PDB_CCD_ID,LIGAND_SMILES,PROTEIN_SEQUENCE,PROTEIN_PDB_PATH,LIGAND_SDF_PATH
7FVX_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_K7C/7FVX_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FVX_K7C/7FVX_K7C_ligand_start_conf.sdf
7EGO_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_X90/7EGO_X90_protein.pdb,posex_set/posex_cross_docking_set/7EGO_X90/7EGO_X90_ligand_start_conf.sdf
7HG3_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_A1A34/7HG3_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HG3_A1A34/7HG3_A1A34_ligand_start_conf.sdf
7RGY_5BI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGY_5BI/7RGY_5BI_protein.pdb,posex_set/posex_cross_docking_set/7RGY_5BI/7RGY_5BI_ligand_start_conf.sdf
8PQ9_9KI,COC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQ9_9KI/8PQ9_9KI_protein.pdb,posex_set/posex_cross_docking_set/8PQ9_9KI/8PQ9_9KI_ligand_start_conf.sdf
7GLA_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_X77/7GLA_X77_protein.pdb,posex_set/posex_cross_docking_set/7GLA_X77/7GLA_X77_ligand_start_conf.sdf
8QTJ_A1IEW,C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTJ_A1IEW/8QTJ_A1IEW_protein.pdb,posex_set/posex_cross_docking_set/8QTJ_A1IEW/8QTJ_A1IEW_ligand_start_conf.sdf
7HGE_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_ZQD/7HGE_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HGE_ZQD/7HGE_ZQD_ligand_start_conf.sdf
7NGW_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_UAK/7NGW_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGW_UAK/7NGW_UAK_ligand_start_conf.sdf
8CHN_A1H78,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(N)=O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8CHN_A1H78/8CHN_A1H78_protein.pdb,posex_set/posex_cross_docking_set/8CHN_A1H78/8CHN_A1H78_ligand_start_conf.sdf
7GZV_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1AK5/7GZV_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1AK5/7GZV_A1AK5_ligand_start_conf.sdf
8BM8_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_R0O/8BM8_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BM8_R0O/8BM8_R0O_ligand_start_conf.sdf
7FUQ_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YUB/7FUQ_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YUB/7FUQ_YUB_ligand_start_conf.sdf
7UR3_ADE,Nc1ncnc2[nH]cnc12,MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT,posex_set/posex_cross_docking_set/7UR3_ADE/7UR3_ADE_protein.pdb,posex_set/posex_cross_docking_set/7UR3_ADE/7UR3_ADE_ligand_start_conf.sdf
7FCX_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_4I1/7FCX_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FCX_4I1/7FCX_4I1_ligand_start_conf.sdf
7HGB_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_TU6/7HGB_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HGB_TU6/7HGB_TU6_ligand_start_conf.sdf
9CE4_UU6,CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)C1,PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK,posex_set/posex_cross_docking_set/9CE4_UU6/9CE4_UU6_protein.pdb,posex_set/posex_cross_docking_set/9CE4_UU6/9CE4_UU6_ligand_start_conf.sdf
7GLF_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_KG9/7GLF_KG9_protein.pdb,posex_set/posex_cross_docking_set/7GLF_KG9/7GLF_KG9_ligand_start_conf.sdf
7UU0_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_7UM/7UU0_7UM_protein.pdb,posex_set/posex_cross_docking_set/7UU0_7UM/7UU0_7UM_ligand_start_conf.sdf
7BC9_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_AXV/7BC9_AXV_protein.pdb,posex_set/posex_cross_docking_set/7BC9_AXV/7BC9_AXV_ligand_start_conf.sdf
8SIX_UU6,CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)C1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIX_UU6/8SIX_UU6_protein.pdb,posex_set/posex_cross_docking_set/8SIX_UU6/8SIX_UU6_ligand_start_conf.sdf
8JM7_PEG,OCCOCCO,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASVLPFSTPLFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM7_PEG/8JM7_PEG_protein.pdb,posex_set/posex_cross_docking_set/8JM7_PEG/8JM7_PEG_ligand_start_conf.sdf
8V6W_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YI8/8V6W_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YI8/8V6W_YI8_ligand_start_conf.sdf
7V13_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OQ6/7V13_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V13_OQ6/7V13_OQ6_ligand_start_conf.sdf
7PHZ_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_S1U/7PHZ_S1U_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_S1U/7PHZ_S1U_ligand_start_conf.sdf
7FDT_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_4I1/7FDT_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FDT_4I1/7FDT_4I1_ligand_start_conf.sdf
8GFD_UL6,CC(=O)N[C@H]1[C@H](OC[C@@H]2COCCO2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFD_UL6/8GFD_UL6_protein.pdb,posex_set/posex_cross_docking_set/8GFD_UL6/8GFD_UL6_ligand_start_conf.sdf
8GF0_UL6,CC(=O)N[C@H]1[C@H](OC[C@@H]2COCCO2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF0_UL6/8GF0_UL6_protein.pdb,posex_set/posex_cross_docking_set/8GF0_UL6/8GF0_UL6_ligand_start_conf.sdf
7RH1_59O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH1_59O/7RH1_59O_protein.pdb,posex_set/posex_cross_docking_set/7RH1_59O/7RH1_59O_ligand_start_conf.sdf
7LDY_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_A61/7LDY_A61_protein.pdb,posex_set/posex_cross_docking_set/7LDY_A61/7LDY_A61_ligand_start_conf.sdf
7ENZ_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_37T/7ENZ_37T_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_37T/7ENZ_37T_ligand_start_conf.sdf
7GZZ_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1AK4/7GZZ_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1AK4/7GZZ_A1AK4_ligand_start_conf.sdf
8RDT_MW6,Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDT_MW6/8RDT_MW6_protein.pdb,posex_set/posex_cross_docking_set/8RDT_MW6/8RDT_MW6_ligand_start_conf.sdf
8E80_UU6,CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)C1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E80_UU6/8E80_UU6_protein.pdb,posex_set/posex_cross_docking_set/8E80_UU6/8E80_UU6_ligand_start_conf.sdf
7V13_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OR0/7V13_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V13_OR0/7V13_OR0_ligand_start_conf.sdf
8I65_ORO,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I65_ORO/8I65_ORO_protein.pdb,posex_set/posex_cross_docking_set/8I65_ORO/8I65_ORO_ligand_start_conf.sdf
7SI4_9L0,Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C#N)nc23)n(C)n1,DAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR,posex_set/posex_cross_docking_set/7SI4_9L0/7SI4_9L0_protein.pdb,posex_set/posex_cross_docking_set/7SI4_9L0/7SI4_9L0_ligand_start_conf.sdf
7FUB_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YME/7FUB_YME_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YME/7FUB_YME_ligand_start_conf.sdf
7GLA_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_SQ5/7GLA_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7GLA_SQ5/7GLA_SQ5_ligand_start_conf.sdf
8BM2_2V9,C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BM2_2V9/8BM2_2V9_protein.pdb,posex_set/posex_cross_docking_set/8BM2_2V9/8BM2_2V9_ligand_start_conf.sdf
7V12_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_OTL/7V12_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V12_OTL/7V12_OTL_ligand_start_conf.sdf
7LDZ_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_K2D/7LDZ_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_K2D/7LDZ_K2D_ligand_start_conf.sdf
7FW7_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_IQH/7FW7_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FW7_IQH/7FW7_IQH_ligand_start_conf.sdf
7Q5O_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_7UM/7Q5O_7UM_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_7UM/7Q5O_7UM_ligand_start_conf.sdf
7USH_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_O6O/7USH_O6O_protein.pdb,posex_set/posex_cross_docking_set/7USH_O6O/7USH_O6O_ligand_start_conf.sdf
7HG8_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_EJQ/7HG8_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HG8_EJQ/7HG8_EJQ_ligand_start_conf.sdf
8FO5_Y4Q,CC1=NC(NN/C=C/Cc2ccccc2[N+](=O)[O-])=NC(=O)C1,QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS,posex_set/posex_cross_docking_set/8FO5_Y4Q/8FO5_Y4Q_protein.pdb,posex_set/posex_cross_docking_set/8FO5_Y4Q/8FO5_Y4Q_ligand_start_conf.sdf
9FY5_NUX,CCC(F)(F)C(=O)C[S@@](=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/9FY5_NUX/9FY5_NUX_protein.pdb,posex_set/posex_cross_docking_set/9FY5_NUX/9FY5_NUX_ligand_start_conf.sdf
8BIN_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_QJI/8BIN_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BIN_QJI/8BIN_QJI_ligand_start_conf.sdf
7GZW_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1ALR/7GZW_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1ALR/7GZW_A1ALR_ligand_start_conf.sdf
7FVW_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_IWI/7FVW_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FVW_IWI/7FVW_IWI_ligand_start_conf.sdf
7B2U_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_R8X/7B2U_R8X_protein.pdb,posex_set/posex_cross_docking_set/7B2U_R8X/7B2U_R8X_ligand_start_conf.sdf
7XFA_5BI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7XFA_5BI/7XFA_5BI_protein.pdb,posex_set/posex_cross_docking_set/7XFA_5BI/7XFA_5BI_ligand_start_conf.sdf
8V74_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YIB/8V74_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V74_YIB/8V74_YIB_ligand_start_conf.sdf
7EGO_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_4I6/7EGO_4I6_protein.pdb,posex_set/posex_cross_docking_set/7EGO_4I6/7EGO_4I6_ligand_start_conf.sdf
7USG_LDR,O=c1[nH]c2ccccc2c2ccccc12,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_LDR/7USG_LDR_protein.pdb,posex_set/posex_cross_docking_set/7USG_LDR/7USG_LDR_ligand_start_conf.sdf
8JV1_BET,C[N+](C)(C)CC(=O)O,MGAVTVVSWGGAYTESQKLGYGDPTAAKLGIPVNWVDYTGGLSEIKAQKEAGAITWDIMDVYAKDTIIGCDEGIFHEFDFDKDFLPAPDGTPASQDFFTSMPSKCAVGNILYSWNFAYNDAKIGDKKPKSIKDFFNTKKFPGKRAIYKGAMSNLEIALVADGVKASGAQAGGDLLYRKMEGAGIDRALAKIKKLCTDPNGGCVFWNAGAQPPELLANGEVVMATGWNGRFFNAQMEGTPLVQVWDAQILDYEYFALVKDGPGYADGSAMKVLAEMTSTEGLAGSAKYIAYAPWRKSSIAIMEAGEPWFKDGKTNMVPHMPTAPSNLKSHILMNPDYWADNQDEINEKWEAMKAGLHHHHHH,posex_set/posex_cross_docking_set/8JV1_BET/8JV1_BET_protein.pdb,posex_set/posex_cross_docking_set/8JV1_BET/8JV1_BET_ligand_start_conf.sdf
8CHN_9QN,O=C1[C@@H]2CCC[C@H]([C@@H](CO)CN1Cc1ccccn1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8CHN_9QN/8CHN_9QN_protein.pdb,posex_set/posex_cross_docking_set/8CHN_9QN/8CHN_9QN_ligand_start_conf.sdf
7XBS_APC,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)C[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,VTADAALEPDERAAWLAYNDTAEDFPGPHLLARLDAVAREHPDRPAVHAVDGVWTYRELHRRADAVAAFLAARGVRPGSVVAIAATRALAPYAALLGVLKAGCAYVPVNPDDPADRVAFVLADAGATPLLLDTDPASLPAAPAPDVPHEPDRVCYVIYTSGSTGRPKGVVMAERAVDNLTHWVVRRHDVRPDDRLGQTAPLTFDPSVQQVFPAWATGACLVTVPDDVQRDPAAFLDWLRAERVTHLDLVTSHWVHLLNAAEARPAELPDLRWIIIGGETYYYHQTHRWHRVVSSPARLNTIYGPTEAAVNATEHLTEPDLDHGQVPIGVPLPNYRLYALDDDGRLCPPGITGEIHIAGAGLARGYRSAEATAKAFHELEVHSGRTERLYRTGDLARLVRHADRWALEFQGRVDSQVKISGYRVELEEVDAAVKAVPGVRDAAVVVRGEPAEQLVCCYVGDVPPDRLRSRLTERLPAYLVPHLLVPVEALPFTRNGKMDTAELAELVRRFARDS,posex_set/posex_cross_docking_set/7XBS_APC/7XBS_APC_protein.pdb,posex_set/posex_cross_docking_set/7XBS_APC/7XBS_APC_ligand_start_conf.sdf
5SB1_1IF,Nc1ccc(C#Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB1_1IF/5SB1_1IF_protein.pdb,posex_set/posex_cross_docking_set/5SB1_1IF/5SB1_1IF_ligand_start_conf.sdf
5SAU_1K2,O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAU_1K2/5SAU_1K2_protein.pdb,posex_set/posex_cross_docking_set/5SAU_1K2/5SAU_1K2_ligand_start_conf.sdf
8GEZ_ZHR,CC(=O)N[C@H]1[C@H](OCCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GEZ_ZHR/8GEZ_ZHR_protein.pdb,posex_set/posex_cross_docking_set/8GEZ_ZHR/8GEZ_ZHR_ligand_start_conf.sdf
7GZV_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1ALS/7GZV_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1ALS/7GZV_A1ALS_ligand_start_conf.sdf
9C1R_5IE,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c(F)c2)CC1,MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH,posex_set/posex_cross_docking_set/9C1R_5IE/9C1R_5IE_protein.pdb,posex_set/posex_cross_docking_set/9C1R_5IE/9C1R_5IE_ligand_start_conf.sdf
8GD2_ZE2,COc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)c2c1CCCC2,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GD2_ZE2/8GD2_ZE2_protein.pdb,posex_set/posex_cross_docking_set/8GD2_ZE2/8GD2_ZE2_ligand_start_conf.sdf
8R5K_9QN,O=C1[C@@H]2CCC[C@H]([C@@H](CO)CN1Cc1ccccn1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8R5K_9QN/8R5K_9QN_protein.pdb,posex_set/posex_cross_docking_set/8R5K_9QN/8R5K_9QN_ligand_start_conf.sdf
7XFA_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7XFA_57I/7XFA_57I_protein.pdb,posex_set/posex_cross_docking_set/7XFA_57I/7XFA_57I_ligand_start_conf.sdf
7GZY_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1AK4/7GZY_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1AK4/7GZY_A1AK4_ligand_start_conf.sdf
7GQS_ACP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O,MNEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHGGRLEVLFQ,posex_set/posex_cross_docking_set/7GQS_ACP/7GQS_ACP_protein.pdb,posex_set/posex_cross_docking_set/7GQS_ACP/7GQS_ACP_ligand_start_conf.sdf
8V70_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YIG/8V70_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V70_YIG/8V70_YIG_ligand_start_conf.sdf
7BC9_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_T3N/7BC9_T3N_protein.pdb,posex_set/posex_cross_docking_set/7BC9_T3N/7BC9_T3N_ligand_start_conf.sdf
7FBF_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_ELA/7FBF_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FBF_ELA/7FBF_ELA_ligand_start_conf.sdf
7R7R_NRR,CN(C)/C=C\C(=O)c1ccc2[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc3c2c1,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7R_NRR/7R7R_NRR_protein.pdb,posex_set/posex_cross_docking_set/7R7R_NRR/7R7R_NRR_ligand_start_conf.sdf
7LE4_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_065/7LE4_065_protein.pdb,posex_set/posex_cross_docking_set/7LE4_065/7LE4_065_ligand_start_conf.sdf
7VS1_LDR,O=c1[nH]c2ccccc2c2ccccc12,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_LDR/7VS1_LDR_protein.pdb,posex_set/posex_cross_docking_set/7VS1_LDR/7VS1_LDR_ligand_start_conf.sdf
7M9G_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_065/7M9G_065_protein.pdb,posex_set/posex_cross_docking_set/7M9G_065/7M9G_065_ligand_start_conf.sdf
7B8M_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_AXV/7B8M_AXV_protein.pdb,posex_set/posex_cross_docking_set/7B8M_AXV/7B8M_AXV_ligand_start_conf.sdf
8FO4_Y4U,CC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1,QSALTQPPSASGSPGQSVTISCTGTSSDVGGSDSVSWYQQHPGKAPKLIIYEVSQRPSGVPNRFSGSKSGNTASLTVSGLQAEDDADYYCSSYGGDNNLFFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS,posex_set/posex_cross_docking_set/8FO4_Y4U/8FO4_Y4U_protein.pdb,posex_set/posex_cross_docking_set/8FO4_Y4U/8FO4_Y4U_ligand_start_conf.sdf
8V71_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YHN/8V71_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V71_YHN/8V71_YHN_ligand_start_conf.sdf
7XFA_5EI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1,MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7XFA_5EI/7XFA_5EI_protein.pdb,posex_set/posex_cross_docking_set/7XFA_5EI/7XFA_5EI_ligand_start_conf.sdf
5SFB_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_IZ6/5SFB_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SFB_IZ6/5SFB_IZ6_ligand_start_conf.sdf
7VS1_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_8M6/7VS1_8M6_protein.pdb,posex_set/posex_cross_docking_set/7VS1_8M6/7VS1_8M6_ligand_start_conf.sdf
8ZU2_A1D82,Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ,posex_set/posex_cross_docking_set/8ZU2_A1D82/8ZU2_A1D82_protein.pdb,posex_set/posex_cross_docking_set/8ZU2_A1D82/8ZU2_A1D82_ligand_start_conf.sdf
7HG3_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_VZP/7HG3_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HG3_VZP/7HG3_VZP_ligand_start_conf.sdf
8V71_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YJQ/8V71_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V71_YJQ/8V71_YJQ_ligand_start_conf.sdf
8BOD_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_QU6/8BOD_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BOD_QU6/8BOD_QU6_ligand_start_conf.sdf
8S7F_VQ9,CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)S(C)(=O)=O,MATLFIADLHLCAEEPAITAGFLRFLAGEARKADALYILGDLFEAWIGDDDPNPLHHQMAAAIKAVSDSGVPCYFIHGNRDFLLGKRFARESGMTLLPEEKVLELYGRRVLIMHGDTLCTDDAGYQAFRAKVHKPWLQTLFLALPLFVRKRIAARMRANSKEANSSKSLAIMDVNQNAVVSAMEKHQVQWLIHGHTHRPAVHELIANQQTAFRVVLGAWHTEGSMVKVTADDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8S7F_VQ9/8S7F_VQ9_protein.pdb,posex_set/posex_cross_docking_set/8S7F_VQ9/8S7F_VQ9_ligand_start_conf.sdf
7BKU_U1E,CN(C)c1cccc2cccc(N(C)C)c12,STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK,posex_set/posex_cross_docking_set/7BKU_U1E/7BKU_U1E_protein.pdb,posex_set/posex_cross_docking_set/7BKU_U1E/7BKU_U1E_ligand_start_conf.sdf
7Q6V_93L,Cc1nnc2c(NC3CCN(C)CC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6V_93L/7Q6V_93L_protein.pdb,posex_set/posex_cross_docking_set/7Q6V_93L/7Q6V_93L_ligand_start_conf.sdf
7GZX_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1AK7/7GZX_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1AK7/7GZX_A1AK7_ligand_start_conf.sdf
8QQY_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QT1/8QQY_QT1_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QT1/8QQY_QT1_ligand_start_conf.sdf
7V17_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_ORU/7V17_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V17_ORU/7V17_ORU_ligand_start_conf.sdf
7S85_88O,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S85_88O/7S85_88O_protein.pdb,posex_set/posex_cross_docking_set/7S85_88O/7S85_88O_ligand_start_conf.sdf
8I6A_BR8,O=C1CC(=O)NC(=O)N1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6A_BR8/8I6A_BR8_protein.pdb,posex_set/posex_cross_docking_set/8I6A_BR8/8I6A_BR8_ligand_start_conf.sdf
8OHT_VGO,O=C(O)[C@H]1CNCC(O)(O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHT_VGO/8OHT_VGO_protein.pdb,posex_set/posex_cross_docking_set/8OHT_VGO/8OHT_VGO_ligand_start_conf.sdf
8QK5_VTF,Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QK5_VTF/8QK5_VTF_protein.pdb,posex_set/posex_cross_docking_set/8QK5_VTF/8QK5_VTF_ligand_start_conf.sdf
7FVW_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_IUT/7FVW_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FVW_IUT/7FVW_IUT_ligand_start_conf.sdf
7LE6_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_K2E/7LE6_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LE6_K2E/7LE6_K2E_ligand_start_conf.sdf
8V6W_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YHS/8V6W_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YHS/8V6W_YHS_ligand_start_conf.sdf
7Q8Z_9IV,Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q8Z_9IV/7Q8Z_9IV_protein.pdb,posex_set/posex_cross_docking_set/7Q8Z_9IV/7Q8Z_9IV_ligand_start_conf.sdf
9CE4_ZXP,C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O,PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK,posex_set/posex_cross_docking_set/9CE4_ZXP/9CE4_ZXP_protein.pdb,posex_set/posex_cross_docking_set/9CE4_ZXP/9CE4_ZXP_ligand_start_conf.sdf
7ENZ_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_7UM/7ENZ_7UM_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_7UM/7ENZ_7UM_ligand_start_conf.sdf
8CQH_SFG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,SGGGRGRMLGEMWKAQLNQLTRQEFMEYRRDGIIEVDRSAARKARREGNVTGGHPVSRGTAKLRWMVERGFVKPHGKVIDLGCGRGGWSYYCATLKLVQEVKGYTKGGPGHEEPVMMQSYGWNLVSLKSGVDVFYRPSEQSDTLLCDIGEASPVPEIEEARTVKVLQMVEEWLSRGVEDFCVKILCPYMPKVLKELEKMQLRWGGGLIRVPLSRNSNHEMYWVSGASGNITNSVNTVSQMLINRMNRTNRNGPKYEEDVHLGSGTRAV,posex_set/posex_cross_docking_set/8CQH_SFG/8CQH_SFG_protein.pdb,posex_set/posex_cross_docking_set/8CQH_SFG/8CQH_SFG_ligand_start_conf.sdf
9EY3_Y6Z,C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY3_Y6Z/9EY3_Y6Z_protein.pdb,posex_set/posex_cross_docking_set/9EY3_Y6Z/9EY3_Y6Z_ligand_start_conf.sdf
9F95_A1IAY,Nc1ccc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F95_A1IAY/9F95_A1IAY_protein.pdb,posex_set/posex_cross_docking_set/9F95_A1IAY/9F95_A1IAY_ligand_start_conf.sdf
7GL3_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_X77/7GL3_X77_protein.pdb,posex_set/posex_cross_docking_set/7GL3_X77/7GL3_X77_ligand_start_conf.sdf
7BKW_PHN,c1cnc2c(c1)ccc1cccnc12,STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK,posex_set/posex_cross_docking_set/7BKW_PHN/7BKW_PHN_protein.pdb,posex_set/posex_cross_docking_set/7BKW_PHN/7BKW_PHN_ligand_start_conf.sdf
8GZC_6TI,COc1ccc(C2(C(=O)N3CCC[C@@H]3C(=O)Nc3cccc4[nH]ncc34)CCCC2)cc1,GPSLGYCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNEIQGESVSLGDDPSQPQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQDRF,posex_set/posex_cross_docking_set/8GZC_6TI/8GZC_6TI_protein.pdb,posex_set/posex_cross_docking_set/8GZC_6TI/8GZC_6TI_ligand_start_conf.sdf
7RGY_5A4,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGY_5A4/7RGY_5A4_protein.pdb,posex_set/posex_cross_docking_set/7RGY_5A4/7RGY_5A4_ligand_start_conf.sdf
7EGO_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_4I1/7EGO_4I1_protein.pdb,posex_set/posex_cross_docking_set/7EGO_4I1/7EGO_4I1_ligand_start_conf.sdf
8B5G_LDR,O=c1[nH]c2ccccc2c2ccccc12,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_LDR/8B5G_LDR_protein.pdb,posex_set/posex_cross_docking_set/8B5G_LDR/8B5G_LDR_ligand_start_conf.sdf
8BPW_QQC,Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BPW_QQC/8BPW_QQC_protein.pdb,posex_set/posex_cross_docking_set/8BPW_QQC/8BPW_QQC_ligand_start_conf.sdf
7FUB_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YMO/7FUB_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YMO/7FUB_YMO_ligand_start_conf.sdf
7B9D_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_GQM/7B9D_GQM_protein.pdb,posex_set/posex_cross_docking_set/7B9D_GQM/7B9D_GQM_ligand_start_conf.sdf
8V72_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YJQ/8V72_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V72_YJQ/8V72_YJQ_ligand_start_conf.sdf
7GZV_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1AK6/7GZV_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1AK6/7GZV_A1AK6_ligand_start_conf.sdf
8BAJ_Y6Z,C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8BAJ_Y6Z/8BAJ_Y6Z_protein.pdb,posex_set/posex_cross_docking_set/8BAJ_Y6Z/8BAJ_Y6Z_ligand_start_conf.sdf
7NGM_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_UBN/7NGM_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGM_UBN/7NGM_UBN_ligand_start_conf.sdf
7USH_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_P4M/7USH_P4M_protein.pdb,posex_set/posex_cross_docking_set/7USH_P4M/7USH_P4M_ligand_start_conf.sdf
7V16_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_OSX/7V16_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V16_OSX/7V16_OSX_ligand_start_conf.sdf
7B98_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_SWT/7B98_SWT_protein.pdb,posex_set/posex_cross_docking_set/7B98_SWT/7B98_SWT_ligand_start_conf.sdf
5SB1_1IJ,Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB1_1IJ/5SB1_1IJ_protein.pdb,posex_set/posex_cross_docking_set/5SB1_1IJ/5SB1_1IJ_ligand_start_conf.sdf
8BK0_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_QU6/8BK0_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BK0_QU6/8BK0_QU6_ligand_start_conf.sdf
7B9D_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_SWT/7B9D_SWT_protein.pdb,posex_set/posex_cross_docking_set/7B9D_SWT/7B9D_SWT_ligand_start_conf.sdf
8BA3_Q7F,Cc1ccsc1CN(C)Cc1nc(N)nc(Nc2ccccc2)n1,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAAAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8BA3_Q7F/8BA3_Q7F_protein.pdb,posex_set/posex_cross_docking_set/8BA3_Q7F/8BA3_Q7F_ligand_start_conf.sdf
7GLA_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_KG9/7GLA_KG9_protein.pdb,posex_set/posex_cross_docking_set/7GLA_KG9/7GLA_KG9_ligand_start_conf.sdf
7FU9_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YMI/7FU9_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YMI/7FU9_YMI_ligand_start_conf.sdf
9F95_A1IAV,Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F95_A1IAV/9F95_A1IAV_protein.pdb,posex_set/posex_cross_docking_set/9F95_A1IAV/9F95_A1IAV_ligand_start_conf.sdf
7FJT_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7FJT_SAH/7FJT_SAH_protein.pdb,posex_set/posex_cross_docking_set/7FJT_SAH/7FJT_SAH_ligand_start_conf.sdf
7GLF_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_S1U/7GLF_S1U_protein.pdb,posex_set/posex_cross_docking_set/7GLF_S1U/7GLF_S1U_ligand_start_conf.sdf
7BC9_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_T9Z/7BC9_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7BC9_T9Z/7BC9_T9Z_ligand_start_conf.sdf
7FDT_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_2AN/7FDT_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FDT_2AN/7FDT_2AN_ligand_start_conf.sdf
8SIV_UUF,CC(C)(O)[C@]12CN(c3cc(-n4ncc5ccc(-c6ccn[nH]6)cc54)ncn3)[C@H](C1)C2,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIV_UUF/8SIV_UUF_protein.pdb,posex_set/posex_cross_docking_set/8SIV_UUF/8SIV_UUF_ligand_start_conf.sdf
8GD2_ZDF,CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GD2_ZDF/8GD2_ZDF_protein.pdb,posex_set/posex_cross_docking_set/8GD2_ZDF/8GD2_ZDF_ligand_start_conf.sdf
7NGW_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_UAT/7NGW_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGW_UAT/7NGW_UAT_ligand_start_conf.sdf
7RGZ_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGZ_D9J/7RGZ_D9J_protein.pdb,posex_set/posex_cross_docking_set/7RGZ_D9J/7RGZ_D9J_ligand_start_conf.sdf
7FTI_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YUF/7FTI_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YUF/7FTI_YUF_ligand_start_conf.sdf
8SIV_A1AV4,Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIV_A1AV4/8SIV_A1AV4_protein.pdb,posex_set/posex_cross_docking_set/8SIV_A1AV4/8SIV_A1AV4_ligand_start_conf.sdf
7GZV_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1ALQ/7GZV_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1ALQ/7GZV_A1ALQ_ligand_start_conf.sdf
7FU9_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YUB/7FU9_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YUB/7FU9_YUB_ligand_start_conf.sdf
8U2D_0BG,CN(CCNC(=O)CNc1ccccc1)c1ncnc2[nH]ccc12,GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE,posex_set/posex_cross_docking_set/8U2D_0BG/8U2D_0BG_protein.pdb,posex_set/posex_cross_docking_set/8U2D_0BG/8U2D_0BG_ligand_start_conf.sdf
7FDX_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_4I6/7FDX_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FDX_4I6/7FDX_4I6_ligand_start_conf.sdf
8GFF_UM9,CC(=O)N[C@H]1[C@H](OCC(C)(C)C(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFF_UM9/8GFF_UM9_protein.pdb,posex_set/posex_cross_docking_set/8GFF_UM9/8GFF_UM9_ligand_start_conf.sdf
7RH1_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH1_57I/7RH1_57I_protein.pdb,posex_set/posex_cross_docking_set/7RH1_57I/7RH1_57I_ligand_start_conf.sdf
7FVY_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_GFS/7FVY_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FVY_GFS/7FVY_GFS_ligand_start_conf.sdf
7PJK_A1HZ6,COc1ccccc1C1=NO[C@@]2(CCC(=O)NC2=O)C1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/7PJK_A1HZ6/7PJK_A1HZ6_protein.pdb,posex_set/posex_cross_docking_set/7PJK_A1HZ6/7PJK_A1HZ6_ligand_start_conf.sdf
7ENZ_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_8M6/7ENZ_8M6_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_8M6/7ENZ_8M6_ligand_start_conf.sdf
7GAW_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_R4X/7GAW_R4X_protein.pdb,posex_set/posex_cross_docking_set/7GAW_R4X/7GAW_R4X_ligand_start_conf.sdf
7UR3_N6M,CNc1ncnc2[nH]cnc12,MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT,posex_set/posex_cross_docking_set/7UR3_N6M/7UR3_N6M_protein.pdb,posex_set/posex_cross_docking_set/7UR3_N6M/7UR3_N6M_ligand_start_conf.sdf
7FUQ_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YME/7FUQ_YME_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YME/7FUQ_YME_ligand_start_conf.sdf
8V6W_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YHW/8V6W_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YHW/8V6W_YHW_ligand_start_conf.sdf
8BOM_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_QT1/8BOM_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BOM_QT1/8BOM_QT1_ligand_start_conf.sdf
9EY3_UUI,C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2[S@](=N)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY3_UUI/9EY3_UUI_protein.pdb,posex_set/posex_cross_docking_set/9EY3_UUI/9EY3_UUI_ligand_start_conf.sdf
7XBV_TRS,[NH3+]C(CO)(CO)CO,VTADAALEPDERAAWLAYNDTAEDFPGPHLLARLDAVAREHPDRPAVHAVDGVWTYRELHRRADAVAAFLAARGVRPGSVVAIAATRALAPYAALLGVLKAGCAYVPVNPDDPADRVAFVLADAGATPLLLDTDPASLPAAPAPDVPHEPDRVCYVIYTSGSTGRPKGVVMAERAVDNLTHWVVRRHDVRPDDRLGQTAPLTFDPSVQQVFPAWATGACLVTVPDDVQRDPAAFLDWLRAERVTHLDLVTSHWVHLLNAAEARPAELPDLRWIIIGGETYYYHQTHRWHRVVSSPARLNTIYGPTEAAVNATEHLTEPDLDHGQVPIGVPLPNYRLYALDDDGRLCPPGITGEIHIAGAGLARGYRSAEATAKAFHELEVHSGRTERLYRTGDLARLVRHADRWALEFQGRVDSQVKISGYRVELEEVDAAVKAVPGVRDAAVVVRGEPAEQLVCCYVGDVPPDRLRSRLTERLPAYLVPHLLVPVEALPFTRNGKMDTAELAELVRRFARDS,posex_set/posex_cross_docking_set/7XBV_TRS/7XBV_TRS_protein.pdb,posex_set/posex_cross_docking_set/7XBV_TRS/7XBV_TRS_ligand_start_conf.sdf
8R2B_XN8,COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O,MAHHHHHHRSSTTANKERCLEMVAAWNRWDVSGVVAHWAPDVVHYDDEDKPVSAEEVVRRMNSAVEAFPDLRLDVRSIVGEGDRVMLRITCSATHQGVFMGIAPTGRKVRWTYLEELRFSEAGKVVEHWDVFNFSPLFRDLGVVPDGL,posex_set/posex_cross_docking_set/8R2B_XN8/8R2B_XN8_protein.pdb,posex_set/posex_cross_docking_set/8R2B_XN8/8R2B_XN8_ligand_start_conf.sdf
7FTI_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YUB/7FTI_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YUB/7FTI_YUB_ligand_start_conf.sdf
7USG_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_8M6/7USG_8M6_protein.pdb,posex_set/posex_cross_docking_set/7USG_8M6/7USG_8M6_ligand_start_conf.sdf
7HG1_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_X0S/7HG1_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HG1_X0S/7HG1_X0S_ligand_start_conf.sdf
7VS1_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_P4M/7VS1_P4M_protein.pdb,posex_set/posex_cross_docking_set/7VS1_P4M/7VS1_P4M_ligand_start_conf.sdf
7HGE_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_VZP/7HGE_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HGE_VZP/7HGE_VZP_ligand_start_conf.sdf
7FUQ_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YTU/7FUQ_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YTU/7FUQ_YTU_ligand_start_conf.sdf
7H0B_A1ANI,CCNC(=O)c1cc2c(N[C@H](c3ccc4nc(NC(C)=O)sc4c3)C(C)C)ncnc2[nH]1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0B_A1ANI/7H0B_A1ANI_protein.pdb,posex_set/posex_cross_docking_set/7H0B_A1ANI/7H0B_A1ANI_ligand_start_conf.sdf
8BK0_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_WT3/8BK0_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BK0_WT3/8BK0_WT3_ligand_start_conf.sdf
7LDY_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_XUY/7LDY_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LDY_XUY/7LDY_XUY_ligand_start_conf.sdf
7LE5_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_K20/7LE5_K20_protein.pdb,posex_set/posex_cross_docking_set/7LE5_K20/7LE5_K20_ligand_start_conf.sdf
7RXO_8IQ,O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RXO_8IQ/7RXO_8IQ_protein.pdb,posex_set/posex_cross_docking_set/7RXO_8IQ/7RXO_8IQ_ligand_start_conf.sdf
5SGV_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_K9F/5SGV_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SGV_K9F/5SGV_K9F_ligand_start_conf.sdf
7V1C_SAM,C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7V1C_SAM/7V1C_SAM_protein.pdb,posex_set/posex_cross_docking_set/7V1C_SAM/7V1C_SAM_ligand_start_conf.sdf
7HG8_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_A1A3P/7HG8_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HG8_A1A3P/7HG8_A1A3P_ligand_start_conf.sdf
8QK9_A1H5P,CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1)S(C)(=O)=O,MATLFIADLHLCVEEPAITAGFLRFLAEEARKADALYILGDLFEAWIGDDDPNPLHRQMAAAIKAVSDSGVPCYFIHGNRDFLLGKRFARESGMTLLPEEKVLELYGRRVLIMHGDTLCTDDAGYQAFRAKVHKPWLQMLFLALPLFVRKRIAARMRANSKEANSSKSLAIMDVNQNAVVSAMEKHQVQWLIHGHTHRPAVHELIANQQPAFRVVLGAWHTEGSMVKVTADDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QK9_A1H5P/8QK9_A1H5P_protein.pdb,posex_set/posex_cross_docking_set/8QK9_A1H5P/8QK9_A1H5P_ligand_start_conf.sdf
7FUB_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YUB/7FUB_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YUB/7FUB_YUB_ligand_start_conf.sdf
7LE4_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_A61/7LE4_A61_protein.pdb,posex_set/posex_cross_docking_set/7LE4_A61/7LE4_A61_ligand_start_conf.sdf
7FDX_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_OCA/7FDX_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FDX_OCA/7FDX_OCA_ligand_start_conf.sdf
5SFE_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_IYW/5SFE_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SFE_IYW/5SFE_IYW_ligand_start_conf.sdf
9EY4_A1H70,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(=O)O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY4_A1H70/9EY4_A1H70_protein.pdb,posex_set/posex_cross_docking_set/9EY4_A1H70/9EY4_A1H70_ligand_start_conf.sdf
7USG_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_37T/7USG_37T_protein.pdb,posex_set/posex_cross_docking_set/7USG_37T/7USG_37T_ligand_start_conf.sdf
8B9E_Q8U,Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8B9E_Q8U/8B9E_Q8U_protein.pdb,posex_set/posex_cross_docking_set/8B9E_Q8U/8B9E_Q8U_ligand_start_conf.sdf
7V12_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_ORU/7V12_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V12_ORU/7V12_ORU_ligand_start_conf.sdf
5SB1_1K2,O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB1_1K2/5SB1_1K2_protein.pdb,posex_set/posex_cross_docking_set/5SB1_1K2/5SB1_1K2_ligand_start_conf.sdf
7GL3_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_KG9/7GL3_KG9_protein.pdb,posex_set/posex_cross_docking_set/7GL3_KG9/7GL3_KG9_ligand_start_conf.sdf
7LE0_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_065/7LE0_065_protein.pdb,posex_set/posex_cross_docking_set/7LE0_065/7LE0_065_ligand_start_conf.sdf
9FCD_SAM,C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,GSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGS,posex_set/posex_cross_docking_set/9FCD_SAM/9FCD_SAM_protein.pdb,posex_set/posex_cross_docking_set/9FCD_SAM/9FCD_SAM_ligand_start_conf.sdf
7H0S_A1AMD,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(n1)OCCO2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0S_A1AMD/7H0S_A1AMD_protein.pdb,posex_set/posex_cross_docking_set/7H0S_A1AMD/7H0S_A1AMD_ligand_start_conf.sdf
7H01_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1AK3/7H01_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1AK3/7H01_A1AK3_ligand_start_conf.sdf
7FUO_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YMO/7FUO_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YMO/7FUO_YMO_ligand_start_conf.sdf
8QQY_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_R0O/8QQY_R0O_protein.pdb,posex_set/posex_cross_docking_set/8QQY_R0O/8QQY_R0O_ligand_start_conf.sdf
8QTK_WUI,C[C@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTK_WUI/8QTK_WUI_protein.pdb,posex_set/posex_cross_docking_set/8QTK_WUI/8QTK_WUI_ligand_start_conf.sdf
7PJK_MW6,Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/7PJK_MW6/7PJK_MW6_protein.pdb,posex_set/posex_cross_docking_set/7PJK_MW6/7PJK_MW6_ligand_start_conf.sdf
7FW7_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_GFS/7FW7_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FW7_GFS/7FW7_GFS_ligand_start_conf.sdf
7V14_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_ORF/7V14_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V14_ORF/7V14_ORF_ligand_start_conf.sdf
8V70_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YHE/8V70_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V70_YHE/8V70_YHE_ligand_start_conf.sdf
7FU0_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YMO/7FU0_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YMO/7FU0_YMO_ligand_start_conf.sdf
8FX0_IMU,Nc1nc2c([C@@H]3N[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1,MISSQQAMVHVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPLSHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVDFLRVASYRGTSSTNKMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPATLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIFTLRPGEARRYPAHL,posex_set/posex_cross_docking_set/8FX0_IMU/8FX0_IMU_protein.pdb,posex_set/posex_cross_docking_set/8FX0_IMU/8FX0_IMU_ligand_start_conf.sdf
7ENZ_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_O6O/7ENZ_O6O_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_O6O/7ENZ_O6O_ligand_start_conf.sdf
8OHU_VON,O=C(O)[C@H]1CN[C@H](O)[C@@H](O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHU_VON/8OHU_VON_protein.pdb,posex_set/posex_cross_docking_set/8OHU_VON/8OHU_VON_ligand_start_conf.sdf
8V6Y_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YHS/8V6Y_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YHS/8V6Y_YHS_ligand_start_conf.sdf
8IVS_1TB,COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1,METDNVELAQSKRKVVLAEQGSFYIGGRTVTGPGKFDPSKPVIPYSNEGATFYINQMYVNFQAPVRPRGLPLVFWHGGGLTGHIWESTPDGRPGFQTLFVQDRHTVYTIDQPGRGRGNIPTFNGPFGQLEEESIVNTVTGNSSKEGAWVRDRLGPAPGQFFENSQFPRGYEDNYFKEMGFSPSISSDEIVDAVVKLVTHIGPCVLVTHAASGVLGMRVATHAKNVRGIVAYEPATSIFPKGKVPEIPPLADKKSQIFPPFEIQESYFKKLAKIPIQFVFGDNIPKNPKSAYWFLDWWRVTRYAHSLSLEAINKLGGQASLLDLPTAGLRGNTAFPFTDRNNVQVASLLSDFLGKHGLDQNESLEHHHHHH,posex_set/posex_cross_docking_set/8IVS_1TB/8IVS_1TB_protein.pdb,posex_set/posex_cross_docking_set/8IVS_1TB/8IVS_1TB_ligand_start_conf.sdf
7S98_ADE,Nc1ncnc2[nH]cnc12,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S98_ADE/7S98_ADE_protein.pdb,posex_set/posex_cross_docking_set/7S98_ADE/7S98_ADE_ligand_start_conf.sdf
7RWF_88O,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12,FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RWF_88O/7RWF_88O_protein.pdb,posex_set/posex_cross_docking_set/7RWF_88O/7RWF_88O_ligand_start_conf.sdf
5SFB_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_IYW/5SFB_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SFB_IYW/5SFB_IYW_ligand_start_conf.sdf
7VRQ_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_O6O/7VRQ_O6O_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_O6O/7VRQ_O6O_ligand_start_conf.sdf
5SMG_LPU,CS(=O)(=O)N1CCC(O)CC1,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SMG_LPU/5SMG_LPU_protein.pdb,posex_set/posex_cross_docking_set/5SMG_LPU/5SMG_LPU_ligand_start_conf.sdf
7ZGZ_IVG,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZGZ_IVG/7ZGZ_IVG_protein.pdb,posex_set/posex_cross_docking_set/7ZGZ_IVG/7ZGZ_IVG_ligand_start_conf.sdf
7GNL_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_KG9/7GNL_KG9_protein.pdb,posex_set/posex_cross_docking_set/7GNL_KG9/7GNL_KG9_ligand_start_conf.sdf
7NGG_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UBQ/7NGG_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UBQ/7NGG_UBQ_ligand_start_conf.sdf
7NEO_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_R8X/7NEO_R8X_protein.pdb,posex_set/posex_cross_docking_set/7NEO_R8X/7NEO_R8X_ligand_start_conf.sdf
8E80_ZXP,C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E80_ZXP/8E80_ZXP_protein.pdb,posex_set/posex_cross_docking_set/8E80_ZXP/8E80_ZXP_ligand_start_conf.sdf
7NGJ_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_UBQ/7NGJ_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_UBQ/7NGJ_UBQ_ligand_start_conf.sdf
8QTK_WUQ,Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTK_WUQ/8QTK_WUQ_protein.pdb,posex_set/posex_cross_docking_set/8QTK_WUQ/8QTK_WUQ_ligand_start_conf.sdf
8V6W_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YJQ/8V6W_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YJQ/8V6W_YJQ_ligand_start_conf.sdf
7LE2_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_K2D/7LE2_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LE2_K2D/7LE2_K2D_ligand_start_conf.sdf
7OF8_T6I,Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/7OF8_T6I/7OF8_T6I_protein.pdb,posex_set/posex_cross_docking_set/7OF8_T6I/7OF8_T6I_ligand_start_conf.sdf
7FVU_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_IZ7/7FVU_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FVU_IZ7/7FVU_IZ7_ligand_start_conf.sdf
7V3S_A1ATS,Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3S_A1ATS/7V3S_A1ATS_protein.pdb,posex_set/posex_cross_docking_set/7V3S_A1ATS/7V3S_A1ATS_ligand_start_conf.sdf
9EY3_A1H78,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(N)=O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY3_A1H78/9EY3_A1H78_protein.pdb,posex_set/posex_cross_docking_set/9EY3_A1H78/9EY3_A1H78_ligand_start_conf.sdf
8IXS_SIU,Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IXS_SIU/8IXS_SIU_protein.pdb,posex_set/posex_cross_docking_set/8IXS_SIU/8IXS_SIU_ligand_start_conf.sdf
8V6Y_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YJQ/8V6Y_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YJQ/8V6Y_YJQ_ligand_start_conf.sdf
9GIC_A1ILR,N[C@H](CNC(=O)C1=[SH]CC=C1)C(=O)O,MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR,posex_set/posex_cross_docking_set/9GIC_A1ILR/9GIC_A1ILR_protein.pdb,posex_set/posex_cross_docking_set/9GIC_A1ILR/9GIC_A1ILR_ligand_start_conf.sdf
9FCL_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,GSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGS,posex_set/posex_cross_docking_set/9FCL_SAH/9FCL_SAH_protein.pdb,posex_set/posex_cross_docking_set/9FCL_SAH/9FCL_SAH_ligand_start_conf.sdf
7VKZ_7OU,O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,MKPHNSEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAGFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENKLEHHHHHH,posex_set/posex_cross_docking_set/7VKZ_7OU/7VKZ_7OU_protein.pdb,posex_set/posex_cross_docking_set/7VKZ_7OU/7VKZ_7OU_ligand_start_conf.sdf
5SNO_V60,CC(C)CNC(=O)c1cc[nH]n1,MSRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFAD,posex_set/posex_cross_docking_set/5SNO_V60/5SNO_V60_protein.pdb,posex_set/posex_cross_docking_set/5SNO_V60/5SNO_V60_ligand_start_conf.sdf
7GL3_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_R7F/7GL3_R7F_protein.pdb,posex_set/posex_cross_docking_set/7GL3_R7F/7GL3_R7F_ligand_start_conf.sdf
8BK0_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_QTX/8BK0_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BK0_QTX/8BK0_QTX_ligand_start_conf.sdf
7YY0_QX4,Cc1ccc2oc(=O)cc(O)c2c1,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YY0_QX4/7YY0_QX4_protein.pdb,posex_set/posex_cross_docking_set/7YY0_QX4/7YY0_QX4_ligand_start_conf.sdf
7RH0_5EI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH0_5EI/7RH0_5EI_protein.pdb,posex_set/posex_cross_docking_set/7RH0_5EI/7RH0_5EI_ligand_start_conf.sdf
7V1C_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7V1C_SAH/7V1C_SAH_protein.pdb,posex_set/posex_cross_docking_set/7V1C_SAH/7V1C_SAH_ligand_start_conf.sdf
8V73_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YJQ/8V73_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V73_YJQ/8V73_YJQ_ligand_start_conf.sdf
7HG8_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_A1A34/7HG8_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HG8_A1A34/7HG8_A1A34_ligand_start_conf.sdf
9C1R_5I9,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)CC1,MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH,posex_set/posex_cross_docking_set/9C1R_5I9/9C1R_5I9_protein.pdb,posex_set/posex_cross_docking_set/9C1R_5I9/9C1R_5I9_ligand_start_conf.sdf
8J5E_TV0,Nc1ccn([C@@H]2S[C@@](O)(CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5E_TV0/8J5E_TV0_protein.pdb,posex_set/posex_cross_docking_set/8J5E_TV0/8J5E_TV0_ligand_start_conf.sdf
7FDX_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_6NA/7FDX_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FDX_6NA/7FDX_6NA_ligand_start_conf.sdf
7FW3_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_IWI/7FW3_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FW3_IWI/7FW3_IWI_ligand_start_conf.sdf
7V16_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_ORF/7V16_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V16_ORF/7V16_ORF_ligand_start_conf.sdf
7V16_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_OR0/7V16_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V16_OR0/7V16_OR0_ligand_start_conf.sdf
8B5G_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_82V/8B5G_82V_protein.pdb,posex_set/posex_cross_docking_set/8B5G_82V/8B5G_82V_ligand_start_conf.sdf
7VL1_7OU,O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK,posex_set/posex_cross_docking_set/7VL1_7OU/7VL1_7OU_protein.pdb,posex_set/posex_cross_docking_set/7VL1_7OU/7VL1_7OU_ligand_start_conf.sdf
8RDS_A1HZ2,COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDS_A1HZ2/8RDS_A1HZ2_protein.pdb,posex_set/posex_cross_docking_set/8RDS_A1HZ2/8RDS_A1HZ2_ligand_start_conf.sdf
5SGW_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_IYW/5SGW_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SGW_IYW/5SGW_IYW_ligand_start_conf.sdf
7V12_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_OQO/7V12_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V12_OQO/7V12_OQO_ligand_start_conf.sdf
7V17_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_OSX/7V17_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V17_OSX/7V17_OSX_ligand_start_conf.sdf
7USG_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_P4M/7USG_P4M_protein.pdb,posex_set/posex_cross_docking_set/7USG_P4M/7USG_P4M_ligand_start_conf.sdf
7V12_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_OQ6/7V12_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V12_OQ6/7V12_OQ6_ligand_start_conf.sdf
7GCE_LJ0,Cc1ccncc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCE_LJ0/7GCE_LJ0_protein.pdb,posex_set/posex_cross_docking_set/7GCE_LJ0/7GCE_LJ0_ligand_start_conf.sdf
7LDY_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_NF7/7LDY_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LDY_NF7/7LDY_NF7_ligand_start_conf.sdf
8BM8_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_QU6/8BM8_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BM8_QU6/8BM8_QU6_ligand_start_conf.sdf
9F93_A1IAY,Nc1ccc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F93_A1IAY/9F93_A1IAY_protein.pdb,posex_set/posex_cross_docking_set/9F93_A1IAY/9F93_A1IAY_ligand_start_conf.sdf
7FEZ_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_2AN/7FEZ_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_2AN/7FEZ_2AN_ligand_start_conf.sdf
7V14_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OR0/7V14_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V14_OR0/7V14_OR0_ligand_start_conf.sdf
8OHV_VGO,O=C(O)[C@H]1CNCC(O)(O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHV_VGO/8OHV_VGO_protein.pdb,posex_set/posex_cross_docking_set/8OHV_VGO/8OHV_VGO_ligand_start_conf.sdf
8ARJ_A1IJ8,CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)cc1C2,GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/8ARJ_A1IJ8/8ARJ_A1IJ8_protein.pdb,posex_set/posex_cross_docking_set/8ARJ_A1IJ8/8ARJ_A1IJ8_ligand_start_conf.sdf
8BIN_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_WT3/8BIN_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BIN_WT3/8BIN_WT3_ligand_start_conf.sdf
8S5B_DO7,CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH,posex_set/posex_cross_docking_set/8S5B_DO7/8S5B_DO7_protein.pdb,posex_set/posex_cross_docking_set/8S5B_DO7/8S5B_DO7_ligand_start_conf.sdf
7FU9_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YME/7FU9_YME_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YME/7FU9_YME_ligand_start_conf.sdf
8BXC_QQC,Cc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)n[nH]1,MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BXC_QQC/8BXC_QQC_protein.pdb,posex_set/posex_cross_docking_set/8BXC_QQC/8BXC_QQC_ligand_start_conf.sdf
7HG3_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_EJQ/7HG3_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HG3_EJQ/7HG3_EJQ_ligand_start_conf.sdf
5SKN_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_IYW/5SKN_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SKN_IYW/5SKN_IYW_ligand_start_conf.sdf
7UU0_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_37T/7UU0_37T_protein.pdb,posex_set/posex_cross_docking_set/7UU0_37T/7UU0_37T_ligand_start_conf.sdf
7HGE_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_A1A3P/7HGE_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HGE_A1A3P/7HGE_A1A3P_ligand_start_conf.sdf
7RGY_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGY_D9J/7RGY_D9J_protein.pdb,posex_set/posex_cross_docking_set/7RGY_D9J/7RGY_D9J_ligand_start_conf.sdf
8OHU_VP5,O=C(O)[C@H]1CNCC(O)(O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHU_VP5/8OHU_VP5_protein.pdb,posex_set/posex_cross_docking_set/8OHU_VP5/8OHU_VP5_ligand_start_conf.sdf
9F93_A1IAW,CCOc1cccc(C(=O)O)c1N,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F93_A1IAW/9F93_A1IAW_protein.pdb,posex_set/posex_cross_docking_set/9F93_A1IAW/9F93_A1IAW_ligand_start_conf.sdf
7USG_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_7UM/7USG_7UM_protein.pdb,posex_set/posex_cross_docking_set/7USG_7UM/7USG_7UM_ligand_start_conf.sdf
8GEZ_ZHE,CC(=O)N[C@H]1[C@H](OCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GEZ_ZHE/8GEZ_ZHE_protein.pdb,posex_set/posex_cross_docking_set/8GEZ_ZHE/8GEZ_ZHE_ligand_start_conf.sdf
9EY4_UUI,C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2[S@](=N)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY4_UUI/9EY4_UUI_protein.pdb,posex_set/posex_cross_docking_set/9EY4_UUI/9EY4_UUI_ligand_start_conf.sdf
8VQ3_A1AC5,CNC(=O)[C@@H](NC(=O)[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)[C@@H](C)OCCC1CCCCC1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL|GSIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKA,posex_set/posex_cross_docking_set/8VQ3_A1AC5/8VQ3_A1AC5_protein.pdb,posex_set/posex_cross_docking_set/8VQ3_A1AC5/8VQ3_A1AC5_ligand_start_conf.sdf
7HG1_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_A1A34/7HG1_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HG1_A1A34/7HG1_A1A34_ligand_start_conf.sdf
7LDY_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_K2E/7LDY_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LDY_K2E/7LDY_K2E_ligand_start_conf.sdf
8JM5_FQ6,O=Cc1ccc2c(c1)COCO2,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASVLPFSTPLFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM5_FQ6/8JM5_FQ6_protein.pdb,posex_set/posex_cross_docking_set/8JM5_FQ6/8JM5_FQ6_ligand_start_conf.sdf
7RXO_88O,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RXO_88O/7RXO_88O_protein.pdb,posex_set/posex_cross_docking_set/7RXO_88O/7RXO_88O_ligand_start_conf.sdf
7BC9_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_SWT/7BC9_SWT_protein.pdb,posex_set/posex_cross_docking_set/7BC9_SWT/7BC9_SWT_ligand_start_conf.sdf
7NEO_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_X77/7NEO_X77_protein.pdb,posex_set/posex_cross_docking_set/7NEO_X77/7NEO_X77_ligand_start_conf.sdf
7Q5O_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_P4M/7Q5O_P4M_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_P4M/7Q5O_P4M_ligand_start_conf.sdf
8QKA_VTF,Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccccc4N(C)S(C)(=O)=O)cc3)CC2)n1,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QKA_VTF/8QKA_VTF_protein.pdb,posex_set/posex_cross_docking_set/8QKA_VTF/8QKA_VTF_ligand_start_conf.sdf
7LE2_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_A61/7LE2_A61_protein.pdb,posex_set/posex_cross_docking_set/7LE2_A61/7LE2_A61_ligand_start_conf.sdf
7LE0_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_K2E/7LE0_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LE0_K2E/7LE0_K2E_ligand_start_conf.sdf
7FDT_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_OCA/7FDT_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FDT_OCA/7FDT_OCA_ligand_start_conf.sdf
5SB2_1IM,O=C(Cc1cccc(C#Cc2cccnc2)c1)Nc1cccc(C(F)(F)F)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB2_1IM/5SB2_1IM_protein.pdb,posex_set/posex_cross_docking_set/5SB2_1IM/5SB2_1IM_ligand_start_conf.sdf
5SIS_JQL,C[C@@H]1CCCN1C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIS_JQL/5SIS_JQL_protein.pdb,posex_set/posex_cross_docking_set/5SIS_JQL/5SIS_JQL_ligand_start_conf.sdf
7PHZ_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_SQ5/7PHZ_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_SQ5/7PHZ_SQ5_ligand_start_conf.sdf
7B4X_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_T9Q/7B4X_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7B4X_T9Q/7B4X_T9Q_ligand_start_conf.sdf
7Q7I_9I5,COc1cc(-c2ccc(O)cc2)cc2cnc(N)nc12,MHHHHHHDYKDDDDKENLYFQGRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQSIVTHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/7Q7I_9I5/7Q7I_9I5_protein.pdb,posex_set/posex_cross_docking_set/7Q7I_9I5/7Q7I_9I5_ligand_start_conf.sdf
8H7N_WZ0,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1,EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLARITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFDFGSRTAWGQGTQVTVSSGQAGQHHHHHHGAYPYDVPDYAS,posex_set/posex_cross_docking_set/8H7N_WZ0/8H7N_WZ0_protein.pdb,posex_set/posex_cross_docking_set/8H7N_WZ0/8H7N_WZ0_ligand_start_conf.sdf
7FW7_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_KL3/7FW7_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FW7_KL3/7FW7_KL3_ligand_start_conf.sdf
5SFE_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_IZ6/5SFE_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SFE_IZ6/5SFE_IZ6_ligand_start_conf.sdf
7HG7_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_TU6/7HG7_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HG7_TU6/7HG7_TU6_ligand_start_conf.sdf
7S90_94M,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S90_94M/7S90_94M_protein.pdb,posex_set/posex_cross_docking_set/7S90_94M/7S90_94M_ligand_start_conf.sdf
7NGX_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_UBN/7NGX_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGX_UBN/7NGX_UBN_ligand_start_conf.sdf
8CCM_U8O,Nc1nsc2ncccc12,MAHHHHHHMSTSQTVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYPGFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETHQARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGGGDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTEITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVELDDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAERWLAEQD,posex_set/posex_cross_docking_set/8CCM_U8O/8CCM_U8O_protein.pdb,posex_set/posex_cross_docking_set/8CCM_U8O/8CCM_U8O_ligand_start_conf.sdf
8GEM_ZDK,COCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEM_ZDK/8GEM_ZDK_protein.pdb,posex_set/posex_cross_docking_set/8GEM_ZDK/8GEM_ZDK_ligand_start_conf.sdf
7GCJ_LDX,Cc1ccncc1NC(=O)CCc1ccccc1F,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCJ_LDX/7GCJ_LDX_protein.pdb,posex_set/posex_cross_docking_set/7GCJ_LDX/7GCJ_LDX_ligand_start_conf.sdf
8GEZ_UM9,CC(=O)N[C@H]1[C@H](OCC(C)(C)C(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GEZ_UM9/8GEZ_UM9_protein.pdb,posex_set/posex_cross_docking_set/8GEZ_UM9/8GEZ_UM9_ligand_start_conf.sdf
7HG8_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_UWS/7HG8_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HG8_UWS/7HG8_UWS_ligand_start_conf.sdf
8V6Z_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YI8/8V6Z_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YI8/8V6Z_YI8_ligand_start_conf.sdf
7AN6_RDH,C=C(Oc1cccc(C(=O)O)c1)C(=O)O,MVDNSRTRPRVGHIQFLACLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGAPQLEAVTEFARRVGPTTGFPADVKVELLKPLEHHHHHH,posex_set/posex_cross_docking_set/7AN6_RDH/7AN6_RDH_protein.pdb,posex_set/posex_cross_docking_set/7AN6_RDH/7AN6_RDH_ligand_start_conf.sdf
9FLR_A1IDD,Cn1cc(-c2ccn3ncc(-c4ccnc(CN)c4)c3n2)cn1,MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK,posex_set/posex_cross_docking_set/9FLR_A1IDD/9FLR_A1IDD_protein.pdb,posex_set/posex_cross_docking_set/9FLR_A1IDD/9FLR_A1IDD_ligand_start_conf.sdf
8RDT_7SE,O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDT_7SE/8RDT_7SE_protein.pdb,posex_set/posex_cross_docking_set/8RDT_7SE/8RDT_7SE_ligand_start_conf.sdf
7V3R_A1ATS,Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3R_A1ATS/7V3R_A1ATS_protein.pdb,posex_set/posex_cross_docking_set/7V3R_A1ATS/7V3R_A1ATS_ligand_start_conf.sdf
7FW7_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_IUT/7FW7_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FW7_IUT/7FW7_IUT_ligand_start_conf.sdf
8PQD_9JI,Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQD_9JI/8PQD_9JI_protein.pdb,posex_set/posex_cross_docking_set/8PQD_9JI/8PQD_9JI_ligand_start_conf.sdf
8QK5_VTK,CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QK5_VTK/8QK5_VTK_protein.pdb,posex_set/posex_cross_docking_set/8QK5_VTK/8QK5_VTK_ligand_start_conf.sdf
7GC1_LDX,Cc1ccncc1NC(=O)CCc1ccccc1F,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC1_LDX/7GC1_LDX_protein.pdb,posex_set/posex_cross_docking_set/7GC1_LDX/7GC1_LDX_ligand_start_conf.sdf
7LE2_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_XUY/7LE2_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LE2_XUY/7LE2_XUY_ligand_start_conf.sdf
7GZZ_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1ALQ/7GZZ_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1ALQ/7GZZ_A1ALQ_ligand_start_conf.sdf
7NGU_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_U9W/7NGU_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGU_U9W/7NGU_U9W_ligand_start_conf.sdf
7FU4_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YTU/7FU4_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YTU/7FU4_YTU_ligand_start_conf.sdf
8ZTX_A1D85,Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCCNCC3)c2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQP,posex_set/posex_cross_docking_set/8ZTX_A1D85/8ZTX_A1D85_protein.pdb,posex_set/posex_cross_docking_set/8ZTX_A1D85/8ZTX_A1D85_ligand_start_conf.sdf
7XJN_SPD,NCCCCNCCCN,AMAKDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTQGAGYDLVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIPYIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALSKLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGMLWNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFLLRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQDEVGEASVLYDEYFQKLKVND,posex_set/posex_cross_docking_set/7XJN_SPD/7XJN_SPD_protein.pdb,posex_set/posex_cross_docking_set/7XJN_SPD/7XJN_SPD_ligand_start_conf.sdf
8ZUD_A1D83,Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ,posex_set/posex_cross_docking_set/8ZUD_A1D83/8ZUD_A1D83_protein.pdb,posex_set/posex_cross_docking_set/8ZUD_A1D83/8ZUD_A1D83_ligand_start_conf.sdf
7B2U_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_R4X/7B2U_R4X_protein.pdb,posex_set/posex_cross_docking_set/7B2U_R4X/7B2U_R4X_ligand_start_conf.sdf
7GLF_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_R7F/7GLF_R7F_protein.pdb,posex_set/posex_cross_docking_set/7GLF_R7F/7GLF_R7F_ligand_start_conf.sdf
8U94_ANP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U94_ANP/8U94_ANP_protein.pdb,posex_set/posex_cross_docking_set/8U94_ANP/8U94_ANP_ligand_start_conf.sdf
7GZX_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1AK4/7GZX_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1AK4/7GZX_A1AK4_ligand_start_conf.sdf
7M9G_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_K2D/7M9G_K2D_protein.pdb,posex_set/posex_cross_docking_set/7M9G_K2D/7M9G_K2D_ligand_start_conf.sdf
7VRQ_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_P4M/7VRQ_P4M_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_P4M/7VRQ_P4M_ligand_start_conf.sdf
7B8K_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_EJW/7B8K_EJW_protein.pdb,posex_set/posex_cross_docking_set/7B8K_EJW/7B8K_EJW_ligand_start_conf.sdf
8U97_ADP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U97_ADP/8U97_ADP_protein.pdb,posex_set/posex_cross_docking_set/8U97_ADP/8U97_ADP_ligand_start_conf.sdf
7LE4_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_NF7/7LE4_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LE4_NF7/7LE4_NF7_ligand_start_conf.sdf
7XVU_BCZ,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVU_BCZ/7XVU_BCZ_protein.pdb,posex_set/posex_cross_docking_set/7XVU_BCZ/7XVU_BCZ_ligand_start_conf.sdf
8FX3_YC9,O=c1[nH]cnc2c(CN[C@@H](CO)CCP(=O)(O)O)c[nH]c12,MISSQQAMVHVVSRNAEGVIVVDGKAYPMAEELVATESVIQRSIKAVAKQIADFYRPLSHRDTHGGGGVAPISDENPLIIISVLKGSYIFTADMVRYLGDYGLPHVVDFLRVASYRGTSSTNKMQLLAETQFKALRGKHVLILEDIVDSGKTLRYILDKVQREHQPATLKVCVLADKPGGRRVTMQPDFVCLTVPNKYVIGYGFEVNDRFRCFRHIFTLRPGEARRYPAHL,posex_set/posex_cross_docking_set/8FX3_YC9/8FX3_YC9_protein.pdb,posex_set/posex_cross_docking_set/8FX3_YC9/8FX3_YC9_ligand_start_conf.sdf
7FVZ_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_K7C/7FVZ_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_K7C/7FVZ_K7C_ligand_start_conf.sdf
8SIX_UUF,CC(C)(O)[C@]12CN(c3cc(-n4ncc5ccc(-c6ccn[nH]6)cc54)ncn3)[C@H](C1)C2,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIX_UUF/8SIX_UUF_protein.pdb,posex_set/posex_cross_docking_set/8SIX_UUF/8SIX_UUF_ligand_start_conf.sdf
8ULE_SIA,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O,HMCNKNNTFEKNLDISHKPEPLILFNKDNNIWNSKYFRIPNIQLLNDGTILTFSDIRYNGPDDHAYIDIASARSTDFGKTWSYDIAMKNNRIDSTYSRVMDSTTVITNTGRIILIAGSWNTNGNWAMTTSTRRSDWSVQMIYSDDNGLTWSNKIDLTKDSSKVKNQPSNTIGWLGGVGSGIVMDDGTIVMPAQISLRENNENNYYSLIIYSKDNGETWTMGNKVPNSNTSENMVIELDGALIMSTRYDYSGYRAAYISHDLGSTWEIYEPLNGKVLTGKGSGCQGSFIKATTSNGHRIGLISAPKNTKGEYIRDNIAVYMIDFDDLSKRVQEICIPYPKDGNKLGGGYSCLSFKNSHLSIVYEANGNIEYQDLTPYYSLINKQ,posex_set/posex_cross_docking_set/8ULE_SIA/8ULE_SIA_protein.pdb,posex_set/posex_cross_docking_set/8ULE_SIA/8ULE_SIA_ligand_start_conf.sdf
7SLZ_L6O,C[C@@H]1CN=C(Nc2ccc(F)cc2)S1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7SLZ_L6O/7SLZ_L6O_protein.pdb,posex_set/posex_cross_docking_set/7SLZ_L6O/7SLZ_L6O_ligand_start_conf.sdf
5SKN_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_IK0/5SKN_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SKN_IK0/5SKN_IK0_ligand_start_conf.sdf
8OHV_SJ5,O=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHV_SJ5/8OHV_SJ5_protein.pdb,posex_set/posex_cross_docking_set/8OHV_SJ5/8OHV_SJ5_ligand_start_conf.sdf
7HG1_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_A1A3P/7HG1_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HG1_A1A3P/7HG1_A1A3P_ligand_start_conf.sdf
8OGX_SJ5,O=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OGX_SJ5/8OGX_SJ5_protein.pdb,posex_set/posex_cross_docking_set/8OGX_SJ5/8OGX_SJ5_ligand_start_conf.sdf
7N4R_0B9,O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4R_0B9/7N4R_0B9_protein.pdb,posex_set/posex_cross_docking_set/7N4R_0B9/7N4R_0B9_ligand_start_conf.sdf
5SIM_JKO,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIM_JKO/5SIM_JKO_protein.pdb,posex_set/posex_cross_docking_set/5SIM_JKO/5SIM_JKO_ligand_start_conf.sdf
8GEY_ZDF,CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEY_ZDF/8GEY_ZDF_protein.pdb,posex_set/posex_cross_docking_set/8GEY_ZDF/8GEY_ZDF_ligand_start_conf.sdf
7VRQ_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_8M6/7VRQ_8M6_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_8M6/7VRQ_8M6_ligand_start_conf.sdf
7B8M_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_EJW/7B8M_EJW_protein.pdb,posex_set/posex_cross_docking_set/7B8M_EJW/7B8M_EJW_ligand_start_conf.sdf
7NGY_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_UAT/7NGY_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGY_UAT/7NGY_UAT_ligand_start_conf.sdf
7GAW_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_X77/7GAW_X77_protein.pdb,posex_set/posex_cross_docking_set/7GAW_X77/7GAW_X77_ligand_start_conf.sdf
7FW1_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_IWI/7FW1_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FW1_IWI/7FW1_IWI_ligand_start_conf.sdf
7FU0_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YUF/7FU0_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YUF/7FU0_YUF_ligand_start_conf.sdf
8BM8_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_QUF/8BM8_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BM8_QUF/8BM8_QUF_ligand_start_conf.sdf
7PHZ_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_R4X/7PHZ_R4X_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_R4X/7PHZ_R4X_ligand_start_conf.sdf
8JM3_PEG,OCCOCCO,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASSLPFSTPPFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM3_PEG/8JM3_PEG_protein.pdb,posex_set/posex_cross_docking_set/8JM3_PEG/8JM3_PEG_ligand_start_conf.sdf
7FU4_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YQ3/7FU4_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YQ3/7FU4_YQ3_ligand_start_conf.sdf
7PRM_NUX,CCC(F)(F)C(=O)C[S@@](=O)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)[C@@H]2C)cc1Cl,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/7PRM_NUX/7PRM_NUX_protein.pdb,posex_set/posex_cross_docking_set/7PRM_NUX/7PRM_NUX_ligand_start_conf.sdf
5SAV_1IF,Nc1ccc(C#Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAV_1IF/5SAV_1IF_protein.pdb,posex_set/posex_cross_docking_set/5SAV_1IF/5SAV_1IF_ligand_start_conf.sdf
8A0S_KYR,Cc1ccc(-c2nc(=O)[nH]c3ccccc23)cc1,GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV,posex_set/posex_cross_docking_set/8A0S_KYR/8A0S_KYR_protein.pdb,posex_set/posex_cross_docking_set/8A0S_KYR/8A0S_KYR_ligand_start_conf.sdf
7R7K_NRR,CN(C)/C=C\C(=O)c1ccc2[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc3c2c1,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7K_NRR/7R7K_NRR_protein.pdb,posex_set/posex_cross_docking_set/7R7K_NRR/7R7K_NRR_ligand_start_conf.sdf
7FUB_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YOB/7FUB_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YOB/7FUB_YOB_ligand_start_conf.sdf
7YYB_I7L,O=C(O)Cc1ccc2ccccc2c1,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YYB_I7L/7YYB_I7L_protein.pdb,posex_set/posex_cross_docking_set/7YYB_I7L/7YYB_I7L_ligand_start_conf.sdf
8RDS_MW6,Nc1cccc(SC[C@H]2CCC(=O)NC2=O)c1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDS_MW6/8RDS_MW6_protein.pdb,posex_set/posex_cross_docking_set/8RDS_MW6/8RDS_MW6_ligand_start_conf.sdf
7ENZ_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_QJ1/7ENZ_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_QJ1/7ENZ_QJ1_ligand_start_conf.sdf
7GNL_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_SQ5/7GNL_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7GNL_SQ5/7GNL_SQ5_ligand_start_conf.sdf
5SKN_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_IZ6/5SKN_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SKN_IZ6/5SKN_IZ6_ligand_start_conf.sdf
8J5H_TQR,Nc1ccn([C@@H]2S[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5H_TQR/8J5H_TQR_protein.pdb,posex_set/posex_cross_docking_set/8J5H_TQR/8J5H_TQR_ligand_start_conf.sdf
7EGO_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_6NA/7EGO_6NA_protein.pdb,posex_set/posex_cross_docking_set/7EGO_6NA/7EGO_6NA_ligand_start_conf.sdf
7BCD_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_GQM/7BCD_GQM_protein.pdb,posex_set/posex_cross_docking_set/7BCD_GQM/7BCD_GQM_ligand_start_conf.sdf
7U9Y_UY9,CCc1cc(C(=O)NC)c2nccc(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)c2c1,PVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC,posex_set/posex_cross_docking_set/7U9Y_UY9/7U9Y_UY9_protein.pdb,posex_set/posex_cross_docking_set/7U9Y_UY9/7U9Y_UY9_ligand_start_conf.sdf
8QQY_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QJI/8QQY_QJI_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QJI/8QQY_QJI_ligand_start_conf.sdf
7B98_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_GQM/7B98_GQM_protein.pdb,posex_set/posex_cross_docking_set/7B98_GQM/7B98_GQM_ligand_start_conf.sdf
7FTI_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YOB/7FTI_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YOB/7FTI_YOB_ligand_start_conf.sdf
8RQP_FLC,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-],MGSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDDGNNSRNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAFVDFIWRF,posex_set/posex_cross_docking_set/8RQP_FLC/8RQP_FLC_protein.pdb,posex_set/posex_cross_docking_set/8RQP_FLC/8RQP_FLC_ligand_start_conf.sdf
7BCD_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_T3N/7BCD_T3N_protein.pdb,posex_set/posex_cross_docking_set/7BCD_T3N/7BCD_T3N_ligand_start_conf.sdf
8GF1_UM9,CC(=O)N[C@H]1[C@H](OCC(C)(C)C(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF1_UM9/8GF1_UM9_protein.pdb,posex_set/posex_cross_docking_set/8GF1_UM9/8GF1_UM9_ligand_start_conf.sdf
7PHZ_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_U9H/7PHZ_U9H_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_U9H/7PHZ_U9H_ligand_start_conf.sdf
7FEU_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_X90/7FEU_X90_protein.pdb,posex_set/posex_cross_docking_set/7FEU_X90/7FEU_X90_ligand_start_conf.sdf
7FVU_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_IUT/7FVU_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FVU_IUT/7FVU_IUT_ligand_start_conf.sdf
7FU3_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YUF/7FU3_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YUF/7FU3_YUF_ligand_start_conf.sdf
8AOP_7SE,O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1,MPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8AOP_7SE/8AOP_7SE_protein.pdb,posex_set/posex_cross_docking_set/8AOP_7SE/8AOP_7SE_ligand_start_conf.sdf
7NEO_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_KG9/7NEO_KG9_protein.pdb,posex_set/posex_cross_docking_set/7NEO_KG9/7NEO_KG9_ligand_start_conf.sdf
8BM8_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_WT3/8BM8_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BM8_WT3/8BM8_WT3_ligand_start_conf.sdf
7FUQ_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YQ3/7FUQ_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YQ3/7FUQ_YQ3_ligand_start_conf.sdf
7LE5_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_A61/7LE5_A61_protein.pdb,posex_set/posex_cross_docking_set/7LE5_A61/7LE5_A61_ligand_start_conf.sdf
8BOM_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_QRR/8BOM_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BOM_QRR/8BOM_QRR_ligand_start_conf.sdf
7HG0_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_EJQ/7HG0_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HG0_EJQ/7HG0_EJQ_ligand_start_conf.sdf
7RGX_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGX_D9J/7RGX_D9J_protein.pdb,posex_set/posex_cross_docking_set/7RGX_D9J/7RGX_D9J_ligand_start_conf.sdf
7NGW_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_UAZ/7NGW_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGW_UAZ/7NGW_UAZ_ligand_start_conf.sdf
7NGU_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_UAW/7NGU_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGU_UAW/7NGU_UAW_ligand_start_conf.sdf
7GZW_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1AK7/7GZW_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1AK7/7GZW_A1AK7_ligand_start_conf.sdf
8BOI_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QRR/8BOI_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QRR/8BOI_QRR_ligand_start_conf.sdf
8U94_ATP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U94_ATP/8U94_ATP_protein.pdb,posex_set/posex_cross_docking_set/8U94_ATP/8U94_ATP_ligand_start_conf.sdf
7FCX_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_X90/7FCX_X90_protein.pdb,posex_set/posex_cross_docking_set/7FCX_X90/7FCX_X90_ligand_start_conf.sdf
7B8M_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_UR4/7B8M_UR4_protein.pdb,posex_set/posex_cross_docking_set/7B8M_UR4/7B8M_UR4_ligand_start_conf.sdf
8EA6_ZWA,CN(C)C(=O)[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cccc(N2CC(CC(F)(F)F)C2)c1,MGPLTESYCGPCPKNWICYKNNCYQFFDEEKNWYESQASCMSQNASLLKVYSKEDQDLLKLVKSYHWMGLVHIPTNGSWQWEDGSSLSPNLLTIIEMQKGDCALYASSFKGYIENCSTPNTYICMQRTV,posex_set/posex_cross_docking_set/8EA6_ZWA/8EA6_ZWA_protein.pdb,posex_set/posex_cross_docking_set/8EA6_ZWA/8EA6_ZWA_ligand_start_conf.sdf
7BCH_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_T3N/7BCH_T3N_protein.pdb,posex_set/posex_cross_docking_set/7BCH_T3N/7BCH_T3N_ligand_start_conf.sdf
8V6W_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YIB/8V6W_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YIB/8V6W_YIB_ligand_start_conf.sdf
8OHU_VGO,O=C(O)[C@H]1CNCC(O)(O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHU_VGO/8OHU_VGO_protein.pdb,posex_set/posex_cross_docking_set/8OHU_VGO/8OHU_VGO_ligand_start_conf.sdf
8OUA_W26,Cc1cc(N)ccc1C(=O)N[C@H]1CCC(=O)NC1=O,ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA|GASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA,posex_set/posex_cross_docking_set/8OUA_W26/8OUA_W26_protein.pdb,posex_set/posex_cross_docking_set/8OUA_W26/8OUA_W26_ligand_start_conf.sdf
7FW7_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_IWI/7FW7_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FW7_IWI/7FW7_IWI_ligand_start_conf.sdf
8BK0_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_QUF/8BK0_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BK0_QUF/8BK0_QUF_ligand_start_conf.sdf
7FW7_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_IZ7/7FW7_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FW7_IZ7/7FW7_IZ7_ligand_start_conf.sdf
7GLF_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_U9H/7GLF_U9H_protein.pdb,posex_set/posex_cross_docking_set/7GLF_U9H/7GLF_U9H_ligand_start_conf.sdf
8OYQ_WXC,Nc1ncc2c(n1)CCCC2=O,GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLT,posex_set/posex_cross_docking_set/8OYQ_WXC/8OYQ_WXC_protein.pdb,posex_set/posex_cross_docking_set/8OYQ_WXC/8OYQ_WXC_ligand_start_conf.sdf
8V70_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YIB/8V70_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V70_YIB/8V70_YIB_ligand_start_conf.sdf
7M9G_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_K2E/7M9G_K2E_protein.pdb,posex_set/posex_cross_docking_set/7M9G_K2E/7M9G_K2E_ligand_start_conf.sdf
7RH1_5BI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH1_5BI/7RH1_5BI_protein.pdb,posex_set/posex_cross_docking_set/7RH1_5BI/7RH1_5BI_ligand_start_conf.sdf
7GZX_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1AK6/7GZX_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1AK6/7GZX_A1AK6_ligand_start_conf.sdf
7PRM_A1IG3,O=C1CO[C@H]2CCN(C(=O)N3CCC(C(c4ccccc4)c4ccccc4)CC3)C[C@H]2N1,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/7PRM_A1IG3/7PRM_A1IG3_protein.pdb,posex_set/posex_cross_docking_set/7PRM_A1IG3/7PRM_A1IG3_ligand_start_conf.sdf
7GCJ_L7F,Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCJ_L7F/7GCJ_L7F_protein.pdb,posex_set/posex_cross_docking_set/7GCJ_L7F/7GCJ_L7F_ligand_start_conf.sdf
7B4X_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_T9Z/7B4X_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7B4X_T9Z/7B4X_T9Z_ligand_start_conf.sdf
8QTG_WUI,C[C@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTG_WUI/8QTG_WUI_protein.pdb,posex_set/posex_cross_docking_set/8QTG_WUI/8QTG_WUI_ligand_start_conf.sdf
8CHN_Y6Z,C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8CHN_Y6Z/8CHN_Y6Z_protein.pdb,posex_set/posex_cross_docking_set/8CHN_Y6Z/8CHN_Y6Z_ligand_start_conf.sdf
7FVX_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_IWI/7FVX_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FVX_IWI/7FVX_IWI_ligand_start_conf.sdf
7UU0_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_82V/7UU0_82V_protein.pdb,posex_set/posex_cross_docking_set/7UU0_82V/7UU0_82V_ligand_start_conf.sdf
7HG0_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_VZP/7HG0_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HG0_VZP/7HG0_VZP_ligand_start_conf.sdf
7BCD_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_T9Q/7BCD_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7BCD_T9Q/7BCD_T9Q_ligand_start_conf.sdf
8BOC_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_QU6/8BOC_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BOC_QU6/8BOC_QU6_ligand_start_conf.sdf
7FVZ_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_IWI/7FVZ_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_IWI/7FVZ_IWI_ligand_start_conf.sdf
7Q8Y_9IK,c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q8Y_9IK/7Q8Y_9IK_protein.pdb,posex_set/posex_cross_docking_set/7Q8Y_9IK/7Q8Y_9IK_ligand_start_conf.sdf
8QTG_WX9,C[C@@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTG_WX9/8QTG_WX9_protein.pdb,posex_set/posex_cross_docking_set/8QTG_WX9/8QTG_WX9_ligand_start_conf.sdf
8I6B_BR8,O=C1CC(=O)NC(=O)N1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6B_BR8/8I6B_BR8_protein.pdb,posex_set/posex_cross_docking_set/8I6B_BR8/8I6B_BR8_ligand_start_conf.sdf
7B4X_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_AXV/7B4X_AXV_protein.pdb,posex_set/posex_cross_docking_set/7B4X_AXV/7B4X_AXV_ligand_start_conf.sdf
7FEZ_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_X90/7FEZ_X90_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_X90/7FEZ_X90_ligand_start_conf.sdf
9ETQ_A1H64,CNC(=O)c1ccc(N2CCN(Cc3ccc4nc(C)c(=O)[nH]c4c3F)CC2)c(F)n1,GSKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT,posex_set/posex_cross_docking_set/9ETQ_A1H64/9ETQ_A1H64_protein.pdb,posex_set/posex_cross_docking_set/9ETQ_A1H64/9ETQ_A1H64_ligand_start_conf.sdf
8PT0_N9F,CC(=O)NCc1ccc2[nH]ncc2c1,GSASMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8PT0_N9F/8PT0_N9F_protein.pdb,posex_set/posex_cross_docking_set/8PT0_N9F/8PT0_N9F_ligand_start_conf.sdf
8I61_ORO,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I61_ORO/8I61_ORO_protein.pdb,posex_set/posex_cross_docking_set/8I61_ORO/8I61_ORO_ligand_start_conf.sdf
7V0Z_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_OQO/7V0Z_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_OQO/7V0Z_OQO_ligand_start_conf.sdf
8OV7_A1ATS,Cn1ccc([C@H]2C[C@H](N(c3cc(F)c(NC(=O)c4ccnn(-c5ccc(F)cn5)c4=O)cc3F)c3nccn4nccc34)C2)n1,GDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/8OV7_A1ATS/8OV7_A1ATS_protein.pdb,posex_set/posex_cross_docking_set/8OV7_A1ATS/8OV7_A1ATS_ligand_start_conf.sdf
8KD0_BGC,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMAPKAEVLHWWTGGGEAKALKVLQDEFAAQNGVWLDMPVSGGGGDAAMQTLKARIVANDAPAAAQIKGPTIQEYDEEGVVAPYNIDAVAKKEGWDNLLSKQVASHMKCDDGKAYCAAPVNIHRIDWIWANKKVLDSNGIKMPSTWAEFNAAADKLQANGIIPLAHGSQPWQDATVFEAVALGVGGNDFYRKAFVDLDAATLGGSTMTKVFDQMRKLKGYTDAGSPGRDWNVATGMVMEGKAAFQIMGDWAKGEFAANNMAPGKDYICAPTPSNNGYLYNVDSFIFYKVKGKDKVEGQKLLASLMMGKNFQKVFNIYKGSIPARLDVSMDEFDMCAKKSNADLKTAGSKGGLLPSFAHGMALRLAQKGAIQDVVTEHFNSNMSSSDAAKKLAAAVKASL,posex_set/posex_cross_docking_set/8KD0_BGC/8KD0_BGC_protein.pdb,posex_set/posex_cross_docking_set/8KD0_BGC/8KD0_BGC_ligand_start_conf.sdf
8JM5_FQ3,CC1(C)OCc2cc(C=O)ccc2O1,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASVLPFSTPLFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM5_FQ3/8JM5_FQ3_protein.pdb,posex_set/posex_cross_docking_set/8JM5_FQ3/8JM5_FQ3_ligand_start_conf.sdf
7Q6V_963,COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(OC)c1O,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6V_963/7Q6V_963_protein.pdb,posex_set/posex_cross_docking_set/7Q6V_963/7Q6V_963_ligand_start_conf.sdf
9EY4_9QN,O=C1[C@@H]2CCC[C@H]([C@@H](CO)CN1Cc1ccccn1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY4_9QN/9EY4_9QN_protein.pdb,posex_set/posex_cross_docking_set/9EY4_9QN/9EY4_9QN_ligand_start_conf.sdf
7B9D_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_T9Q/7B9D_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7B9D_T9Q/7B9D_T9Q_ligand_start_conf.sdf
7FU3_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YOB/7FU3_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YOB/7FU3_YOB_ligand_start_conf.sdf
7GAW_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_R7F/7GAW_R7F_protein.pdb,posex_set/posex_cross_docking_set/7GAW_R7F/7GAW_R7F_ligand_start_conf.sdf
7NGY_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_UBQ/7NGY_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGY_UBQ/7NGY_UBQ_ligand_start_conf.sdf
7HG8_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_TU6/7HG8_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HG8_TU6/7HG8_TU6_ligand_start_conf.sdf
8PQA_9JI,Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQA_9JI/8PQA_9JI_protein.pdb,posex_set/posex_cross_docking_set/8PQA_9JI/8PQA_9JI_ligand_start_conf.sdf
5SFB_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_KHU/5SFB_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SFB_KHU/5SFB_KHU_ligand_start_conf.sdf
7H02_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1AK3/7H02_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1AK3/7H02_A1AK3_ligand_start_conf.sdf
8BM8_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_QRR/8BM8_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BM8_QRR/8BM8_QRR_ligand_start_conf.sdf
7GZY_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1ALR/7GZY_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1ALR/7GZY_A1ALR_ligand_start_conf.sdf
8U2D_YD7,CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1,GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE,posex_set/posex_cross_docking_set/8U2D_YD7/8U2D_YD7_protein.pdb,posex_set/posex_cross_docking_set/8U2D_YD7/8U2D_YD7_ligand_start_conf.sdf
7FVX_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_KWX/7FVX_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FVX_KWX/7FVX_KWX_ligand_start_conf.sdf
7FUO_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YOB/7FUO_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YOB/7FUO_YOB_ligand_start_conf.sdf
8BSA_DLY,NCCCC[C@@H](N)C(=O)O,GPLGSSELDKIQSELLNYTDDTLPAMENVDAIKDKMSYWRRTQFAVLPMKDEAQIRQTIERNNRVQAEINDSLVAYGKTVWPGEEEQTFKRLMGNWNAYTAVTDQFNQTLLTQGADDAYPILANSLSTFEALESDFTLLIGILHQAMDSNKVQILSSVKTLNSTSEFPGRLERPHRD,posex_set/posex_cross_docking_set/8BSA_DLY/8BSA_DLY_protein.pdb,posex_set/posex_cross_docking_set/8BSA_DLY/8BSA_DLY_ligand_start_conf.sdf
7NGU_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_UAT/7NGU_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGU_UAT/7NGU_UAT_ligand_start_conf.sdf
7NGU_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_UBQ/7NGU_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGU_UBQ/7NGU_UBQ_ligand_start_conf.sdf
7V17_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_ORF/7V17_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V17_ORF/7V17_ORF_ligand_start_conf.sdf
7V0Z_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_OT7/7V0Z_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_OT7/7V0Z_OT7_ligand_start_conf.sdf
8OU6_W0Z,COc1c(N)c(F)cc(C(=O)N[C@H]2CCC(=O)NC2=O)c1F,ASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPA,posex_set/posex_cross_docking_set/8OU6_W0Z/8OU6_W0Z_protein.pdb,posex_set/posex_cross_docking_set/8OU6_W0Z/8OU6_W0Z_ligand_start_conf.sdf
7GZY_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1AK5/7GZY_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1AK5/7GZY_A1AK5_ligand_start_conf.sdf
7ENZ_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_P4M/7ENZ_P4M_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_P4M/7ENZ_P4M_ligand_start_conf.sdf
8QLQ_SJL,CNc1ncc2cc(-c3cc(F)c(-c4cccc(C)n4)cc3F)c(=O)n(CCCCN)c2n1,MRAQLWGLALNKRRATLPHPGGSTNLKADPEELFTKLEKIGKGSFGEVFKGIDNRTQKVVAIKIIDLEEAEDEIEDIQQEITVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLEPGPLDETQIATILREILKGLDYLHSEKKIHRDIKAANVLLSEHGEVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSELHPMKVLFLIPKNNPPTLEGNYSKPLKEFVEACLNKEPSFRPTAKELLKHKFILRNAKKTSYLTELIDAHHHHHH,posex_set/posex_cross_docking_set/8QLQ_SJL/8QLQ_SJL_protein.pdb,posex_set/posex_cross_docking_set/8QLQ_SJL/8QLQ_SJL_ligand_start_conf.sdf
7FW1_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_GFS/7FW1_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FW1_GFS/7FW1_GFS_ligand_start_conf.sdf
7U3J_9QU,O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7U3J_9QU/7U3J_9QU_protein.pdb,posex_set/posex_cross_docking_set/7U3J_9QU/7U3J_9QU_ligand_start_conf.sdf
7XI0_JHL,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4c(C)noc4C)ccc32)CC1,MKKGHHHHHHLVPRGSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG,posex_set/posex_cross_docking_set/7XI0_JHL/7XI0_JHL_protein.pdb,posex_set/posex_cross_docking_set/7XI0_JHL/7XI0_JHL_ligand_start_conf.sdf
8CN2_Q5H,CC(=O)Nc1cccc(C(=O)O)c1C,SRRRVVITGMGMLSPLGLDVPSSWEGILAGRSGIAPIEHMDLSAYSTRFGGSVKGFNVEEYLSAKEARKLDLFIQYGLAASFQAVRDSGLEVTDANRERIGVSMGSGIGGLTNIENNCRSLFEQGPRRISPFFVPGSIINMVSGFLSIHLGLQGPNYALTTAQTTGTHSIGMAARNIAYGEADVMVAGGSEMAACGLGLGGFGAARALSTRNDEPTRASRPWDRDRDGFVLSDGSGALVLEELEHARARGARIYAELVGFGMSGDAFHMTAPPEDGAGAARCMKNALRDAGLDPRQVDYINAHGTSTPAGDIAEIAAVKSVFGEHAHALSMSSTKSMTGHLLGAAGAVEAIFSVLALRDQVAPPTINLDNPDEGCDLDLVAHEAKPRKIDVALSNSFGFGGTNGTLVFRRFA,posex_set/posex_cross_docking_set/8CN2_Q5H/8CN2_Q5H_protein.pdb,posex_set/posex_cross_docking_set/8CN2_Q5H/8CN2_Q5H_ligand_start_conf.sdf
8QDI_SDU,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)[C@H]2CCNC2)[C@@H](O)[C@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8QDI_SDU/8QDI_SDU_protein.pdb,posex_set/posex_cross_docking_set/8QDI_SDU/8QDI_SDU_ligand_start_conf.sdf
8TQN_EPE,O=S(=O)(O)CCN1CCN(CCO)CC1,MKHLLKAGALVALACIVTLTAGAQAHAAKRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDRVTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAIDDGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRTTDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHTEVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSITSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELIKLVQETQQ,posex_set/posex_cross_docking_set/8TQN_EPE/8TQN_EPE_protein.pdb,posex_set/posex_cross_docking_set/8TQN_EPE/8TQN_EPE_ligand_start_conf.sdf
7V13_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OT7/7V13_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V13_OT7/7V13_OT7_ligand_start_conf.sdf
7V11_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_ORF/7V11_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V11_ORF/7V11_ORF_ligand_start_conf.sdf
8BIN_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_R0O/8BIN_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BIN_R0O/8BIN_R0O_ligand_start_conf.sdf
7B8M_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_T9Q/7B8M_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7B8M_T9Q/7B8M_T9Q_ligand_start_conf.sdf
7RGX_5A4,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGX_5A4/7RGX_5A4_protein.pdb,posex_set/posex_cross_docking_set/7RGX_5A4/7RGX_5A4_ligand_start_conf.sdf
8JV3_ABU,NCCCC(=O)O,MGAVTVVSWGGAYTESQKLGYGDPTAAKLGIPVNWVDYTGGLSEIKAQKEAGAITWDIMDVYAKDTIIGCDEGIFHEFDFDKDFLPAPDGTPASQDFFTSMPSKCAVGNILYSWNFAYNDAKIGDKKPKSIKDFFNTKKFPGKRAIYKGAMSNLEIALVADGVKASGAQAGGDLLYRKMEGAGIDRALAKIKKLCTDPNGGCVFWNAGAQPPELLANGEVVMATGWNGRFFNAQMEGTPLVQVWDAQILDYEYFALVKDGPGYADGSAMKVLAEMTSTEGLAGSAKYIAYAPWRKSSIAIMEAGEPWFKDGKTNMVPHMPTAPSNLKSHILMNPDYWADNQDEINEKWEAMKAGLHHHHHH,posex_set/posex_cross_docking_set/8JV3_ABU/8JV3_ABU_protein.pdb,posex_set/posex_cross_docking_set/8JV3_ABU/8JV3_ABU_ligand_start_conf.sdf
9FQH_WUQ,Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/9FQH_WUQ/9FQH_WUQ_protein.pdb,posex_set/posex_cross_docking_set/9FQH_WUQ/9FQH_WUQ_ligand_start_conf.sdf
8V6Y_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YHW/8V6Y_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YHW/8V6Y_YHW_ligand_start_conf.sdf
8SIX_A1AV4,Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIX_A1AV4/8SIX_A1AV4_protein.pdb,posex_set/posex_cross_docking_set/8SIX_A1AV4/8SIX_A1AV4_ligand_start_conf.sdf
7GLA_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_S1U/7GLA_S1U_protein.pdb,posex_set/posex_cross_docking_set/7GLA_S1U/7GLA_S1U_ligand_start_conf.sdf
9FQH_WX9,C[C@@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/9FQH_WX9/9FQH_WX9_protein.pdb,posex_set/posex_cross_docking_set/9FQH_WX9/9FQH_WX9_ligand_start_conf.sdf
7LDY_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_K2D/7LDY_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LDY_K2D/7LDY_K2D_ligand_start_conf.sdf
5SIM_JIC,Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIM_JIC/5SIM_JIC_protein.pdb,posex_set/posex_cross_docking_set/5SIM_JIC/5SIM_JIC_ligand_start_conf.sdf
5SGW_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_KI8/5SGW_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SGW_KI8/5SGW_KI8_ligand_start_conf.sdf
8A46_SIU,Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,GSHMGPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8A46_SIU/8A46_SIU_protein.pdb,posex_set/posex_cross_docking_set/8A46_SIU/8A46_SIU_ligand_start_conf.sdf
7N4R_YD7,CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4R_YD7/7N4R_YD7_protein.pdb,posex_set/posex_cross_docking_set/7N4R_YD7/7N4R_YD7_ligand_start_conf.sdf
7FBF_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_J3R/7FBF_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FBF_J3R/7FBF_J3R_ligand_start_conf.sdf
7H01_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1AK5/7H01_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1AK5/7H01_A1AK5_ligand_start_conf.sdf
7H00_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1ALR/7H00_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1ALR/7H00_A1ALR_ligand_start_conf.sdf
8VQ4_A1AC4,C[C@@H](OCC1CCCCC1)[C@H](NC(=O)[C@@H]1CN(C(=O)c2cncs2)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCOCC1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL|GSIIAPSRGSPLPVLSWANREEVWKIMLNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWRLSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILAASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNIQTHRDSLDLLDKARAKKA,posex_set/posex_cross_docking_set/8VQ4_A1AC4/8VQ4_A1AC4_protein.pdb,posex_set/posex_cross_docking_set/8VQ4_A1AC4/8VQ4_A1AC4_ligand_start_conf.sdf
8ARJ_AWJ,Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2N2NC=CN2)c1,GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/8ARJ_AWJ/8ARJ_AWJ_protein.pdb,posex_set/posex_cross_docking_set/8ARJ_AWJ/8ARJ_AWJ_ligand_start_conf.sdf
7FU4_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YUB/7FU4_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YUB/7FU4_YUB_ligand_start_conf.sdf
7FUB_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YTU/7FUB_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YTU/7FUB_YTU_ligand_start_conf.sdf
7ZB3_6MJ,CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZB3_6MJ/7ZB3_6MJ_protein.pdb,posex_set/posex_cross_docking_set/7ZB3_6MJ/7ZB3_6MJ_ligand_start_conf.sdf
7RH1_5A4,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH1_5A4/7RH1_5A4_protein.pdb,posex_set/posex_cross_docking_set/7RH1_5A4/7RH1_5A4_ligand_start_conf.sdf
8E80_A1AV4,Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E80_A1AV4/8E80_A1AV4_protein.pdb,posex_set/posex_cross_docking_set/8E80_A1AV4/8E80_A1AV4_ligand_start_conf.sdf
7ZGZ_6MJ,CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZGZ_6MJ/7ZGZ_6MJ_protein.pdb,posex_set/posex_cross_docking_set/7ZGZ_6MJ/7ZGZ_6MJ_ligand_start_conf.sdf
8V6Y_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YHE/8V6Y_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YHE/8V6Y_YHE_ligand_start_conf.sdf
7LE0_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_A61/7LE0_A61_protein.pdb,posex_set/posex_cross_docking_set/7LE0_A61/7LE0_A61_ligand_start_conf.sdf
7XFA_59O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7XFA_59O/7XFA_59O_protein.pdb,posex_set/posex_cross_docking_set/7XFA_59O/7XFA_59O_ligand_start_conf.sdf
7S9G_ADE,Nc1ncnc2[nH]cnc12,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S9G_ADE/7S9G_ADE_protein.pdb,posex_set/posex_cross_docking_set/7S9G_ADE/7S9G_ADE_ligand_start_conf.sdf
7FDU_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_6NA/7FDU_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FDU_6NA/7FDU_6NA_ligand_start_conf.sdf
8V73_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YHW/8V73_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V73_YHW/8V73_YHW_ligand_start_conf.sdf
7FTI_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YME/7FTI_YME_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YME/7FTI_YME_ligand_start_conf.sdf
7HGB_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_A1A3P/7HGB_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HGB_A1A3P/7HGB_A1A3P_ligand_start_conf.sdf
8QK2_VTK,CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QK2_VTK/8QK2_VTK_protein.pdb,posex_set/posex_cross_docking_set/8QK2_VTK/8QK2_VTK_ligand_start_conf.sdf
8E81_ZXH,C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E81_ZXH/8E81_ZXH_protein.pdb,posex_set/posex_cross_docking_set/8E81_ZXH/8E81_ZXH_ligand_start_conf.sdf
7V3S_W3W,C[C@@H](c1cccc(-c2cnc[nH]2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3S_W3W/7V3S_W3W_protein.pdb,posex_set/posex_cross_docking_set/7V3S_W3W/7V3S_W3W_ligand_start_conf.sdf
8A2D_KY9,O=C(Nc1nccs1)[C@@H](c1ncn2c1CCC2)N1Cc2c(cc(C#Cc3ccc(CN4CCC(CO)CC4)cc3)cc2C(F)(F)F)C1=O,GSMNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG,posex_set/posex_cross_docking_set/8A2D_KY9/8A2D_KY9_protein.pdb,posex_set/posex_cross_docking_set/8A2D_KY9/8A2D_KY9_ligand_start_conf.sdf
5SHO_JSM,CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SHO_JSM/5SHO_JSM_protein.pdb,posex_set/posex_cross_docking_set/5SHO_JSM/5SHO_JSM_ligand_start_conf.sdf
8V70_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YJQ/8V70_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V70_YJQ/8V70_YJQ_ligand_start_conf.sdf
7LTY_UQX,CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1cccc(C)c1)NC(=O)c1ccc2[nH]ncc2c1,GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7LTY_UQX/7LTY_UQX_protein.pdb,posex_set/posex_cross_docking_set/7LTY_UQX/7LTY_UQX_ligand_start_conf.sdf
7BC9_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_T9Q/7BC9_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7BC9_T9Q/7BC9_T9Q_ligand_start_conf.sdf
7FCX_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_4I6/7FCX_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FCX_4I6/7FCX_4I6_ligand_start_conf.sdf
7LE4_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_XUY/7LE4_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LE4_XUY/7LE4_XUY_ligand_start_conf.sdf
7B2U_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_S1U/7B2U_S1U_protein.pdb,posex_set/posex_cross_docking_set/7B2U_S1U/7B2U_S1U_ligand_start_conf.sdf
8ARJ_25J,C[C@@H](Oc1cc(-c2cccc3c2CNC3=O)cnc1N)c1cc(F)ccc1-n1nccn1,GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/8ARJ_25J/8ARJ_25J_protein.pdb,posex_set/posex_cross_docking_set/8ARJ_25J/8ARJ_25J_ligand_start_conf.sdf
8BOD_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_QJI/8BOD_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BOD_QJI/8BOD_QJI_ligand_start_conf.sdf
7GL3_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_SQ5/7GL3_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7GL3_SQ5/7GL3_SQ5_ligand_start_conf.sdf
8BOD_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_R0O/8BOD_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BOD_R0O/8BOD_R0O_ligand_start_conf.sdf
7H01_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1ALS/7H01_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1ALS/7H01_A1ALS_ligand_start_conf.sdf
7FBF_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_4I6/7FBF_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FBF_4I6/7FBF_4I6_ligand_start_conf.sdf
7GZV_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1AK4/7GZV_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1AK4/7GZV_A1AK4_ligand_start_conf.sdf
7RGZ_5EI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGZ_5EI/7RGZ_5EI_protein.pdb,posex_set/posex_cross_docking_set/7RGZ_5EI/7RGZ_5EI_ligand_start_conf.sdf
8OHT_VP5,O=C(O)[C@H]1CNCC(O)(O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHT_VP5/8OHT_VP5_protein.pdb,posex_set/posex_cross_docking_set/8OHT_VP5/8OHT_VP5_ligand_start_conf.sdf
7V15_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_ORU/7V15_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V15_ORU/7V15_ORU_ligand_start_conf.sdf
8U96_ADP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U96_ADP/8U96_ADP_protein.pdb,posex_set/posex_cross_docking_set/8U96_ADP/8U96_ADP_ligand_start_conf.sdf
7N4Q_0BG,CN(CCNC(=O)CNc1ccccc1)c1ncnc2[nH]ccc12,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4Q_0BG/7N4Q_0BG_protein.pdb,posex_set/posex_cross_docking_set/7N4Q_0BG/7N4Q_0BG_ligand_start_conf.sdf
7NGJ_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_UBN/7NGJ_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_UBN/7NGJ_UBN_ligand_start_conf.sdf
7NGG_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UAK/7NGG_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UAK/7NGG_UAK_ligand_start_conf.sdf
7FEZ_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_6NA/7FEZ_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_6NA/7FEZ_6NA_ligand_start_conf.sdf
7LTY_0BG,CN(CCNC(=O)CNc1ccccc1)c1ncnc2[nH]ccc12,GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7LTY_0BG/7LTY_0BG_protein.pdb,posex_set/posex_cross_docking_set/7LTY_0BG/7LTY_0BG_ligand_start_conf.sdf
9GIF_A1ILQ,N[C@H](CNC(=O)C1=[SH]CC(Cc2ccccc2)=C1)C(=O)O,MSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKGTRITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSR,posex_set/posex_cross_docking_set/9GIF_A1ILQ/9GIF_A1ILQ_protein.pdb,posex_set/posex_cross_docking_set/9GIF_A1ILQ/9GIF_A1ILQ_ligand_start_conf.sdf
7HOE_K3J,CCNc1ccc(C)nn1,SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ,posex_set/posex_cross_docking_set/7HOE_K3J/7HOE_K3J_protein.pdb,posex_set/posex_cross_docking_set/7HOE_K3J/7HOE_K3J_ligand_start_conf.sdf
7B8M_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_T9Z/7B8M_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7B8M_T9Z/7B8M_T9Z_ligand_start_conf.sdf
8BA3_AD5,c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCVCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAAAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8BA3_AD5/8BA3_AD5_protein.pdb,posex_set/posex_cross_docking_set/8BA3_AD5/8BA3_AD5_ligand_start_conf.sdf
7NGX_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_UAZ/7NGX_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGX_UAZ/7NGX_UAZ_ligand_start_conf.sdf
7LE2_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_K2E/7LE2_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LE2_K2E/7LE2_K2E_ligand_start_conf.sdf
7BCD_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_UR4/7BCD_UR4_protein.pdb,posex_set/posex_cross_docking_set/7BCD_UR4/7BCD_UR4_ligand_start_conf.sdf
7V11_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_OT7/7V11_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V11_OT7/7V11_OT7_ligand_start_conf.sdf
5SAV_1IM,O=C(Cc1cccc(C#Cc2cccnc2)c1)Nc1cccc(C(F)(F)F)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAV_1IM/5SAV_1IM_protein.pdb,posex_set/posex_cross_docking_set/5SAV_1IM/5SAV_1IM_ligand_start_conf.sdf
5SI1_JIC,Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SI1_JIC/5SI1_JIC_protein.pdb,posex_set/posex_cross_docking_set/5SI1_JIC/5SI1_JIC_ligand_start_conf.sdf
7H02_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1AK4/7H02_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1AK4/7H02_A1AK4_ligand_start_conf.sdf
7HG8_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_X0S/7HG8_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HG8_X0S/7HG8_X0S_ligand_start_conf.sdf
7RGZ_5BI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGZ_5BI/7RGZ_5BI_protein.pdb,posex_set/posex_cross_docking_set/7RGZ_5BI/7RGZ_5BI_ligand_start_conf.sdf
7FUO_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YQ3/7FUO_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YQ3/7FUO_YQ3_ligand_start_conf.sdf
5SFB_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_K9F/5SFB_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SFB_K9F/5SFB_K9F_ligand_start_conf.sdf
5SGW_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_K9F/5SGW_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SGW_K9F/5SGW_K9F_ligand_start_conf.sdf
8BK0_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_R0O/8BK0_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BK0_R0O/8BK0_R0O_ligand_start_conf.sdf
7GAW_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_SQ5/7GAW_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7GAW_SQ5/7GAW_SQ5_ligand_start_conf.sdf
8V72_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YI8/8V72_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V72_YI8/8V72_YI8_ligand_start_conf.sdf
7H02_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1AK7/7H02_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1AK7/7H02_A1AK7_ligand_start_conf.sdf
7ZB3_XYP,O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZB3_XYP/7ZB3_XYP_protein.pdb,posex_set/posex_cross_docking_set/7ZB3_XYP/7ZB3_XYP_ligand_start_conf.sdf
8ZTX_A1D82,Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCOCC3)c2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQP,posex_set/posex_cross_docking_set/8ZTX_A1D82/8ZTX_A1D82_protein.pdb,posex_set/posex_cross_docking_set/8ZTX_A1D82/8ZTX_A1D82_ligand_start_conf.sdf
8PQ9_98A,Cn1cc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQ9_98A/8PQ9_98A_protein.pdb,posex_set/posex_cross_docking_set/8PQ9_98A/8PQ9_98A_ligand_start_conf.sdf
7HG0_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_ZQD/7HG0_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HG0_ZQD/7HG0_ZQD_ligand_start_conf.sdf
8IXS_L5F,Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IXS_L5F/8IXS_L5F_protein.pdb,posex_set/posex_cross_docking_set/8IXS_L5F/8IXS_L5F_ligand_start_conf.sdf
8V0B_Y9G,O=C(O)c1c[nH]c2c(NCCS(=O)(=O)F)cccc2c1=O,SGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESMLTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS,posex_set/posex_cross_docking_set/8V0B_Y9G/8V0B_Y9G_protein.pdb,posex_set/posex_cross_docking_set/8V0B_Y9G/8V0B_Y9G_ligand_start_conf.sdf
7GZZ_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1AK6/7GZZ_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1AK6/7GZZ_A1AK6_ligand_start_conf.sdf
7NGM_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_UBQ/7NGM_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGM_UBQ/7NGM_UBQ_ligand_start_conf.sdf
7HGA_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_UWS/7HGA_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HGA_UWS/7HGA_UWS_ligand_start_conf.sdf
8AO6_AN2,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](N)(=O)O)[C@@H](O)[C@H]1O,MAHHHHHHMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8AO6_AN2/8AO6_AN2_protein.pdb,posex_set/posex_cross_docking_set/8AO6_AN2/8AO6_AN2_ligand_start_conf.sdf
8PQA_9VV,CC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQA_9VV/8PQA_9VV_protein.pdb,posex_set/posex_cross_docking_set/8PQA_9VV/8PQA_9VV_ligand_start_conf.sdf
7GL3_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_S1U/7GL3_S1U_protein.pdb,posex_set/posex_cross_docking_set/7GL3_S1U/7GL3_S1U_ligand_start_conf.sdf
8QDG_QII,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H]2CCCN2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8QDG_QII/8QDG_QII_protein.pdb,posex_set/posex_cross_docking_set/8QDG_QII/8QDG_QII_ligand_start_conf.sdf
7FEU_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_6NA/7FEU_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FEU_6NA/7FEU_6NA_ligand_start_conf.sdf
8BSB_DAR,NC(=[NH2+])NCCC[C@@H](N)C(=O)O,GPLGSSELDKIQSELLNYTDDTLPAMENVDAIKDKMSYWRRTQFAVLPMKDEAQIRQTIERNNRVQAEINDSLVAYGKTVWPGEEEQTFKRLMGNWNAYTAVTDQFNQTLLTQGADDAYPILANSLSTFEALESDFTLLIGILHQAMDSNKVQILSSVKTLNSTSEFPGRLERPHRD,posex_set/posex_cross_docking_set/8BSB_DAR/8BSB_DAR_protein.pdb,posex_set/posex_cross_docking_set/8BSB_DAR/8BSB_DAR_ligand_start_conf.sdf
7H00_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1ALS/7H00_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1ALS/7H00_A1ALS_ligand_start_conf.sdf
7PHZ_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_R8X/7PHZ_R8X_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_R8X/7PHZ_R8X_ligand_start_conf.sdf
7F11_0BJ,COC(=O)c1cc(C)cc(O)c1C(=O)c1c(O)cccc1O,MGSSHHHHHHSSGLVPRGSHMPAPAEVQAATLEKFIQGWAGWTPDGFLANWSEDCTQKTLPFSSGVPLRTRADTEKLFPVLMSLMSNFTLDIHNVVHDAPQGKAVIYALTKADTPFGPYRNEHAIFLWFNEIGDRVQKIEEMFDAVVIQEFLPKLDKYVADNKMQLGAKFS,posex_set/posex_cross_docking_set/7F11_0BJ/7F11_0BJ_protein.pdb,posex_set/posex_cross_docking_set/7F11_0BJ/7F11_0BJ_ligand_start_conf.sdf
7H0Q_A1ANI,CCNC(=O)c1cc2c(N[C@H](c3ccc4nc(NC(C)=O)sc4c3)C(C)C)ncnc2[nH]1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0Q_A1ANI/7H0Q_A1ANI_protein.pdb,posex_set/posex_cross_docking_set/7H0Q_A1ANI/7H0Q_A1ANI_ligand_start_conf.sdf
7UU0_P4M,COc1cc2c(cc1OC)CC(=O)N(C)C=C2,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_P4M/7UU0_P4M_protein.pdb,posex_set/posex_cross_docking_set/7UU0_P4M/7UU0_P4M_ligand_start_conf.sdf
8V70_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YHN/8V70_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V70_YHN/8V70_YHN_ligand_start_conf.sdf
7S90_OJ3,C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S90_OJ3/7S90_OJ3_protein.pdb,posex_set/posex_cross_docking_set/7S90_OJ3/7S90_OJ3_ligand_start_conf.sdf
8BOI_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QTX/8BOI_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QTX/8BOI_QTX_ligand_start_conf.sdf
7GC0_LDX,Cc1ccncc1NC(=O)CCc1ccccc1F,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC0_LDX/7GC0_LDX_protein.pdb,posex_set/posex_cross_docking_set/7GC0_LDX/7GC0_LDX_ligand_start_conf.sdf
8ZUD_A1D85,Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3CCCNCC3)c2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ,posex_set/posex_cross_docking_set/8ZUD_A1D85/8ZUD_A1D85_protein.pdb,posex_set/posex_cross_docking_set/8ZUD_A1D85/8ZUD_A1D85_ligand_start_conf.sdf
8V74_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YHN/8V74_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V74_YHN/8V74_YHN_ligand_start_conf.sdf
8W8J_W20,Nc1ncnc2c(F)c(-c3ccc(F)c(S(=O)(=O)NC(=O)[C@@H]4CCCN4)c3)ccc12,MGHHHHHHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLRVLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKDRHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFGLMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQADNGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSATEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRGDHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVDRSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGKGTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSRVVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELTAAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGRRDSESQNLPIGELMSFITEKLSR,posex_set/posex_cross_docking_set/8W8J_W20/8W8J_W20_protein.pdb,posex_set/posex_cross_docking_set/8W8J_W20/8W8J_W20_ligand_start_conf.sdf
7Q6U_93L,Cc1nnc2c(NC3CCN(C)CC3)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)nn12,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6U_93L/7Q6U_93L_protein.pdb,posex_set/posex_cross_docking_set/7Q6U_93L/7Q6U_93L_ligand_start_conf.sdf
8QQY_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QTX/8QQY_QTX_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QTX/8QQY_QTX_ligand_start_conf.sdf
7USG_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_QJ1/7USG_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7USG_QJ1/7USG_QJ1_ligand_start_conf.sdf
5SM7_LR9,CCN(C)C(=O)c1cccc(N)c1,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SM7_LR9/5SM7_LR9_protein.pdb,posex_set/posex_cross_docking_set/5SM7_LR9/5SM7_LR9_ligand_start_conf.sdf
8G65_YXN,CCc1cc(C)nn1-c1ccc(N)cc1,MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED,posex_set/posex_cross_docking_set/8G65_YXN/8G65_YXN_protein.pdb,posex_set/posex_cross_docking_set/8G65_YXN/8G65_YXN_ligand_start_conf.sdf
8CCL_U9C,Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1,MAHHHHHHMSTSQTVHDVIIIGSGPAGYTAAIYAARAQLKPLVFEGTQFGGALMTTTEVENYPGFREGITGPELMDQMREQALRFGADLRMEDVDAVQLEGPVKTVVVGDETHQARAVILAMGAAARHLGVPGEEALTGMGVSTCATCDGFFFRDQDIVVVGGGDSAMEEATFLTRFARSVTLIHRRDEFRASKIMLERARANEKITFLTNTEITQIEGDPKVTGVRLRDTVTGEESKLDVTGVFVAIGHDPRSELVRGQVELDDEGYVKVQGRTTYTSLDGVFAAGDLVDHTYRQAITAAGSGCAASIDAERWLAEQD,posex_set/posex_cross_docking_set/8CCL_U9C/8CCL_U9C_protein.pdb,posex_set/posex_cross_docking_set/8CCL_U9C/8CCL_U9C_ligand_start_conf.sdf
8XGV_T6I,Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8XGV_T6I/8XGV_T6I_protein.pdb,posex_set/posex_cross_docking_set/8XGV_T6I/8XGV_T6I_ligand_start_conf.sdf
7FUQ_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YOB/7FUQ_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YOB/7FUQ_YOB_ligand_start_conf.sdf
7FU0_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YUB/7FU0_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YUB/7FU0_YUB_ligand_start_conf.sdf
7GC1_LJ0,Cc1ccncc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC1_LJ0/7GC1_LJ0_protein.pdb,posex_set/posex_cross_docking_set/7GC1_LJ0/7GC1_LJ0_ligand_start_conf.sdf
5SM7_WKA,CC(=O)Nc1cccc2nonc12,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SM7_WKA/5SM7_WKA_protein.pdb,posex_set/posex_cross_docking_set/5SM7_WKA/5SM7_WKA_ligand_start_conf.sdf
7LDZ_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_A61/7LDZ_A61_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_A61/7LDZ_A61_ligand_start_conf.sdf
7FEZ_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_4I6/7FEZ_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_4I6/7FEZ_4I6_ligand_start_conf.sdf
7BCH_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_SWT/7BCH_SWT_protein.pdb,posex_set/posex_cross_docking_set/7BCH_SWT/7BCH_SWT_ligand_start_conf.sdf
7B8M_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_SWT/7B8M_SWT_protein.pdb,posex_set/posex_cross_docking_set/7B8M_SWT/7B8M_SWT_ligand_start_conf.sdf
7LE2_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_DJR/7LE2_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LE2_DJR/7LE2_DJR_ligand_start_conf.sdf
9FY5_81I,O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/9FY5_81I/9FY5_81I_protein.pdb,posex_set/posex_cross_docking_set/9FY5_81I/9FY5_81I_ligand_start_conf.sdf
7NGX_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_UAT/7NGX_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGX_UAT/7NGX_UAT_ligand_start_conf.sdf
7FUO_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YUF/7FUO_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YUF/7FUO_YUF_ligand_start_conf.sdf
7V0Z_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_OTL/7V0Z_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_OTL/7V0Z_OTL_ligand_start_conf.sdf
7GNL_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_U9H/7GNL_U9H_protein.pdb,posex_set/posex_cross_docking_set/7GNL_U9H/7GNL_U9H_ligand_start_conf.sdf
7BCD_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_EJW/7BCD_EJW_protein.pdb,posex_set/posex_cross_docking_set/7BCD_EJW/7BCD_EJW_ligand_start_conf.sdf
7FEU_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_J3R/7FEU_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FEU_J3R/7FEU_J3R_ligand_start_conf.sdf
7NGW_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_UBN/7NGW_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGW_UBN/7NGW_UBN_ligand_start_conf.sdf
9GR6_SFG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,GSHMASENLYFQGMHIRNPYRTPIDYQALSEAFPPLKPFVSVNADGTSSVDLTIPEAQRAFTAALLHRDFGLTMTIPEDRLCPTVPNRLNYVLWIEDIFNYTNKTLGLSDDRPIKGVDIGTGASAIYPMLACARFKAWSMVGTEVERKCIDTARLNVVANNLQDRLSILETSIDGPILVPIFEATEEYEYEFTMCNPPFYDGAADMQTSDAAKGFGFGVGAPHSGTVIEMSTEGGESAFVAQMVRESLKLRTRCRWYTSNLGKLKSLKEIVGLLKELEISNYAINEYVQGSTRRYAVAWSFTDIQLPEELSRPSNPELSSLF,posex_set/posex_cross_docking_set/9GR6_SFG/9GR6_SFG_protein.pdb,posex_set/posex_cross_docking_set/9GR6_SFG/9GR6_SFG_ligand_start_conf.sdf
7HG3_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_X0S/7HG3_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HG3_X0S/7HG3_X0S_ligand_start_conf.sdf
5SJV_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_IZ6/5SJV_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SJV_IZ6/5SJV_IZ6_ligand_start_conf.sdf
8SIX_ZXH,C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIX_ZXH/8SIX_ZXH_protein.pdb,posex_set/posex_cross_docking_set/8SIX_ZXH/8SIX_ZXH_ligand_start_conf.sdf
8V70_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YI8/8V70_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V70_YI8/8V70_YI8_ligand_start_conf.sdf
7BCD_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_SWT/7BCD_SWT_protein.pdb,posex_set/posex_cross_docking_set/7BCD_SWT/7BCD_SWT_ligand_start_conf.sdf
7B4X_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_T3N/7B4X_T3N_protein.pdb,posex_set/posex_cross_docking_set/7B4X_T3N/7B4X_T3N_ligand_start_conf.sdf
8AO6_ANP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8AO6_ANP/8AO6_ANP_protein.pdb,posex_set/posex_cross_docking_set/8AO6_ANP/8AO6_ANP_ligand_start_conf.sdf
7S9G_OJ3,C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S9G_OJ3/7S9G_OJ3_protein.pdb,posex_set/posex_cross_docking_set/7S9G_OJ3/7S9G_OJ3_ligand_start_conf.sdf
7LE5_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_NF7/7LE5_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LE5_NF7/7LE5_NF7_ligand_start_conf.sdf
8QKA_VN6,Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CN5CC(CN)C5)ccc4N(C)S(C)(=O)=O)cc3)CC2)n1,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QKA_VN6/8QKA_VN6_protein.pdb,posex_set/posex_cross_docking_set/8QKA_VN6/8QKA_VN6_ligand_start_conf.sdf
7PHZ_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_KG9/7PHZ_KG9_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_KG9/7PHZ_KG9_ligand_start_conf.sdf
8AQF_81I,O=C(c1ccco1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4ccc(F)cc4)cc3)C2)CC1,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/8AQF_81I/8AQF_81I_protein.pdb,posex_set/posex_cross_docking_set/8AQF_81I/8AQF_81I_ligand_start_conf.sdf
7HG7_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_ZQD/7HG7_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HG7_ZQD/7HG7_ZQD_ligand_start_conf.sdf
8BAK_Q7F,Cc1ccsc1CN(C)Cc1nc(N)nc(Nc2ccccc2)n1,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8BAK_Q7F/8BAK_Q7F_protein.pdb,posex_set/posex_cross_docking_set/8BAK_Q7F/8BAK_Q7F_ligand_start_conf.sdf
7UR3_94M,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT,posex_set/posex_cross_docking_set/7UR3_94M/7UR3_94M_protein.pdb,posex_set/posex_cross_docking_set/7UR3_94M/7UR3_94M_ligand_start_conf.sdf
7V1B_SFG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7V1B_SFG/7V1B_SFG_protein.pdb,posex_set/posex_cross_docking_set/7V1B_SFG/7V1B_SFG_ligand_start_conf.sdf
7A4Q_R7W,O=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1,GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7A4Q_R7W/7A4Q_R7W_protein.pdb,posex_set/posex_cross_docking_set/7A4Q_R7W/7A4Q_R7W_ligand_start_conf.sdf
7NGG_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UAZ/7NGG_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UAZ/7NGG_UAZ_ligand_start_conf.sdf
7V0Z_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_OSX/7V0Z_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_OSX/7V0Z_OSX_ligand_start_conf.sdf
5SIS_JKO,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIS_JKO/5SIS_JKO_protein.pdb,posex_set/posex_cross_docking_set/5SIS_JKO/5SIS_JKO_ligand_start_conf.sdf
5SAU_1IJ,Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAU_1IJ/5SAU_1IJ_protein.pdb,posex_set/posex_cross_docking_set/5SAU_1IJ/5SAU_1IJ_ligand_start_conf.sdf
8PQD_98A,Cn1cc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQD_98A/8PQD_98A_protein.pdb,posex_set/posex_cross_docking_set/8PQD_98A/8PQD_98A_ligand_start_conf.sdf
7FEZ_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_ELA/7FEZ_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_ELA/7FEZ_ELA_ligand_start_conf.sdf
7NGX_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_U9W/7NGX_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGX_U9W/7NGX_U9W_ligand_start_conf.sdf
7R7R_25J,C[C@@H](Oc1cc(-c2cccc3c2CNC3=O)cnc1N)c1cc(F)ccc1-n1nccn1,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7R_25J/7R7R_25J_protein.pdb,posex_set/posex_cross_docking_set/7R7R_25J/7R7R_25J_ligand_start_conf.sdf
8BOM_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_WT3/8BOM_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BOM_WT3/8BOM_WT3_ligand_start_conf.sdf
8A2A_KXY,Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn([C@@H](C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12,GSMNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG,posex_set/posex_cross_docking_set/8A2A_KXY/8A2A_KXY_protein.pdb,posex_set/posex_cross_docking_set/8A2A_KXY/8A2A_KXY_ligand_start_conf.sdf
7HG3_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_TU6/7HG3_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HG3_TU6/7HG3_TU6_ligand_start_conf.sdf
7LE5_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_DJR/7LE5_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LE5_DJR/7LE5_DJR_ligand_start_conf.sdf
9GBE_25J,C[C@@H](Oc1cc(-c2cccc3c2CNC3=O)cnc1N)c1cc(F)ccc1-n1nccn1,GMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMAGRDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/9GBE_25J/9GBE_25J_protein.pdb,posex_set/posex_cross_docking_set/9GBE_25J/9GBE_25J_ligand_start_conf.sdf
8BM8_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_QTX/8BM8_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BM8_QTX/8BM8_QTX_ligand_start_conf.sdf
8PQA_9KI,COC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQA_9KI/8PQA_9KI_protein.pdb,posex_set/posex_cross_docking_set/8PQA_9KI/8PQA_9KI_ligand_start_conf.sdf
8BOI_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QT1/8BOI_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QT1/8BOI_QT1_ligand_start_conf.sdf
7V11_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_OQ6/7V11_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V11_OQ6/7V11_OQ6_ligand_start_conf.sdf
7GZY_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1AK3/7GZY_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1AK3/7GZY_A1AK3_ligand_start_conf.sdf
8BOC_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_QRR/8BOC_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BOC_QRR/8BOC_QRR_ligand_start_conf.sdf
8OV7_5I9,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)CC1,GDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/8OV7_5I9/8OV7_5I9_protein.pdb,posex_set/posex_cross_docking_set/8OV7_5I9/8OV7_5I9_ligand_start_conf.sdf
7R7K_A1IJ8,CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)cc1C2,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7K_A1IJ8/7R7K_A1IJ8_protein.pdb,posex_set/posex_cross_docking_set/7R7K_A1IJ8/7R7K_A1IJ8_ligand_start_conf.sdf
7Q6W_963,COc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cc(OC)c1O,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6W_963/7Q6W_963_protein.pdb,posex_set/posex_cross_docking_set/7Q6W_963/7Q6W_963_ligand_start_conf.sdf
7ZWG_QXZ,COc1cc(Nc2ncc3c(C)nc(-c4cc5ccccc5[nH]4)n3n2)cc(OC)c1OC,SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7ZWG_QXZ/7ZWG_QXZ_protein.pdb,posex_set/posex_cross_docking_set/7ZWG_QXZ/7ZWG_QXZ_ligand_start_conf.sdf
7S7A_7TW,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S7A_7TW/7S7A_7TW_protein.pdb,posex_set/posex_cross_docking_set/7S7A_7TW/7S7A_7TW_ligand_start_conf.sdf
8U2R_AMP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMSDNPHSLHPLSSDSTSQALHSSTKPPATPHEGEFHSVRDSNVVEPTEANGKKSHVGPHLGSRMRIYEYSIEHNDAFWAEIARRDFYWKTTWPDDQHVKSYNFDKSKGPIFVKWFEGAVTNVCYNALDRHLPAHKDRVCFYFEGNDPSVTEAVTYGSMYTRVVELANVLKYQYGIAKGDRVGLYLPMIPFAAVAMLACARIGAVITVIFGGFSAQALSSRLKDAQTKLLITADASARGTKPIPLKDVADEALKECEEEGMSIACLVAENMNRQSCKMKEGRDTWYGDALARLTPEQHEECPVEWMDAEDVLFLLYTSGSTGKPKAIVHTTAGYMVYASTTFMYSFDYHMDDVYFCTADIGWITGHSYVVYGPMIHCATSVLFEGVPNYPDYSRWWQLVEKYKVSILYTAPTAIRSLMQAGDDYVKVGNRSTLRVLGSVGEPINVEAWKWLRDVGGEGHCDVSDTWWQTETGGHMITPMPGCTPMKPGSATLPFFGVQPVILDPMKLHEKQGPAEGLLAIRAPWPGMARTIYGDHARFEKTYFGVDGYYMTGDGARRDSDGYYWITGRVDDVLNVSGHRIGTSEIEDAVNTHPAVVESAVVGFPHNIKGEGIYVFLTFRQGTEVTPELLAAVKATVRKVIGPLATPDVMQVARVGLPKTRSGKIVRRILRKVSAGQYTELGDTSTLANPDVVEDLIAEHQRLCSQN,posex_set/posex_cross_docking_set/8U2R_AMP/8U2R_AMP_protein.pdb,posex_set/posex_cross_docking_set/8U2R_AMP/8U2R_AMP_ligand_start_conf.sdf
7GZZ_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1ALR/7GZZ_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1ALR/7GZZ_A1ALR_ligand_start_conf.sdf
7B2U_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_R7F/7B2U_R7F_protein.pdb,posex_set/posex_cross_docking_set/7B2U_R7F/7B2U_R7F_ligand_start_conf.sdf
8GD2_ZDK,COCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GD2_ZDK/8GD2_ZDK_protein.pdb,posex_set/posex_cross_docking_set/8GD2_ZDK/8GD2_ZDK_ligand_start_conf.sdf
5SAV_1K2,O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAV_1K2/5SAV_1K2_protein.pdb,posex_set/posex_cross_docking_set/5SAV_1K2/5SAV_1K2_ligand_start_conf.sdf
7V13_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OTL/7V13_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V13_OTL/7V13_OTL_ligand_start_conf.sdf
7S7A_88O,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2cc(Cl)ccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S7A_88O/7S7A_88O_protein.pdb,posex_set/posex_cross_docking_set/7S7A_88O/7S7A_88O_ligand_start_conf.sdf
8U2D_0B9,O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1,GLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEE,posex_set/posex_cross_docking_set/8U2D_0B9/8U2D_0B9_protein.pdb,posex_set/posex_cross_docking_set/8U2D_0B9/8U2D_0B9_ligand_start_conf.sdf
8CNC_SDU,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H](N)C(=O)O)[C@H]2CCNC2)[C@@H](O)[C@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8CNC_SDU/8CNC_SDU_protein.pdb,posex_set/posex_cross_docking_set/8CNC_SDU/8CNC_SDU_ligand_start_conf.sdf
7V11_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_OR0/7V11_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V11_OR0/7V11_OR0_ligand_start_conf.sdf
7FU0_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YME/7FU0_YME_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YME/7FU0_YME_ligand_start_conf.sdf
7USH_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_37T/7USH_37T_protein.pdb,posex_set/posex_cross_docking_set/7USH_37T/7USH_37T_ligand_start_conf.sdf
8BPW_S4R,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BPW_S4R/8BPW_S4R_protein.pdb,posex_set/posex_cross_docking_set/8BPW_S4R/8BPW_S4R_ligand_start_conf.sdf
7FDU_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_ELA/7FDU_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FDU_ELA/7FDU_ELA_ligand_start_conf.sdf
8SBT_94M,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/8SBT_94M/8SBT_94M_protein.pdb,posex_set/posex_cross_docking_set/8SBT_94M/8SBT_94M_ligand_start_conf.sdf
5SAV_1JI,O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc(Cl)c(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAV_1JI/5SAV_1JI_protein.pdb,posex_set/posex_cross_docking_set/5SAV_1JI/5SAV_1JI_ligand_start_conf.sdf
7GLA_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_R8X/7GLA_R8X_protein.pdb,posex_set/posex_cross_docking_set/7GLA_R8X/7GLA_R8X_ligand_start_conf.sdf
8V6Z_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YIG/8V6Z_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YIG/8V6Z_YIG_ligand_start_conf.sdf
7HG7_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_VZP/7HG7_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HG7_VZP/7HG7_VZP_ligand_start_conf.sdf
7FU3_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YTU/7FU3_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YTU/7FU3_YTU_ligand_start_conf.sdf
8GF1_ZHE,CC(=O)N[C@H]1[C@H](OCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF1_ZHE/8GF1_ZHE_protein.pdb,posex_set/posex_cross_docking_set/8GF1_ZHE/8GF1_ZHE_ligand_start_conf.sdf
7UR3_ZUY,C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21,MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKT,posex_set/posex_cross_docking_set/7UR3_ZUY/7UR3_ZUY_protein.pdb,posex_set/posex_cross_docking_set/7UR3_ZUY/7UR3_ZUY_ligand_start_conf.sdf
7GNL_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_R8X/7GNL_R8X_protein.pdb,posex_set/posex_cross_docking_set/7GNL_R8X/7GNL_R8X_ligand_start_conf.sdf
5SGV_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_WP3/5SGV_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SGV_WP3/5SGV_WP3_ligand_start_conf.sdf
5SGW_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_WP3/5SGW_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SGW_WP3/5SGW_WP3_ligand_start_conf.sdf
7LE5_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_K2D/7LE5_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LE5_K2D/7LE5_K2D_ligand_start_conf.sdf
8GFF_ZMB,COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFF_ZMB/8GFF_ZMB_protein.pdb,posex_set/posex_cross_docking_set/8GFF_ZMB/8GFF_ZMB_ligand_start_conf.sdf
7LE4_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_DJR/7LE4_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LE4_DJR/7LE4_DJR_ligand_start_conf.sdf
7GZY_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1ALQ/7GZY_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1ALQ/7GZY_A1ALQ_ligand_start_conf.sdf
8I65_BR8,O=C1CC(=O)NC(=O)N1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I65_BR8/8I65_BR8_protein.pdb,posex_set/posex_cross_docking_set/8I65_BR8/8I65_BR8_ligand_start_conf.sdf
7LE4_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_K20/7LE4_K20_protein.pdb,posex_set/posex_cross_docking_set/7LE4_K20/7LE4_K20_ligand_start_conf.sdf
7B8K_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_T9Z/7B8K_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7B8K_T9Z/7B8K_T9Z_ligand_start_conf.sdf
8GEV_ZE2,COc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)c2c1CCCC2,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEV_ZE2/8GEV_ZE2_protein.pdb,posex_set/posex_cross_docking_set/8GEV_ZE2/8GEV_ZE2_ligand_start_conf.sdf
8GEY_ZDK,COCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEY_ZDK/8GEY_ZDK_protein.pdb,posex_set/posex_cross_docking_set/8GEY_ZDK/8GEY_ZDK_ligand_start_conf.sdf
7GZZ_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1AK3/7GZZ_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1AK3/7GZZ_A1AK3_ligand_start_conf.sdf
7BCH_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_EJW/7BCH_EJW_protein.pdb,posex_set/posex_cross_docking_set/7BCH_EJW/7BCH_EJW_ligand_start_conf.sdf
5SGW_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_IK0/5SGW_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SGW_IK0/5SGW_IK0_ligand_start_conf.sdf
5SKP_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_K9F/5SKP_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SKP_K9F/5SKP_K9F_ligand_start_conf.sdf
7FU9_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YMO/7FU9_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YMO/7FU9_YMO_ligand_start_conf.sdf
7B4X_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_GQM/7B4X_GQM_protein.pdb,posex_set/posex_cross_docking_set/7B4X_GQM/7B4X_GQM_ligand_start_conf.sdf
7WA2_BEN,N=C(N)c1ccccc1,IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN,posex_set/posex_cross_docking_set/7WA2_BEN/7WA2_BEN_protein.pdb,posex_set/posex_cross_docking_set/7WA2_BEN/7WA2_BEN_ligand_start_conf.sdf
7GZW_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1AK6/7GZW_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1AK6/7GZW_A1AK6_ligand_start_conf.sdf
7YY5_QX4,Cc1ccc2oc(=O)cc(O)c2c1,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YY5_QX4/7YY5_QX4_protein.pdb,posex_set/posex_cross_docking_set/7YY5_QX4/7YY5_QX4_ligand_start_conf.sdf
7FUO_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YTU/7FUO_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YTU/7FUO_YTU_ligand_start_conf.sdf
7RGY_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGY_57I/7RGY_57I_protein.pdb,posex_set/posex_cross_docking_set/7RGY_57I/7RGY_57I_ligand_start_conf.sdf
7SDD_IHP,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,MKKNHHHHHHLVPRGSKLASSIVCDSTIENPCIVQDSKTQFSPVIRYREVASIADVYGGNITGINKFHLSGSEQPSEKGWEAIAESISRKMGAETKKVIVLDLRQESHGYLNGRAITLVSVYNWINLGKSNSQSTLDQENWLTGLRSRKIVNGVLTVPQYVAKQYSQGKSMVVSTVKNEEYYVYKKGFDYYRIFISDHRAPLDSEVDALVALIKNNPEDTWYHVHSRGGKGRTTTVFAMFDMLKNADKVSFEEIIARQASIPPFYNLMVTNREIPELTPYYEQRLQFLIHFYEFARQSLMGYSGTWSEWKKLNI,posex_set/posex_cross_docking_set/7SDD_IHP/7SDD_IHP_protein.pdb,posex_set/posex_cross_docking_set/7SDD_IHP/7SDD_IHP_ligand_start_conf.sdf
7FU4_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YMI/7FU4_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YMI/7FU4_YMI_ligand_start_conf.sdf
7FW7_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW7_K7C/7FW7_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FW7_K7C/7FW7_K7C_ligand_start_conf.sdf
7FVW_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_GFS/7FVW_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FVW_GFS/7FVW_GFS_ligand_start_conf.sdf
7BC9_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_EJW/7BC9_EJW_protein.pdb,posex_set/posex_cross_docking_set/7BC9_EJW/7BC9_EJW_ligand_start_conf.sdf
7V3R_5I9,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)CC1,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3R_5I9/7V3R_5I9_protein.pdb,posex_set/posex_cross_docking_set/7V3R_5I9/7V3R_5I9_ligand_start_conf.sdf
5SM8_LR9,CCN(C)C(=O)c1cccc(N)c1,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SM8_LR9/5SM8_LR9_protein.pdb,posex_set/posex_cross_docking_set/5SM8_LR9/5SM8_LR9_ligand_start_conf.sdf
7XVW_G39,CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVW_G39/7XVW_G39_protein.pdb,posex_set/posex_cross_docking_set/7XVW_G39/7XVW_G39_ligand_start_conf.sdf
7B98_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_AXV/7B98_AXV_protein.pdb,posex_set/posex_cross_docking_set/7B98_AXV/7B98_AXV_ligand_start_conf.sdf
7FUQ_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YMI/7FUQ_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YMI/7FUQ_YMI_ligand_start_conf.sdf
8SE6_VMB,CN(C)C(=O)[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1,MGPLTESYCGPCPKNWICYKNNCYQFFDEEKNWYESQASCMSQNASLLKVYSKEDQDLLKLVKSYHWMGLVHIPTNGSWQWEDGSSLSPNLLTIIEMQKGDCALYASSFKGYIENCSTPNTYICMQRTV,posex_set/posex_cross_docking_set/8SE6_VMB/8SE6_VMB_protein.pdb,posex_set/posex_cross_docking_set/8SE6_VMB/8SE6_VMB_ligand_start_conf.sdf
7M9G_A61,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_A61/7M9G_A61_protein.pdb,posex_set/posex_cross_docking_set/7M9G_A61/7M9G_A61_ligand_start_conf.sdf
8E80_ZXH,C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E80_ZXH/8E80_ZXH_protein.pdb,posex_set/posex_cross_docking_set/8E80_ZXH/8E80_ZXH_ligand_start_conf.sdf
8I61_ODF,O=c1[nH]cc(O)c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I61_ODF/8I61_ODF_protein.pdb,posex_set/posex_cross_docking_set/8I61_ODF/8I61_ODF_ligand_start_conf.sdf
7LDZ_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_K20/7LDZ_K20_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_K20/7LDZ_K20_ligand_start_conf.sdf
9BOM_RKX,COc1ccc(C(=N)N)cc1,IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN,posex_set/posex_cross_docking_set/9BOM_RKX/9BOM_RKX_protein.pdb,posex_set/posex_cross_docking_set/9BOM_RKX/9BOM_RKX_ligand_start_conf.sdf
7HGA_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_A1A34/7HGA_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HGA_A1A34/7HGA_A1A34_ligand_start_conf.sdf
7GL3_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_U9H/7GL3_U9H_protein.pdb,posex_set/posex_cross_docking_set/7GL3_U9H/7GL3_U9H_ligand_start_conf.sdf
7HG3_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_A1A3P/7HG3_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HG3_A1A3P/7HG3_A1A3P_ligand_start_conf.sdf
9F96_A1IAY,Nc1ccc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F96_A1IAY/9F96_A1IAY_protein.pdb,posex_set/posex_cross_docking_set/9F96_A1IAY/9F96_A1IAY_ligand_start_conf.sdf
7XVW_ZMR,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVW_ZMR/7XVW_ZMR_protein.pdb,posex_set/posex_cross_docking_set/7XVW_ZMR/7XVW_ZMR_ligand_start_conf.sdf
5SKP_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_WP3/5SKP_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SKP_WP3/5SKP_WP3_ligand_start_conf.sdf
8DUH_A1ASN,CCCN1CC(COc2ccc([C@@H]3c4ccc(O)cc4CC4(CC4)N3C(=O)c3ccccc3)cc2)C1,MSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPSYDLLLEMLDAHRLHAPTS,posex_set/posex_cross_docking_set/8DUH_A1ASN/8DUH_A1ASN_protein.pdb,posex_set/posex_cross_docking_set/8DUH_A1ASN/8DUH_A1ASN_ligand_start_conf.sdf
8V73_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YI8/8V73_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V73_YI8/8V73_YI8_ligand_start_conf.sdf
7GZZ_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1AK5/7GZZ_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1AK5/7GZZ_A1AK5_ligand_start_conf.sdf
7B9D_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_AXV/7B9D_AXV_protein.pdb,posex_set/posex_cross_docking_set/7B9D_AXV/7B9D_AXV_ligand_start_conf.sdf
7FW3_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_KWX/7FW3_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FW3_KWX/7FW3_KWX_ligand_start_conf.sdf
7FW1_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_KWX/7FW1_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FW1_KWX/7FW1_KWX_ligand_start_conf.sdf
7HGB_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_VZP/7HGB_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HGB_VZP/7HGB_VZP_ligand_start_conf.sdf
7FDX_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_X90/7FDX_X90_protein.pdb,posex_set/posex_cross_docking_set/7FDX_X90/7FDX_X90_ligand_start_conf.sdf
7FVU_IWI,O=C(O)c1csc(Cc2cccc(Cl)c2)n1,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_IWI/7FVU_IWI_protein.pdb,posex_set/posex_cross_docking_set/7FVU_IWI/7FVU_IWI_ligand_start_conf.sdf
7V15_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_OQ6/7V15_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V15_OQ6/7V15_OQ6_ligand_start_conf.sdf
5SFE_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_KHU/5SFE_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SFE_KHU/5SFE_KHU_ligand_start_conf.sdf
7FW1_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_IUT/7FW1_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FW1_IUT/7FW1_IUT_ligand_start_conf.sdf
7VL7_GYP,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK,posex_set/posex_cross_docking_set/7VL7_GYP/7VL7_GYP_protein.pdb,posex_set/posex_cross_docking_set/7VL7_GYP/7VL7_GYP_ligand_start_conf.sdf
7XH6_EL0,COc1ccc(N2C(=O)CCC[C@H]2c2nc3cc(-c4c(C)noc4C)ccc3n2[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl,MKKGHHHHHHLVPRGSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLAEVFEQEIDPVMQSLG,posex_set/posex_cross_docking_set/7XH6_EL0/7XH6_EL0_protein.pdb,posex_set/posex_cross_docking_set/7XH6_EL0/7XH6_EL0_ligand_start_conf.sdf
8XGV_VCQ,O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8XGV_VCQ/8XGV_VCQ_protein.pdb,posex_set/posex_cross_docking_set/8XGV_VCQ/8XGV_VCQ_ligand_start_conf.sdf
7Q5O_LDR,O=c1[nH]c2ccccc2c2ccccc12,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_LDR/7Q5O_LDR_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_LDR/7Q5O_LDR_ligand_start_conf.sdf
8CNC_QII,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CC[C@H]2CCCN2)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8CNC_QII/8CNC_QII_protein.pdb,posex_set/posex_cross_docking_set/8CNC_QII/8CNC_QII_ligand_start_conf.sdf
5SKP_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_KHU/5SKP_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SKP_KHU/5SKP_KHU_ligand_start_conf.sdf
8R2E_XN0,COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cccc1C3=O,MAHHHHHHRSSTTANKERCLEMVAAWNRWDVSGVVAHWAPDVVHYDDEDKPVSAEEVVRRMNSAVEAFPDLRLDVRSIVGEGDRVMLRITCSATHQGVFMGIAPTGRKVRWTYLEELRFSEAGKVVEHWDVFNFSPLFRDLGVVPDGL,posex_set/posex_cross_docking_set/8R2E_XN0/8R2E_XN0_protein.pdb,posex_set/posex_cross_docking_set/8R2E_XN0/8R2E_XN0_ligand_start_conf.sdf
7FU4_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YUF/7FU4_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YUF/7FU4_YUF_ligand_start_conf.sdf
7FW3_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_GFS/7FW3_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FW3_GFS/7FW3_GFS_ligand_start_conf.sdf
7XVV_BCZ,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVV_BCZ/7XVV_BCZ_protein.pdb,posex_set/posex_cross_docking_set/7XVV_BCZ/7XVV_BCZ_ligand_start_conf.sdf
7FVZ_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_IQH/7FVZ_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_IQH/7FVZ_IQH_ligand_start_conf.sdf
7B4X_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_EJW/7B4X_EJW_protein.pdb,posex_set/posex_cross_docking_set/7B4X_EJW/7B4X_EJW_ligand_start_conf.sdf
7FVU_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_KL3/7FVU_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FVU_KL3/7FVU_KL3_ligand_start_conf.sdf
7VS1_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_37T/7VS1_37T_protein.pdb,posex_set/posex_cross_docking_set/7VS1_37T/7VS1_37T_ligand_start_conf.sdf
7HGE_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_A1A34/7HGE_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HGE_A1A34/7HGE_A1A34_ligand_start_conf.sdf
7OF8_SIU,Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/7OF8_SIU/7OF8_SIU_protein.pdb,posex_set/posex_cross_docking_set/7OF8_SIU/7OF8_SIU_ligand_start_conf.sdf
7V12_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_OT7/7V12_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V12_OT7/7V12_OT7_ligand_start_conf.sdf
5SKN_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_K9F/5SKN_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SKN_K9F/5SKN_K9F_ligand_start_conf.sdf
8SIV_UU6,CC(C)(O)[C@@H]1CCN(c2cc(-n3ncc4ccc([C@]5(C#N)CC56CC6)cc43)ncn2)C1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIV_UU6/8SIV_UU6_protein.pdb,posex_set/posex_cross_docking_set/8SIV_UU6/8SIV_UU6_ligand_start_conf.sdf
8GFF_ZHR,CC(=O)N[C@H]1[C@H](OCCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFF_ZHR/8GFF_ZHR_protein.pdb,posex_set/posex_cross_docking_set/8GFF_ZHR/8GFF_ZHR_ligand_start_conf.sdf
8V71_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YHE/8V71_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V71_YHE/8V71_YHE_ligand_start_conf.sdf
7RH1_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH1_D9J/7RH1_D9J_protein.pdb,posex_set/posex_cross_docking_set/7RH1_D9J/7RH1_D9J_ligand_start_conf.sdf
7GNL_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_R7F/7GNL_R7F_protein.pdb,posex_set/posex_cross_docking_set/7GNL_R7F/7GNL_R7F_ligand_start_conf.sdf
7GCE_L7F,Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCE_L7F/7GCE_L7F_protein.pdb,posex_set/posex_cross_docking_set/7GCE_L7F/7GCE_L7F_ligand_start_conf.sdf
7B2U_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_U9H/7B2U_U9H_protein.pdb,posex_set/posex_cross_docking_set/7B2U_U9H/7B2U_U9H_ligand_start_conf.sdf
7FVZ_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_KL3/7FVZ_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_KL3/7FVZ_KL3_ligand_start_conf.sdf
7FUO_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YMI/7FUO_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YMI/7FUO_YMI_ligand_start_conf.sdf
5SKN_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_WP3/5SKN_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SKN_WP3/5SKN_WP3_ligand_start_conf.sdf
7B4X_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B4X_UR4/7B4X_UR4_protein.pdb,posex_set/posex_cross_docking_set/7B4X_UR4/7B4X_UR4_ligand_start_conf.sdf
8E81_A1AV4,Cn1cc(-n2ncc3cc(Cl)c([C@H]4CC[N@H+](C5COC5)CC4)cc32)cn1,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E81_A1AV4/8E81_A1AV4_protein.pdb,posex_set/posex_cross_docking_set/8E81_A1AV4/8E81_A1AV4_ligand_start_conf.sdf
8UZV_YCI,O=C(O)c1c[nH]c2c(-c3ccc(OS(=O)(=O)F)cc3)cccc2c1=O,SGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESMLTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS,posex_set/posex_cross_docking_set/8UZV_YCI/8UZV_YCI_protein.pdb,posex_set/posex_cross_docking_set/8UZV_YCI/8UZV_YCI_ligand_start_conf.sdf
7B9D_EJW,[NH3+]Cc1cc(-c2ccccc2)no1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_EJW/7B9D_EJW_protein.pdb,posex_set/posex_cross_docking_set/7B9D_EJW/7B9D_EJW_ligand_start_conf.sdf
7RH0_59O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH0_59O/7RH0_59O_protein.pdb,posex_set/posex_cross_docking_set/7RH0_59O/7RH0_59O_ligand_start_conf.sdf
7Q5O_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_O6O/7Q5O_O6O_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_O6O/7Q5O_O6O_ligand_start_conf.sdf
7FU3_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YQ3/7FU3_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YQ3/7FU3_YQ3_ligand_start_conf.sdf
8BOM_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_QUF/8BOM_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BOM_QUF/8BOM_QUF_ligand_start_conf.sdf
7HGB_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_UWS/7HGB_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HGB_UWS/7HGB_UWS_ligand_start_conf.sdf
7GCE_L4N,Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCE_L4N/7GCE_L4N_protein.pdb,posex_set/posex_cross_docking_set/7GCE_L4N/7GCE_L4N_ligand_start_conf.sdf
7HG1_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_TU6/7HG1_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HG1_TU6/7HG1_TU6_ligand_start_conf.sdf
7LE0_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_K2D/7LE0_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LE0_K2D/7LE0_K2D_ligand_start_conf.sdf
8GF0_ZMB,COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF0_ZMB/8GF0_ZMB_protein.pdb,posex_set/posex_cross_docking_set/8GF0_ZMB/8GF0_ZMB_ligand_start_conf.sdf
7V15_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_OT7/7V15_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V15_OT7/7V15_OT7_ligand_start_conf.sdf
7S98_94M,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S98_94M/7S98_94M_protein.pdb,posex_set/posex_cross_docking_set/7S98_94M/7S98_94M_ligand_start_conf.sdf
8SIV_ZXP,C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8SIV_ZXP/8SIV_ZXP_protein.pdb,posex_set/posex_cross_docking_set/8SIV_ZXP/8SIV_ZXP_ligand_start_conf.sdf
8GEY_Z5H,Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEY_Z5H/8GEY_Z5H_protein.pdb,posex_set/posex_cross_docking_set/8GEY_Z5H/8GEY_Z5H_ligand_start_conf.sdf
8QTJ_WX9,C[C@@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTJ_WX9/8QTJ_WX9_protein.pdb,posex_set/posex_cross_docking_set/8QTJ_WX9/8QTJ_WX9_ligand_start_conf.sdf
8GEV_ZDF,CCN(CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEV_ZDF/8GEV_ZDF_protein.pdb,posex_set/posex_cross_docking_set/8GEV_ZDF/8GEV_ZDF_ligand_start_conf.sdf
7FDT_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_4I6/7FDT_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FDT_4I6/7FDT_4I6_ligand_start_conf.sdf
7V0Z_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_ORF/7V0Z_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_ORF/7V0Z_ORF_ligand_start_conf.sdf
8BK0_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_QT1/8BK0_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BK0_QT1/8BK0_QT1_ligand_start_conf.sdf
7Q90_9IK,c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q90_9IK/7Q90_9IK_protein.pdb,posex_set/posex_cross_docking_set/7Q90_9IK/7Q90_9IK_ligand_start_conf.sdf
5SHO_JKO,Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SHO_JKO/5SHO_JKO_protein.pdb,posex_set/posex_cross_docking_set/5SHO_JKO/5SHO_JKO_ligand_start_conf.sdf
8AVA_A1H3S,c1ccc(Oc2ccc(-c3cnc[nH]3)cc2)cc1,MHHHHHHPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD,posex_set/posex_cross_docking_set/8AVA_A1H3S/8AVA_A1H3S_protein.pdb,posex_set/posex_cross_docking_set/8AVA_A1H3S/8AVA_A1H3S_ligand_start_conf.sdf
8I65_ODF,O=c1[nH]cc(O)c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I65_ODF/8I65_ODF_protein.pdb,posex_set/posex_cross_docking_set/8I65_ODF/8I65_ODF_ligand_start_conf.sdf
7Q6W_95O,Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6W_95O/7Q6W_95O_protein.pdb,posex_set/posex_cross_docking_set/7Q6W_95O/7Q6W_95O_ligand_start_conf.sdf
7FEZ_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_OCA/7FEZ_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_OCA/7FEZ_OCA_ligand_start_conf.sdf
7Q5O_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_82V/7Q5O_82V_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_82V/7Q5O_82V_ligand_start_conf.sdf
8B5G_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_7UM/8B5G_7UM_protein.pdb,posex_set/posex_cross_docking_set/8B5G_7UM/8B5G_7UM_ligand_start_conf.sdf
8JM7_FQ6,O=Cc1ccc2c(c1)COCO2,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASVLPFSTPLFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM7_FQ6/8JM7_FQ6_protein.pdb,posex_set/posex_cross_docking_set/8JM7_FQ6/8JM7_FQ6_ligand_start_conf.sdf
7FVY_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_IZ7/7FVY_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FVY_IZ7/7FVY_IZ7_ligand_start_conf.sdf
8U97_ATP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U97_ATP/8U97_ATP_protein.pdb,posex_set/posex_cross_docking_set/8U97_ATP/8U97_ATP_ligand_start_conf.sdf
7S7A_8IQ,O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S7A_8IQ/7S7A_8IQ_protein.pdb,posex_set/posex_cross_docking_set/7S7A_8IQ/7S7A_8IQ_ligand_start_conf.sdf
9F94_A1IAU,Nc1c(O)cc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F94_A1IAU/9F94_A1IAU_protein.pdb,posex_set/posex_cross_docking_set/9F94_A1IAU/9F94_A1IAU_ligand_start_conf.sdf
7N4R_UQX,CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1cccc(C)c1)NC(=O)c1ccc2[nH]ncc2c1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4R_UQX/7N4R_UQX_protein.pdb,posex_set/posex_cross_docking_set/7N4R_UQX/7N4R_UQX_ligand_start_conf.sdf
7LE2_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_NF7/7LE2_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LE2_NF7/7LE2_NF7_ligand_start_conf.sdf
8V71_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YIG/8V71_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V71_YIG/8V71_YIG_ligand_start_conf.sdf
7GAW_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_U9H/7GAW_U9H_protein.pdb,posex_set/posex_cross_docking_set/7GAW_U9H/7GAW_U9H_ligand_start_conf.sdf
7FU4_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YOB/7FU4_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YOB/7FU4_YOB_ligand_start_conf.sdf
7NGU_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_UAK/7NGU_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGU_UAK/7NGU_UAK_ligand_start_conf.sdf
5SGV_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_IZ6/5SGV_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SGV_IZ6/5SGV_IZ6_ligand_start_conf.sdf
7FEU_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_ELA/7FEU_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FEU_ELA/7FEU_ELA_ligand_start_conf.sdf
7V13_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OQO/7V13_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V13_OQO/7V13_OQO_ligand_start_conf.sdf
7V14_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OQ6/7V14_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V14_OQ6/7V14_OQ6_ligand_start_conf.sdf
7B8K_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_GQM/7B8K_GQM_protein.pdb,posex_set/posex_cross_docking_set/7B8K_GQM/7B8K_GQM_ligand_start_conf.sdf
7LE6_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_065/7LE6_065_protein.pdb,posex_set/posex_cross_docking_set/7LE6_065/7LE6_065_ligand_start_conf.sdf
8V72_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YHN/8V72_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V72_YHN/8V72_YHN_ligand_start_conf.sdf
7GBY_L7F,Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GBY_L7F/7GBY_L7F_protein.pdb,posex_set/posex_cross_docking_set/7GBY_L7F/7GBY_L7F_ligand_start_conf.sdf
7RGX_59O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGX_59O/7RGX_59O_protein.pdb,posex_set/posex_cross_docking_set/7RGX_59O/7RGX_59O_ligand_start_conf.sdf
7V13_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_OSX/7V13_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V13_OSX/7V13_OSX_ligand_start_conf.sdf
8BOD_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_QUF/8BOD_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BOD_QUF/8BOD_QUF_ligand_start_conf.sdf
8B5G_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_37T/8B5G_37T_protein.pdb,posex_set/posex_cross_docking_set/8B5G_37T/8B5G_37T_ligand_start_conf.sdf
8R5K_UUI,C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2[S@](=N)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8R5K_UUI/8R5K_UUI_protein.pdb,posex_set/posex_cross_docking_set/8R5K_UUI/8R5K_UUI_ligand_start_conf.sdf
7FU0_YOB,CCCc1cc(=O)n2nc(NCc3cc(-c4ccncc4)ccc3Cl)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YOB/7FU0_YOB_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YOB/7FU0_YOB_ligand_start_conf.sdf
8V74_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YHW/8V74_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V74_YHW/8V74_YHW_ligand_start_conf.sdf
7Q5O_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_QJ1/7Q5O_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_QJ1/7Q5O_QJ1_ligand_start_conf.sdf
7FVX_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_KL3/7FVX_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FVX_KL3/7FVX_KL3_ligand_start_conf.sdf
7ZWG_QY2,CO/N=C1/NC(=O)C(Cc2ccc3ncccc3c2)=[SH]1,SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7ZWG_QY2/7ZWG_QY2_protein.pdb,posex_set/posex_cross_docking_set/7ZWG_QY2/7ZWG_QY2_ligand_start_conf.sdf
9ETR_A1H63,CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O,GPLGSKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT,posex_set/posex_cross_docking_set/9ETR_A1H63/9ETR_A1H63_protein.pdb,posex_set/posex_cross_docking_set/9ETR_A1H63/9ETR_A1H63_ligand_start_conf.sdf
8R5K_A1H78,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(N)=O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8R5K_A1H78/8R5K_A1H78_protein.pdb,posex_set/posex_cross_docking_set/8R5K_A1H78/8R5K_A1H78_ligand_start_conf.sdf
7GC1_L4N,Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC1_L4N/7GC1_L4N_protein.pdb,posex_set/posex_cross_docking_set/7GC1_L4N/7GC1_L4N_ligand_start_conf.sdf
7Q90_9IV,Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q90_9IV/7Q90_9IV_protein.pdb,posex_set/posex_cross_docking_set/7Q90_9IV/7Q90_9IV_ligand_start_conf.sdf
8V6Y_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YIG/8V6Y_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YIG/8V6Y_YIG_ligand_start_conf.sdf
7NGW_UBQ,CCCCCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_UBQ/7NGW_UBQ_protein.pdb,posex_set/posex_cross_docking_set/7NGW_UBQ/7NGW_UBQ_ligand_start_conf.sdf
9F96_A1IAV,Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F96_A1IAV/9F96_A1IAV_protein.pdb,posex_set/posex_cross_docking_set/9F96_A1IAV/9F96_A1IAV_ligand_start_conf.sdf
7GZY_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1ALS/7GZY_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1ALS/7GZY_A1ALS_ligand_start_conf.sdf
8A46_VCQ,O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,GSHMGPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8A46_VCQ/8A46_VCQ_protein.pdb,posex_set/posex_cross_docking_set/8A46_VCQ/8A46_VCQ_ligand_start_conf.sdf
7FBF_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_2AN/7FBF_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FBF_2AN/7FBF_2AN_ligand_start_conf.sdf
7S85_80E,COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S85_80E/7S85_80E_protein.pdb,posex_set/posex_cross_docking_set/7S85_80E/7S85_80E_ligand_start_conf.sdf
7FDU_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_4I1/7FDU_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FDU_4I1/7FDU_4I1_ligand_start_conf.sdf
8E81_ZXP,C[C@@]1(N2CCN(c3cc4cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl)CC2)COC[C@@H]1O,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E81_ZXP/8E81_ZXP_protein.pdb,posex_set/posex_cross_docking_set/8E81_ZXP/8E81_ZXP_ligand_start_conf.sdf
8SBT_ADE,Nc1ncnc2[nH]cnc12,MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/8SBT_ADE/8SBT_ADE_protein.pdb,posex_set/posex_cross_docking_set/8SBT_ADE/8SBT_ADE_ligand_start_conf.sdf
8WTR_KUO,COc1ccccc1[C@H]1OCCCN(C(=O)N2CCC(CC(=O)O)CC2)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21,MDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQN,posex_set/posex_cross_docking_set/8WTR_KUO/8WTR_KUO_protein.pdb,posex_set/posex_cross_docking_set/8WTR_KUO/8WTR_KUO_ligand_start_conf.sdf
7LE6_K2D,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(OC)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_K2D/7LE6_K2D_protein.pdb,posex_set/posex_cross_docking_set/7LE6_K2D/7LE6_K2D_ligand_start_conf.sdf
7HGA_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_A1A3P/7HGA_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HGA_A1A3P/7HGA_A1A3P_ligand_start_conf.sdf
7FTI_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YQ3/7FTI_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YQ3/7FTI_YQ3_ligand_start_conf.sdf
7FW1_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_IZ7/7FW1_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FW1_IZ7/7FW1_IZ7_ligand_start_conf.sdf
7HG1_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_ZQD/7HG1_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HG1_ZQD/7HG1_ZQD_ligand_start_conf.sdf
7FCX_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_J3R/7FCX_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FCX_J3R/7FCX_J3R_ligand_start_conf.sdf
7B2U_KG9,N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_KG9/7B2U_KG9_protein.pdb,posex_set/posex_cross_docking_set/7B2U_KG9/7B2U_KG9_ligand_start_conf.sdf
8V6Y_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YIB/8V6Y_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YIB/8V6Y_YIB_ligand_start_conf.sdf
7V3S_5IE,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c(F)c2)CC1,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3S_5IE/7V3S_5IE_protein.pdb,posex_set/posex_cross_docking_set/7V3S_5IE/7V3S_5IE_ligand_start_conf.sdf
5SGV_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_KHU/5SGV_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SGV_KHU/5SGV_KHU_ligand_start_conf.sdf
7HG7_A1A3P,CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_A1A3P/7HG7_A1A3P_protein.pdb,posex_set/posex_cross_docking_set/7HG7_A1A3P/7HG7_A1A3P_ligand_start_conf.sdf
7S98_OJ3,C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S98_OJ3/7S98_OJ3_protein.pdb,posex_set/posex_cross_docking_set/7S98_OJ3/7S98_OJ3_ligand_start_conf.sdf
7N4Q_UQX,CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1cccc(C)c1)NC(=O)c1ccc2[nH]ncc2c1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4Q_UQX/7N4Q_UQX_protein.pdb,posex_set/posex_cross_docking_set/7N4Q_UQX/7N4Q_UQX_ligand_start_conf.sdf
7V17_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_OR0/7V17_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V17_OR0/7V17_OR0_ligand_start_conf.sdf
8V72_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YIG/8V72_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V72_YIG/8V72_YIG_ligand_start_conf.sdf
8BOM_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_R0O/8BOM_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BOM_R0O/8BOM_R0O_ligand_start_conf.sdf
7H02_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1AK5/7H02_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1AK5/7H02_A1AK5_ligand_start_conf.sdf
7FW1_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_IQH/7FW1_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FW1_IQH/7FW1_IQH_ligand_start_conf.sdf
8GF0_ZHE,CC(=O)N[C@H]1[C@H](OCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF0_ZHE/8GF0_ZHE_protein.pdb,posex_set/posex_cross_docking_set/8GF0_ZHE/8GF0_ZHE_ligand_start_conf.sdf
7GC0_LJ0,Cc1ccncc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC0_LJ0/7GC0_LJ0_protein.pdb,posex_set/posex_cross_docking_set/7GC0_LJ0/7GC0_LJ0_ligand_start_conf.sdf
8V72_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YHE/8V72_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V72_YHE/8V72_YHE_ligand_start_conf.sdf
5SAU_1JI,O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc(Cl)c(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAU_1JI/5SAU_1JI_protein.pdb,posex_set/posex_cross_docking_set/5SAU_1JI/5SAU_1JI_ligand_start_conf.sdf
7GBY_LJ0,Cc1ccncc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GBY_LJ0/7GBY_LJ0_protein.pdb,posex_set/posex_cross_docking_set/7GBY_LJ0/7GBY_LJ0_ligand_start_conf.sdf
9EY3_9QN,O=C1[C@@H]2CCC[C@H]([C@@H](CO)CN1Cc1ccccn1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY3_9QN/9EY3_9QN_protein.pdb,posex_set/posex_cross_docking_set/9EY3_9QN/9EY3_9QN_ligand_start_conf.sdf
7S9G_N6M,CNc1ncnc2[nH]cnc12,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S9G_N6M/7S9G_N6M_protein.pdb,posex_set/posex_cross_docking_set/7S9G_N6M/7S9G_N6M_ligand_start_conf.sdf
7FVY_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_IQH/7FVY_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FVY_IQH/7FVY_IQH_ligand_start_conf.sdf
8IVR_T6I,Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IVR_T6I/8IVR_T6I_protein.pdb,posex_set/posex_cross_docking_set/8IVR_T6I/8IVR_T6I_ligand_start_conf.sdf
5SJV_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_IYW/5SJV_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SJV_IYW/5SJV_IYW_ligand_start_conf.sdf
7H00_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1AK5/7H00_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1AK5/7H00_A1AK5_ligand_start_conf.sdf
7PJK_A1HZ2,COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/7PJK_A1HZ2/7PJK_A1HZ2_protein.pdb,posex_set/posex_cross_docking_set/7PJK_A1HZ2/7PJK_A1HZ2_ligand_start_conf.sdf
7HG7_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_A1A34/7HG7_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HG7_A1A34/7HG7_A1A34_ligand_start_conf.sdf
9CE4_UUF,CC(C)(O)[C@]12CN(c3cc(-n4ncc5ccc(-c6ccn[nH]6)cc54)ncn3)[C@H](C1)C2,PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK,posex_set/posex_cross_docking_set/9CE4_UUF/9CE4_UUF_protein.pdb,posex_set/posex_cross_docking_set/9CE4_UUF/9CE4_UUF_ligand_start_conf.sdf
7VS1_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_82V/7VS1_82V_protein.pdb,posex_set/posex_cross_docking_set/7VS1_82V/7VS1_82V_ligand_start_conf.sdf
7UU0_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_O6O/7UU0_O6O_protein.pdb,posex_set/posex_cross_docking_set/7UU0_O6O/7UU0_O6O_ligand_start_conf.sdf
7R7R_A1IJ8,CCn1nc(Cl)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)cc1C2,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7R_A1IJ8/7R7R_A1IJ8_protein.pdb,posex_set/posex_cross_docking_set/7R7R_A1IJ8/7R7R_A1IJ8_ligand_start_conf.sdf
7GNL_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_R4X/7GNL_R4X_protein.pdb,posex_set/posex_cross_docking_set/7GNL_R4X/7GNL_R4X_ligand_start_conf.sdf
7FDU_4I6,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_4I6/7FDU_4I6_protein.pdb,posex_set/posex_cross_docking_set/7FDU_4I6/7FDU_4I6_ligand_start_conf.sdf
8OGX_VP5,O=C(O)[C@H]1CNCC(O)(O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OGX_VP5/8OGX_VP5_protein.pdb,posex_set/posex_cross_docking_set/8OGX_VP5/8OGX_VP5_ligand_start_conf.sdf
7YY0_I7L,O=C(O)Cc1ccc2ccccc2c1,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YY0_I7L/7YY0_I7L_protein.pdb,posex_set/posex_cross_docking_set/7YY0_I7L/7YY0_I7L_ligand_start_conf.sdf
8QK2_VN6,Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CN5CC(CN)C5)ccc4N(C)S(C)(=O)=O)cc3)CC2)n1,MATLFIADLHLQTEEPEITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFHHHHHH,posex_set/posex_cross_docking_set/8QK2_VN6/8QK2_VN6_protein.pdb,posex_set/posex_cross_docking_set/8QK2_VN6/8QK2_VN6_ligand_start_conf.sdf
8BOD_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_QRR/8BOD_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BOD_QRR/8BOD_QRR_ligand_start_conf.sdf
7B8M_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8M_T3N/7B8M_T3N_protein.pdb,posex_set/posex_cross_docking_set/7B8M_T3N/7B8M_T3N_ligand_start_conf.sdf
9INW_A1BLJ,CN(C)c1cc(-c2ccncc2)c(Cl)nn1,MTVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSLEHHHHHH,posex_set/posex_cross_docking_set/9INW_A1BLJ/9INW_A1BLJ_protein.pdb,posex_set/posex_cross_docking_set/9INW_A1BLJ/9INW_A1BLJ_ligand_start_conf.sdf
9F93_A1IAU,Nc1c(O)cc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F93_A1IAU/9F93_A1IAU_protein.pdb,posex_set/posex_cross_docking_set/9F93_A1IAU/9F93_A1IAU_ligand_start_conf.sdf
7VL7_NOJ,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK,posex_set/posex_cross_docking_set/7VL7_NOJ/7VL7_NOJ_protein.pdb,posex_set/posex_cross_docking_set/7VL7_NOJ/7VL7_NOJ_ligand_start_conf.sdf
8GFD_ZMB,COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFD_ZMB/8GFD_ZMB_protein.pdb,posex_set/posex_cross_docking_set/8GFD_ZMB/8GFD_ZMB_ligand_start_conf.sdf
8A46_A1LVC,CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1,GSHMGPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8A46_A1LVC/8A46_A1LVC_protein.pdb,posex_set/posex_cross_docking_set/8A46_A1LVC/8A46_A1LVC_ligand_start_conf.sdf
7V12_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_ORF/7V12_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V12_ORF/7V12_ORF_ligand_start_conf.sdf
8I6B_5CU,O=C(O)c1c[nH]c(=O)[nH]c1=O,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6B_5CU/8I6B_5CU_protein.pdb,posex_set/posex_cross_docking_set/8I6B_5CU/8I6B_5CU_ligand_start_conf.sdf
7FW3_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_IZ7/7FW3_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FW3_IZ7/7FW3_IZ7_ligand_start_conf.sdf
7GZW_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1AK3/7GZW_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1AK3/7GZW_A1AK3_ligand_start_conf.sdf
7GLF_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_R4X/7GLF_R4X_protein.pdb,posex_set/posex_cross_docking_set/7GLF_R4X/7GLF_R4X_ligand_start_conf.sdf
8J5F_TQR,Nc1ccn([C@@H]2S[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5F_TQR/8J5F_TQR_protein.pdb,posex_set/posex_cross_docking_set/8J5F_TQR/8J5F_TQR_ligand_start_conf.sdf
7LE5_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_065/7LE5_065_protein.pdb,posex_set/posex_cross_docking_set/7LE5_065/7LE5_065_ligand_start_conf.sdf
8V73_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YHS/8V73_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V73_YHS/8V73_YHS_ligand_start_conf.sdf
7BCH_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_GQM/7BCH_GQM_protein.pdb,posex_set/posex_cross_docking_set/7BCH_GQM/7BCH_GQM_ligand_start_conf.sdf
8HQQ_GAL,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMAPKAEVLHWWTGGGEAKALKVLQDEFAAQNGVWLDMPVSGGGGDAAMQTLKARIVANDAPAAAQIKGPTIQEYDEEGVVAPYNIDAVAKKEGWDNLLSKQVASHMKCDDGKAYCAAPVNIHRIDWIWANKKVLDSNGIKMPSTWAEFNAAADKLQANGIIPLAHGSQPWQDATVFEAVALGVGGNDFYRKAFVDLDAATLGGSTMTKVFDQMRKLKGYTDAGSPGRDWNVATGMVMEGKAAFQIMGDWAKGEFAANNMAPGKDYICAPTPSNNGYLYNVDSFIFYKVKGKDKVEGQKLLASLMMGKNFQKVFNIYKGSIPARLDVSMDEFDMCAKKSNADLKTAGSKGGLLPSFAHGMALRLAQKGAIQDVVTEHFNSNMSSSDAAKKLAAAVKASL,posex_set/posex_cross_docking_set/8HQQ_GAL/8HQQ_GAL_protein.pdb,posex_set/posex_cross_docking_set/8HQQ_GAL/8HQQ_GAL_ligand_start_conf.sdf
7USH_LDR,O=c1[nH]c2ccccc2c2ccccc12,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_LDR/7USH_LDR_protein.pdb,posex_set/posex_cross_docking_set/7USH_LDR/7USH_LDR_ligand_start_conf.sdf
7LDZ_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_NF7/7LDZ_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_NF7/7LDZ_NF7_ligand_start_conf.sdf
9FLQ_A1IDE,Cn1cc(-c2cc[n+]3[nH]cc(-c4ccncc4)c3n2)cn1,MHHHHHHSSGVDLGTENLYFQSMGECSQKGPVPFSHCLPTEKLQRCEKIGEGVFGEVFQTIADHTPVAIKIIAIEGPDLVNGSHQKTFEEILPEIIISKELSLLSGEVCNRTEGFIGLNSVHCVQGSYPPLLLKAWDHYNSTKGSANDRPDFFKDDQLFIVLEFEFGGIDLEQMRTKLSSLATAKSILHQLTASLAVAEASLRFEHRDLHWGNVLLKKTSLKKLHYTLNGKSSTIPSCGLQVSIIDYTLSRLERDGIVVFCDVSMDEDLFTGDGDYQFDIYRLMKKENNNRWGEYHPYSNVLWLHYLTDKMLKQMTFKTKCNTPAMKQIKRKIQEFHRTMLNFSSATDLLCQHSLFK,posex_set/posex_cross_docking_set/9FLQ_A1IDE/9FLQ_A1IDE_protein.pdb,posex_set/posex_cross_docking_set/9FLQ_A1IDE/9FLQ_A1IDE_ligand_start_conf.sdf
7HGA_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_VZP/7HGA_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HGA_VZP/7HGA_VZP_ligand_start_conf.sdf
7H01_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1ALQ/7H01_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1ALQ/7H01_A1ALQ_ligand_start_conf.sdf
8JM3_FQ3,CC1(C)OCc2cc(C=O)ccc2O1,IDHHHHHHLANTSAHDFSYLKFVYNATDTSLEGSYDYIVIGGGTSGCPLAATLSEKYKVLLLERGTIATEYPNTLTADGFAYNLQQQDDGKTPVERFVSEDGIDNVRARILGGTTIINAGVYARANISFYSQTGIEWDLDLVNKTYEWVEDAIVVKPNNQSWQSVIGEGFLEAGILPDNGFSLDHEAGTRLTGSTFDNNGTRHAADELLNKGDPNNLLVAVQASVEKILFSSNTSNLSAIGVIYTDSDGNSHQAFVRGNGEVIVSAGTIGTPQLLLLSGVGPESYLSSLNITVVQPNPYVGQFVYDNPRNFINILPPNPIEASVVTVLGIRSDYYQVSASSLPFSTPPFSLFPTTSYPLPNSTFAHIVSQVPGPLSHGSVTLNSSSDVRIAPNIKFNYYSNSTDLANCVSGMKKLGDLLRTKALEPYKARDVLGIDGFNYLGVPLPENQTDDASFETFCLDNVASYWHYHGGSLVGKVLDDSFRVMGIKALRVVDASTFPYEPNSHPQGFYLMLGRYVGLQILQERSIRLEAIHNIQESM,posex_set/posex_cross_docking_set/8JM3_FQ3/8JM3_FQ3_protein.pdb,posex_set/posex_cross_docking_set/8JM3_FQ3/8JM3_FQ3_ligand_start_conf.sdf
8OHV_VON,O=C(O)[C@H]1CN[C@H](O)[C@@H](O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHV_VON/8OHV_VON_protein.pdb,posex_set/posex_cross_docking_set/8OHV_VON/8OHV_VON_ligand_start_conf.sdf
8V6Z_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YHN/8V6Z_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YHN/8V6Z_YHN_ligand_start_conf.sdf
7M9G_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_DJR/7M9G_DJR_protein.pdb,posex_set/posex_cross_docking_set/7M9G_DJR/7M9G_DJR_ligand_start_conf.sdf
8AQF_A1IG3,O=C1CO[C@H]2CCN(C(=O)N3CCC(C(c4ccccc4)c4ccccc4)CC3)C[C@H]2N1,MGSSHHHHHHSSGENLYFQGMPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWAPTGTPKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNSVLPNLSSGPIDSSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADRLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTASPP,posex_set/posex_cross_docking_set/8AQF_A1IG3/8AQF_A1IG3_protein.pdb,posex_set/posex_cross_docking_set/8AQF_A1IG3/8AQF_A1IG3_ligand_start_conf.sdf
7HG0_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_X0S/7HG0_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HG0_X0S/7HG0_X0S_ligand_start_conf.sdf
8GEV_Z5H,Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEV_Z5H/8GEV_Z5H_protein.pdb,posex_set/posex_cross_docking_set/8GEV_Z5H/8GEV_Z5H_ligand_start_conf.sdf
7FU9_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YTU/7FU9_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YTU/7FU9_YTU_ligand_start_conf.sdf
8V73_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YHE/8V73_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V73_YHE/8V73_YHE_ligand_start_conf.sdf
5SKN_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKN_KI8/5SKN_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SKN_KI8/5SKN_KI8_ligand_start_conf.sdf
7NEO_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_R7F/7NEO_R7F_protein.pdb,posex_set/posex_cross_docking_set/7NEO_R7F/7NEO_R7F_ligand_start_conf.sdf
7EGO_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_ELA/7EGO_ELA_protein.pdb,posex_set/posex_cross_docking_set/7EGO_ELA/7EGO_ELA_ligand_start_conf.sdf
8WL9_WEB,OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O,MGSSHHHHHHSSGLVPRGSHMAAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQLFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLKKAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEARRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCANDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPADIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK,posex_set/posex_cross_docking_set/8WL9_WEB/8WL9_WEB_protein.pdb,posex_set/posex_cross_docking_set/8WL9_WEB/8WL9_WEB_ligand_start_conf.sdf
8G69_YW9,Cc1cc(C)n(-c2ccc(N)cc2)n1,MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED,posex_set/posex_cross_docking_set/8G69_YW9/8G69_YW9_protein.pdb,posex_set/posex_cross_docking_set/8G69_YW9/8G69_YW9_ligand_start_conf.sdf
5SFE_K9F,Cn1cc(-c2ccccc2)nc1CCc1cccc2nccnc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_K9F/5SFE_K9F_protein.pdb,posex_set/posex_cross_docking_set/5SFE_K9F/5SFE_K9F_ligand_start_conf.sdf
7H01_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1AK4/7H01_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1AK4/7H01_A1AK4_ligand_start_conf.sdf
8A46_T6I,Cc1ccc([C@@H](NC(=O)[C@@H](F)c2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,GSHMGPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8A46_T6I/8A46_T6I_protein.pdb,posex_set/posex_cross_docking_set/8A46_T6I/8A46_T6I_ligand_start_conf.sdf
9EY4_Y6Z,C[C@H](C[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@H](C)/C=C/CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/9EY4_Y6Z/9EY4_Y6Z_protein.pdb,posex_set/posex_cross_docking_set/9EY4_Y6Z/9EY4_Y6Z_ligand_start_conf.sdf
7ENZ_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,AAHGSNPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7ENZ_82V/7ENZ_82V_protein.pdb,posex_set/posex_cross_docking_set/7ENZ_82V/7ENZ_82V_ligand_start_conf.sdf
7GZV_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1ALR/7GZV_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1ALR/7GZV_A1ALR_ligand_start_conf.sdf
7FVW_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_KWX/7FVW_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FVW_KWX/7FVW_KWX_ligand_start_conf.sdf
5SM8_LPU,CS(=O)(=O)N1CCC(O)CC1,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SM8_LPU/5SM8_LPU_protein.pdb,posex_set/posex_cross_docking_set/5SM8_LPU/5SM8_LPU_ligand_start_conf.sdf
8B5G_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_O6O/8B5G_O6O_protein.pdb,posex_set/posex_cross_docking_set/8B5G_O6O/8B5G_O6O_ligand_start_conf.sdf
7V14_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OSX/7V14_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V14_OSX/7V14_OSX_ligand_start_conf.sdf
7V15_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_OQO/7V15_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V15_OQO/7V15_OQO_ligand_start_conf.sdf
7NGY_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_UAW/7NGY_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGY_UAW/7NGY_UAW_ligand_start_conf.sdf
8UL7_5N6,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)COC(C)=O)O[C@@](O)(C(=O)O)C[C@@H]1O,HMCNKNNTFEKNLDISHKPEPLILFNKDNNIWNSKYFRIPNIQLLNDGTILTFSDIRYNGPDDHAYIDIASARSTDFGKTWSYDIAMKNNRIDSTYSRVMDSTTVITNTGRIILIAGSWNTNGNWAMTTSTRRSDWSVQMIYSDDNGLTWSNKIDLTKDSSKVKNQPSNTIGWLGGVGSGIVMDDGTIVMPAQISLRENNENNYYSLIIYSKDNGETWTMGNKVPNSNTSENMVIELDGALIMSTRYDYSGYRAAYISHDLGSTWEIYEPLNGKVLTGKGSGCQGSFIKATTSNGHRIGLISAPKNTKGEYIRDNIAVYMIDFDDLSKRVQEICIPYPKDGNKLGGGYSCLSFKNSHLSIVYEANGNIEYQDLTPYYSLINKQ,posex_set/posex_cross_docking_set/8UL7_5N6/8UL7_5N6_protein.pdb,posex_set/posex_cross_docking_set/8UL7_5N6/8UL7_5N6_ligand_start_conf.sdf
8BOD_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_QT1/8BOD_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BOD_QT1/8BOD_QT1_ligand_start_conf.sdf
7NGG_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UBN/7NGG_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UBN/7NGG_UBN_ligand_start_conf.sdf
7GZW_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1ALQ/7GZW_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1ALQ/7GZW_A1ALQ_ligand_start_conf.sdf
7NGU_UBN,CCCCCCCCNC(=O)N1CCC(C)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGU_UBN/7NGU_UBN_protein.pdb,posex_set/posex_cross_docking_set/7NGU_UBN/7NGU_UBN_ligand_start_conf.sdf
7V14_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OT7/7V14_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V14_OT7/7V14_OT7_ligand_start_conf.sdf
7VKZ_GYP,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,MKPHNSEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAGFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENKLEHHHHHH,posex_set/posex_cross_docking_set/7VKZ_GYP/7VKZ_GYP_protein.pdb,posex_set/posex_cross_docking_set/7VKZ_GYP/7VKZ_GYP_ligand_start_conf.sdf
7FDX_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_4I1/7FDX_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FDX_4I1/7FDX_4I1_ligand_start_conf.sdf
7V17_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_OQO/7V17_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V17_OQO/7V17_OQO_ligand_start_conf.sdf
7U3H_9QU,O=C(CNCc1cc2ccccc2[nH]1)N[C@H]1CC[C@@H](c2nc3ccccc3[nH]2)CC1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7U3H_9QU/7U3H_9QU_protein.pdb,posex_set/posex_cross_docking_set/7U3H_9QU/7U3H_9QU_ligand_start_conf.sdf
7GZZ_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZZ_A1ALS/7GZZ_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7GZZ_A1ALS/7GZZ_A1ALS_ligand_start_conf.sdf
8BXC_2V9,C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,MHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BXC_2V9/8BXC_2V9_protein.pdb,posex_set/posex_cross_docking_set/8BXC_2V9/8BXC_2V9_ligand_start_conf.sdf
7RXO_7TW,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RXO_7TW/7RXO_7TW_protein.pdb,posex_set/posex_cross_docking_set/7RXO_7TW/7RXO_7TW_ligand_start_conf.sdf
7B2U_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7B2U_X77/7B2U_X77_protein.pdb,posex_set/posex_cross_docking_set/7B2U_X77/7B2U_X77_ligand_start_conf.sdf
7B8K_SWT,Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_SWT/7B8K_SWT_protein.pdb,posex_set/posex_cross_docking_set/7B8K_SWT/7B8K_SWT_ligand_start_conf.sdf
5SIS_JIC,Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIS_JIC/5SIS_JIC_protein.pdb,posex_set/posex_cross_docking_set/5SIS_JIC/5SIS_JIC_ligand_start_conf.sdf
8BOM_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_QTX/8BOM_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BOM_QTX/8BOM_QTX_ligand_start_conf.sdf
7HG0_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_TU6/7HG0_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HG0_TU6/7HG0_TU6_ligand_start_conf.sdf
7FW3_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_IUT/7FW3_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FW3_IUT/7FW3_IUT_ligand_start_conf.sdf
7U3H_L6U,CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)CNCc1ccc(OC)cc1OC)c1cccs1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7U3H_L6U/7U3H_L6U_protein.pdb,posex_set/posex_cross_docking_set/7U3H_L6U/7U3H_L6U_ligand_start_conf.sdf
7VHZ_KQO,COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1,GPSLGYCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNEIQGESVSLGDDPSQPQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQDRF,posex_set/posex_cross_docking_set/7VHZ_KQO/7VHZ_KQO_protein.pdb,posex_set/posex_cross_docking_set/7VHZ_KQO/7VHZ_KQO_ligand_start_conf.sdf
7Q8Y_9IS,COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q8Y_9IS/7Q8Y_9IS_protein.pdb,posex_set/posex_cross_docking_set/7Q8Y_9IS/7Q8Y_9IS_ligand_start_conf.sdf
7H02_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1AK6/7H02_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1AK6/7H02_A1AK6_ligand_start_conf.sdf
7B98_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_UR4/7B98_UR4_protein.pdb,posex_set/posex_cross_docking_set/7B98_UR4/7B98_UR4_ligand_start_conf.sdf
9CE4_ZXH,C[C@@]1(N2CCC(c3cc4cc(NC(=O)C5CC5)ncc4cc3Cl)CC2)COC[C@@H]1O,PFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKK,posex_set/posex_cross_docking_set/9CE4_ZXH/9CE4_ZXH_protein.pdb,posex_set/posex_cross_docking_set/9CE4_ZXH/9CE4_ZXH_ligand_start_conf.sdf
8I6A_5CU,O=C(O)c1c[nH]c(=O)[nH]c1=O,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6A_5CU/8I6A_5CU_protein.pdb,posex_set/posex_cross_docking_set/8I6A_5CU/8I6A_5CU_ligand_start_conf.sdf
8GFD_UM9,CC(=O)N[C@H]1[C@H](OCC(C)(C)C(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFD_UM9/8GFD_UM9_protein.pdb,posex_set/posex_cross_docking_set/8GFD_UM9/8GFD_UM9_ligand_start_conf.sdf
7FVZ_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_IUT/7FVZ_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_IUT/7FVZ_IUT_ligand_start_conf.sdf
7LE6_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_NF7/7LE6_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LE6_NF7/7LE6_NF7_ligand_start_conf.sdf
7H00_A1AK4,CNC(=O)c1cccc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)c1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1AK4/7H00_A1AK4_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1AK4/7H00_A1AK4_ligand_start_conf.sdf
7ZDY_XYP,O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZDY_XYP/7ZDY_XYP_protein.pdb,posex_set/posex_cross_docking_set/7ZDY_XYP/7ZDY_XYP_ligand_start_conf.sdf
8V6Z_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YIB/8V6Z_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YIB/8V6Z_YIB_ligand_start_conf.sdf
7FBF_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_6NA/7FBF_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FBF_6NA/7FBF_6NA_ligand_start_conf.sdf
5SFB_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_WP3/5SFB_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SFB_WP3/5SFB_WP3_ligand_start_conf.sdf
8J5H_CTN,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5H_CTN/8J5H_CTN_protein.pdb,posex_set/posex_cross_docking_set/8J5H_CTN/8J5H_CTN_ligand_start_conf.sdf
7GBY_L4N,Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GBY_L4N/7GBY_L4N_protein.pdb,posex_set/posex_cross_docking_set/7GBY_L4N/7GBY_L4N_ligand_start_conf.sdf
8B5G_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_8M6/8B5G_8M6_protein.pdb,posex_set/posex_cross_docking_set/8B5G_8M6/8B5G_8M6_ligand_start_conf.sdf
7NGJ_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_UAZ/7NGJ_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_UAZ/7NGJ_UAZ_ligand_start_conf.sdf
7FEU_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_2AN/7FEU_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FEU_2AN/7FEU_2AN_ligand_start_conf.sdf
7RGX_5EI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGX_5EI/7RGX_5EI_protein.pdb,posex_set/posex_cross_docking_set/7RGX_5EI/7RGX_5EI_ligand_start_conf.sdf
8V70_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V70_YHS/8V70_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V70_YHS/8V70_YHS_ligand_start_conf.sdf
8QDG_6D6,NCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8QDG_6D6/8QDG_6D6_protein.pdb,posex_set/posex_cross_docking_set/8QDG_6D6/8QDG_6D6_ligand_start_conf.sdf
7V16_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_OTL/7V16_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V16_OTL/7V16_OTL_ligand_start_conf.sdf
7NGM_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_UAW/7NGM_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGM_UAW/7NGM_UAW_ligand_start_conf.sdf
7S85_8FI,O=C(O)c1cc(C(F)(F)F)ccc1NCCc1[nH]nc2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S85_8FI/7S85_8FI_protein.pdb,posex_set/posex_cross_docking_set/7S85_8FI/7S85_8FI_ligand_start_conf.sdf
7LE6_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_K20/7LE6_K20_protein.pdb,posex_set/posex_cross_docking_set/7LE6_K20/7LE6_K20_ligand_start_conf.sdf
7GCE_L5I,Cc1ccncc1NC(=O)[C@H](C)CC1CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCE_L5I/7GCE_L5I_protein.pdb,posex_set/posex_cross_docking_set/7GCE_L5I/7GCE_L5I_ligand_start_conf.sdf
7GZV_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZV_A1AK7/7GZV_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7GZV_A1AK7/7GZV_A1AK7_ligand_start_conf.sdf
7V15_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_OR0/7V15_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V15_OR0/7V15_OR0_ligand_start_conf.sdf
7NEO_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_R4X/7NEO_R4X_protein.pdb,posex_set/posex_cross_docking_set/7NEO_R4X/7NEO_R4X_ligand_start_conf.sdf
7NGJ_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_UAW/7NGJ_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_UAW/7NGJ_UAW_ligand_start_conf.sdf
7Q8Z_9IS,COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1,SMSGGGEQPDILSVGILVKERWKVLRKIGGGGFGEIYDALDMLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNDRFNYVVMQLQGRNLADLRRSQSRGTFTISTTLRLGRQILESIESIHSVGFLHRDIKPSNFAMGRFPSTCRKCYMLDFGLARQFTNSCGDVRPPRAVAGFRGTVRYASINAHRNREMGRHDDLWSLFYMLVEFVVGQLPWRKIKDKEQVGSIKERYDHRLMLKHLPPEFSIFLDHISSLDYFTKPDYQLLTSVFDNSIKTFGVIESDPFDWEK,posex_set/posex_cross_docking_set/7Q8Z_9IS/7Q8Z_9IS_protein.pdb,posex_set/posex_cross_docking_set/7Q8Z_9IS/7Q8Z_9IS_ligand_start_conf.sdf
7VS1_O6O,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)cccc12,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_O6O/7VS1_O6O_protein.pdb,posex_set/posex_cross_docking_set/7VS1_O6O/7VS1_O6O_ligand_start_conf.sdf
7RH0_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH0_57I/7RH0_57I_protein.pdb,posex_set/posex_cross_docking_set/7RH0_57I/7RH0_57I_ligand_start_conf.sdf
7LDZ_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_DJR/7LDZ_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_DJR/7LDZ_DJR_ligand_start_conf.sdf
7FJT_SFG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7FJT_SFG/7FJT_SFG_protein.pdb,posex_set/posex_cross_docking_set/7FJT_SFG/7FJT_SFG_ligand_start_conf.sdf
5SJV_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_KHU/5SJV_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SJV_KHU/5SJV_KHU_ligand_start_conf.sdf
8RRQ_QR7,Cc1nn2cc1CN(C)CCOCCNC(=O)c1cn(C)c3ccc(cc13)Nc1nccc-2n1,GPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVN,posex_set/posex_cross_docking_set/8RRQ_QR7/8RRQ_QR7_protein.pdb,posex_set/posex_cross_docking_set/8RRQ_QR7/8RRQ_QR7_ligand_start_conf.sdf
7F10_0ER,COC(=O)c1c(O)c(C)cc(O)c1C(=O)c1c(O)cccc1O,MGSSHHHHHHSSGLVPRGSHMPAPAEVQAATLEKFIQGWAGWTPDGFLANWSEDCTQKTLPFSSGVPLRTRADTEKLFPVLMSLMSNFTLDIHNVVHDAPQGKAVIYALTKADTPFGPYRNEHAIFLWFNEIGDRVQKIEEMFDAVVIQEFLPKLDKYVADNKMQLGAKFS,posex_set/posex_cross_docking_set/7F10_0ER/7F10_0ER_protein.pdb,posex_set/posex_cross_docking_set/7F10_0ER/7F10_0ER_ligand_start_conf.sdf
7LE4_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE4_K2E/7LE4_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LE4_K2E/7LE4_K2E_ligand_start_conf.sdf
7RWF_80E,COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1,FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RWF_80E/7RWF_80E_protein.pdb,posex_set/posex_cross_docking_set/7RWF_80E/7RWF_80E_ligand_start_conf.sdf
8PQF_9VV,CC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQF_9VV/8PQF_9VV_protein.pdb,posex_set/posex_cross_docking_set/8PQF_9VV/8PQF_9VV_ligand_start_conf.sdf
7XVV_G39,CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVV_G39/7XVV_G39_protein.pdb,posex_set/posex_cross_docking_set/7XVV_G39/7XVV_G39_ligand_start_conf.sdf
7V14_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OTL/7V14_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V14_OTL/7V14_OTL_ligand_start_conf.sdf
5SB2_1IF,Nc1ccc(C#Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB2_1IF/5SB2_1IF_protein.pdb,posex_set/posex_cross_docking_set/5SB2_1IF/5SB2_1IF_ligand_start_conf.sdf
7EGO_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_2AN/7EGO_2AN_protein.pdb,posex_set/posex_cross_docking_set/7EGO_2AN/7EGO_2AN_ligand_start_conf.sdf
7UU0_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_8M6/7UU0_8M6_protein.pdb,posex_set/posex_cross_docking_set/7UU0_8M6/7UU0_8M6_ligand_start_conf.sdf
7HG1_VZP,CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_VZP/7HG1_VZP_protein.pdb,posex_set/posex_cross_docking_set/7HG1_VZP/7HG1_VZP_ligand_start_conf.sdf
7BC9_GQM,COc1ccc(-c2cc[nH]n2)c(O)c1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BC9_GQM/7BC9_GQM_protein.pdb,posex_set/posex_cross_docking_set/7BC9_GQM/7BC9_GQM_ligand_start_conf.sdf
7OF8_A1LVC,CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1,GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/7OF8_A1LVC/7OF8_A1LVC_protein.pdb,posex_set/posex_cross_docking_set/7OF8_A1LVC/7OF8_A1LVC_ligand_start_conf.sdf
7HG8_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG8_ZQD/7HG8_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HG8_ZQD/7HG8_ZQD_ligand_start_conf.sdf
7FTI_YTU,O=c1cc(C(F)(F)F)[nH]c2nc(NCc3ccc(-c4ccccc4)cc3)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YTU/7FTI_YTU_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YTU/7FTI_YTU_ligand_start_conf.sdf
7LDZ_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_XUY/7LDZ_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_XUY/7LDZ_XUY_ligand_start_conf.sdf
7Q5O_37T,Cn1cnc2c1c(=O)[nH]c(=O)n2C,ALSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMP,posex_set/posex_cross_docking_set/7Q5O_37T/7Q5O_37T_protein.pdb,posex_set/posex_cross_docking_set/7Q5O_37T/7Q5O_37T_ligand_start_conf.sdf
8GFD_ZHE,CC(=O)N[C@H]1[C@H](OCC2CCCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFD_ZHE/8GFD_ZHE_protein.pdb,posex_set/posex_cross_docking_set/8GFD_ZHE/8GFD_ZHE_ligand_start_conf.sdf
7GL3_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GL3_R8X/7GL3_R8X_protein.pdb,posex_set/posex_cross_docking_set/7GL3_R8X/7GL3_R8X_ligand_start_conf.sdf
8PT0_AN2,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](N)(=O)O)[C@@H](O)[C@H]1O,GSASMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8PT0_AN2/8PT0_AN2_protein.pdb,posex_set/posex_cross_docking_set/8PT0_AN2/8PT0_AN2_ligand_start_conf.sdf
9GBE_AWJ,Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2N2NC=CN2)c1,GMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMAGRDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/9GBE_AWJ/9GBE_AWJ_protein.pdb,posex_set/posex_cross_docking_set/9GBE_AWJ/9GBE_AWJ_ligand_start_conf.sdf
7GLF_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_X77/7GLF_X77_protein.pdb,posex_set/posex_cross_docking_set/7GLF_X77/7GLF_X77_ligand_start_conf.sdf
7NGM_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_UAT/7NGM_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGM_UAT/7NGM_UAT_ligand_start_conf.sdf
8BI2_A1H2W,Cc1cc(C)cc(Nc2nccc(-c3cc(C(=O)N[C@H]4CCCC[C@H]4N)n(C)n3)n2)c1,MDTEVYESPYADPEEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNHHHHHH,posex_set/posex_cross_docking_set/8BI2_A1H2W/8BI2_A1H2W_protein.pdb,posex_set/posex_cross_docking_set/8BI2_A1H2W/8BI2_A1H2W_ligand_start_conf.sdf
7LE6_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_DJR/7LE6_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LE6_DJR/7LE6_DJR_ligand_start_conf.sdf
7XFA_5A4,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-],MGSSHHHHHHSSGETVRFQGHMGAPAGPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7XFA_5A4/7XFA_5A4_protein.pdb,posex_set/posex_cross_docking_set/7XFA_5A4/7XFA_5A4_ligand_start_conf.sdf
7FBF_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_4I1/7FBF_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FBF_4I1/7FBF_4I1_ligand_start_conf.sdf
5SGW_KHU,CC(=O)Nc1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGW_KHU/5SGW_KHU_protein.pdb,posex_set/posex_cross_docking_set/5SGW_KHU/5SGW_KHU_ligand_start_conf.sdf
8V6W_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YIG/8V6W_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YIG/8V6W_YIG_ligand_start_conf.sdf
7LDY_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_065/7LDY_065_protein.pdb,posex_set/posex_cross_docking_set/7LDY_065/7LDY_065_ligand_start_conf.sdf
7FCX_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_ELA/7FCX_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FCX_ELA/7FCX_ELA_ligand_start_conf.sdf
8QTG_A1IEW,C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTG_A1IEW/8QTG_A1IEW_protein.pdb,posex_set/posex_cross_docking_set/8QTG_A1IEW/8QTG_A1IEW_ligand_start_conf.sdf
7XVU_ZMR,CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N,GSLVPRGSPSRSEFTEWRFPKSTCPGRSLQKMLQLNPHRHATAGSQAATIPNREPFISCSQDECRLFTLDHDVSTPGAYDGITWEDRSKRRRLVSFPLGSELTLDNMKVHLSGWSGTACHDGKEWTYATVNGPDNSAVMRLKYGDQIRGSFPSYANNILRTQESECVCIDGKCYIIVIDGPAGGTATPKVLVTREGEVTSEIIVTGRNKMGEECSCLATNRTWIECLCRDNAFSAKRPIIRIDTVAGTARGYLMCSDTYLDTPRPADGSITGSCETDGTSGGGGVKGAFALSRTTEATTERFYVRTVSSSARSGAVFYKTTDDPTESNNPLTLIGTAVGGAIPMWYSFSFEIPGKVCDQTCIGLEMGLTMGHQLWTSNSVAVYCVIGDNLDWDSTTDVVPADIV,posex_set/posex_cross_docking_set/7XVU_ZMR/7XVU_ZMR_protein.pdb,posex_set/posex_cross_docking_set/7XVU_ZMR/7XVU_ZMR_ligand_start_conf.sdf
9C1R_W3W,C[C@@H](c1cccc(-c2cnc[nH]2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O,MQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARNMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHHHHHH,posex_set/posex_cross_docking_set/9C1R_W3W/9C1R_W3W_protein.pdb,posex_set/posex_cross_docking_set/9C1R_W3W/9C1R_W3W_ligand_start_conf.sdf
7H02_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1ALQ/7H02_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1ALQ/7H02_A1ALQ_ligand_start_conf.sdf
8OGX_VON,O=C(O)[C@H]1CN[C@H](O)[C@@H](O)[C@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OGX_VON/8OGX_VON_protein.pdb,posex_set/posex_cross_docking_set/8OGX_VON/8OGX_VON_ligand_start_conf.sdf
7HG7_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_UWS/7HG7_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HG7_UWS/7HG7_UWS_ligand_start_conf.sdf
5SFE_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_KI8/5SFE_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SFE_KI8/5SFE_KI8_ligand_start_conf.sdf
7LE6_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE6_XUY/7LE6_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LE6_XUY/7LE6_XUY_ligand_start_conf.sdf
8V71_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YHS/8V71_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V71_YHS/8V71_YHS_ligand_start_conf.sdf
7V11_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_OSX/7V11_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V11_OSX/7V11_OSX_ligand_start_conf.sdf
7NGX_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_UAK/7NGX_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGX_UAK/7NGX_UAK_ligand_start_conf.sdf
7FUB_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YUF/7FUB_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YUF/7FUB_YUF_ligand_start_conf.sdf
7B98_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_T9Q/7B98_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7B98_T9Q/7B98_T9Q_ligand_start_conf.sdf
7LE5_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE5_XUY/7LE5_XUY_protein.pdb,posex_set/posex_cross_docking_set/7LE5_XUY/7LE5_XUY_ligand_start_conf.sdf
8QQY_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QRR/8QQY_QRR_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QRR/8QQY_QRR_ligand_start_conf.sdf
8HUT_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,GLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSAGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIM,posex_set/posex_cross_docking_set/8HUT_X77/8HUT_X77_protein.pdb,posex_set/posex_cross_docking_set/8HUT_X77/8HUT_X77_ligand_start_conf.sdf
7V11_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_ORU/7V11_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V11_ORU/7V11_ORU_ligand_start_conf.sdf
7V0Z_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_ORU/7V0Z_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_ORU/7V0Z_ORU_ligand_start_conf.sdf
7VRQ_LDR,O=c1[nH]c2ccccc2c2ccccc12,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_LDR/7VRQ_LDR_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_LDR/7VRQ_LDR_ligand_start_conf.sdf
8IXS_A1LVC,CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IXS_A1LVC/8IXS_A1LVC_protein.pdb,posex_set/posex_cross_docking_set/8IXS_A1LVC/8IXS_A1LVC_ligand_start_conf.sdf
7FDU_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_2AN/7FDU_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FDU_2AN/7FDU_2AN_ligand_start_conf.sdf
7NGY_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_U9W/7NGY_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGY_U9W/7NGY_U9W_ligand_start_conf.sdf
5SKP_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_IK0/5SKP_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SKP_IK0/5SKP_IK0_ligand_start_conf.sdf
8OYZ_W6T,Nc1ncc2ccccc2n1,GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLT,posex_set/posex_cross_docking_set/8OYZ_W6T/8OYZ_W6T_protein.pdb,posex_set/posex_cross_docking_set/8OYZ_W6T/8OYZ_W6T_ligand_start_conf.sdf
7S4T_7TW,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S4T_7TW/7S4T_7TW_protein.pdb,posex_set/posex_cross_docking_set/7S4T_7TW/7S4T_7TW_ligand_start_conf.sdf
7FVX_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_GFS/7FVX_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FVX_GFS/7FVX_GFS_ligand_start_conf.sdf
7Q6U_95O,Cc1nnc2c(N)cc(C(=O)N3[C@H]4Cc5ccccc5[C@@H]3CNC4=O)cn12,SMQEEDTFRELRIFLRNVTHRLAIDKRFRVFTKPVDPDEVPDYVTVIKQPMDLSSVISKIDLHKYLTVKDYLRDIDLICSNALEYNPDRDPGDRLIRHRACALRDTAYAIIKEELDEDFEQLCEEIQESR,posex_set/posex_cross_docking_set/7Q6U_95O/7Q6U_95O_protein.pdb,posex_set/posex_cross_docking_set/7Q6U_95O/7Q6U_95O_ligand_start_conf.sdf
7NEO_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_S1U/7NEO_S1U_protein.pdb,posex_set/posex_cross_docking_set/7NEO_S1U/7NEO_S1U_ligand_start_conf.sdf
7EGO_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7EGO_OCA/7EGO_OCA_protein.pdb,posex_set/posex_cross_docking_set/7EGO_OCA/7EGO_OCA_ligand_start_conf.sdf
7FW1_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW1_KL3/7FW1_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FW1_KL3/7FW1_KL3_ligand_start_conf.sdf
8SBT_OJ3,C[C@](O)(CCCc1ccccc1)c1cc(C(=O)N2Cc3ccc(F)cc3C2)ccc1O,MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/8SBT_OJ3/8SBT_OJ3_protein.pdb,posex_set/posex_cross_docking_set/8SBT_OJ3/8SBT_OJ3_ligand_start_conf.sdf
7NGM_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_UAZ/7NGM_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGM_UAZ/7NGM_UAZ_ligand_start_conf.sdf
7A4Q_QXZ,COc1cc(Nc2ncc3c(C)nc(-c4cc5ccccc5[nH]4)n3n2)cc(OC)c1OC,GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7A4Q_QXZ/7A4Q_QXZ_protein.pdb,posex_set/posex_cross_docking_set/7A4Q_QXZ/7A4Q_QXZ_ligand_start_conf.sdf
7FDU_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_J3R/7FDU_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FDU_J3R/7FDU_J3R_ligand_start_conf.sdf
7PHZ_R7F,CC(C)(O)c1ccc2cncc(NC(=O)[C@@H]3CCNc4ccc(Cl)cc43)c2c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7PHZ_R7F/7PHZ_R7F_protein.pdb,posex_set/posex_cross_docking_set/7PHZ_R7F/7PHZ_R7F_ligand_start_conf.sdf
7FVU_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_IQH/7FVU_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FVU_IQH/7FVU_IQH_ligand_start_conf.sdf
7GC0_L7F,Cc1ccncc1NC(=O)C[C@@]12CCC[C@@H]1C2,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC0_L7F/7GC0_L7F_protein.pdb,posex_set/posex_cross_docking_set/7GC0_L7F/7GC0_L7F_ligand_start_conf.sdf
7RWF_8FI,O=C(O)c1cc(C(F)(F)F)ccc1NCCc1[nH]nc2ccccc12,FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RWF_8FI/7RWF_8FI_protein.pdb,posex_set/posex_cross_docking_set/7RWF_8FI/7RWF_8FI_ligand_start_conf.sdf
7SI5_9JL,Cc1cc(CN(C)C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C#N)nc12,DAVSIESGTNTERPDTPTNTPNAPGRKSWGKGKWKSKKCKYSFKCVNSLKEDHNQPLFGVQFNWHSKEGDPLVFATVGSNRVTLYECHSQGEIRLLQSYVDADADENFYTCAWTYDSNTSHPLLAVAGSRGIIRIINPITMQCIKHYVGHGNAINELKFHPRDPNLLLSVSKDHALRLWNIQTDTLVAIFGGVEGHRDEVLSADYDLLGEKIMSCGMDHSLKLWRINSKRMMNAIKESYDYNPNKTNRPFISQKIHFPDFSTRDIHRNYVDCVRWLGDLILSKSCENAIVCWKPGKMEDDIDKIKPSESNVTILGRFDYSQCDIWYMRFSMDFWQKMLALGNQVGKLYVWDLEVEDPHKAKCTTLTHHKCGAAIRQTSFSRDSSILIAVCDDASIWRWDRLR,posex_set/posex_cross_docking_set/7SI5_9JL/7SI5_9JL_protein.pdb,posex_set/posex_cross_docking_set/7SI5_9JL/7SI5_9JL_ligand_start_conf.sdf
8BOI_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QJI/8BOI_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QJI/8BOI_QJI_ligand_start_conf.sdf
7B98_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_T3N/7B98_T3N_protein.pdb,posex_set/posex_cross_docking_set/7B98_T3N/7B98_T3N_ligand_start_conf.sdf
7GCJ_L4N,Cc1ccncc1NC(=O)[C@@H]1CCC2(CC2)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCJ_L4N/7GCJ_L4N_protein.pdb,posex_set/posex_cross_docking_set/7GCJ_L4N/7GCJ_L4N_ligand_start_conf.sdf
7FVZ_GFS,O=C(O)c1ccccc1C(=O)[C@H]1c2ccccc2S[C@@H]1c1csc2ccccc12,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_GFS/7FVZ_GFS_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_GFS/7FVZ_GFS_ligand_start_conf.sdf
8QTK_A1IEW,C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3nn(-c4cccc([C@]5(c6nncn6C)C[C@@H](C)C5)c4)c(=O)n3c2)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTK_A1IEW/8QTK_A1IEW_protein.pdb,posex_set/posex_cross_docking_set/8QTK_A1IEW/8QTK_A1IEW_ligand_start_conf.sdf
8IVR_A1LVC,CCOc1cccnc1Cc1ccc([C@H](F)C(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IVR_A1LVC/8IVR_A1LVC_protein.pdb,posex_set/posex_cross_docking_set/8IVR_A1LVC/8IVR_A1LVC_ligand_start_conf.sdf
7S7A_80E,COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S7A_80E/7S7A_80E_protein.pdb,posex_set/posex_cross_docking_set/7S7A_80E/7S7A_80E_ligand_start_conf.sdf
8V74_YIG,c1ccc(Oc2ccc(-c3onc4ccc(-c5nnn[nH]5)cc34)cc2)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YIG/8V74_YIG_protein.pdb,posex_set/posex_cross_docking_set/8V74_YIG/8V74_YIG_ligand_start_conf.sdf
8V72_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YHW/8V72_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V72_YHW/8V72_YHW_ligand_start_conf.sdf
8I6B_ORO,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6B_ORO/8I6B_ORO_protein.pdb,posex_set/posex_cross_docking_set/8I6B_ORO/8I6B_ORO_ligand_start_conf.sdf
7S85_7TW,O=C(O)c1cc([N+](=O)[O-])ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S85_7TW/7S85_7TW_protein.pdb,posex_set/posex_cross_docking_set/7S85_7TW/7S85_7TW_ligand_start_conf.sdf
7FDT_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_J3R/7FDT_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FDT_J3R/7FDT_J3R_ligand_start_conf.sdf
7XJM_NSD,NCCCNCCCN,AMAKDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTQGAGYDLVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIPYIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALSKLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGMLWNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFLLRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQDEVGEASVLYDEYFQKLKVND,posex_set/posex_cross_docking_set/7XJM_NSD/7XJM_NSD_protein.pdb,posex_set/posex_cross_docking_set/7XJM_NSD/7XJM_NSD_ligand_start_conf.sdf
7FU3_YUB,O=c1cc(CNc2ccccc2F)[nH]c2nc(NCc3ccccc3Cl)nn12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YUB/7FU3_YUB_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YUB/7FU3_YUB_ligand_start_conf.sdf
8ZU2_A1D83,Cc1ccc(O)c(C)c1-c1cc(-c2ccncc2)cc(C(N)=O)c1N,HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ,posex_set/posex_cross_docking_set/8ZU2_A1D83/8ZU2_A1D83_protein.pdb,posex_set/posex_cross_docking_set/8ZU2_A1D83/8ZU2_A1D83_ligand_start_conf.sdf
8BM2_S4R,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,MGHHHHHHSSGVDLGTENLYFQSMDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/8BM2_S4R/8BM2_S4R_protein.pdb,posex_set/posex_cross_docking_set/8BM2_S4R/8BM2_S4R_ligand_start_conf.sdf
8V73_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YHN/8V73_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V73_YHN/8V73_YHN_ligand_start_conf.sdf
7HGE_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_UWS/7HGE_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HGE_UWS/7HGE_UWS_ligand_start_conf.sdf
7FW3_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_K7C/7FW3_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FW3_K7C/7FW3_K7C_ligand_start_conf.sdf
7HG3_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG3_UWS/7HG3_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HG3_UWS/7HG3_UWS_ligand_start_conf.sdf
7LDZ_K2E,CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDZ_K2E/7LDZ_K2E_protein.pdb,posex_set/posex_cross_docking_set/7LDZ_K2E/7LDZ_K2E_ligand_start_conf.sdf
7FTI_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FTI_YMO/7FTI_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FTI_YMO/7FTI_YMO_ligand_start_conf.sdf
7YZU_A1H5E,CCCCCCCCO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,MDAELKIFVSSQHQPDIWRKALDQYEAKTPGVKVVIETGGNTSEMQAQYLNTVMSAKDSSLDVLMLDVIRPAQFATAGWTSDFSGKDLSAYLPTYAEANTVNGKIVALPAFADSMFLYYRKDLLDKYGIKPPTTWDELKEASKKVMEGEKNPELQGLSFQGKAIEGAVCTFLLPYWSEGKSLVENGKLNFDNKAAVDSLKLWKSFVDDGISKKNISEVATDDTRKEFQAGKVLFAVNWSYAWTHFQGKESQVNDKVGVARLPAVKGGEQTTCLGGWEFGVSAYSKQQDEAKKLVEYLSSQDVSKFMAINAALLPTYAALYKDADVTKTIPWFADALPVVETAKARPVTPRYNEVSETIRTTVNGVLAGVMTPEDGAKQMESRLRRVLRLEHHHHHH,posex_set/posex_cross_docking_set/7YZU_A1H5E/7YZU_A1H5E_protein.pdb,posex_set/posex_cross_docking_set/7YZU_A1H5E/7YZU_A1H5E_ligand_start_conf.sdf
7FVU_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_KWX/7FVU_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FVU_KWX/7FVU_KWX_ligand_start_conf.sdf
7FU0_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YQ3/7FU0_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YQ3/7FU0_YQ3_ligand_start_conf.sdf
8BOC_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_QTX/8BOC_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BOC_QTX/8BOC_QTX_ligand_start_conf.sdf
7HG7_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG7_X0S/7HG7_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HG7_X0S/7HG7_X0S_ligand_start_conf.sdf
8BIN_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_QU6/8BIN_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BIN_QU6/8BIN_QU6_ligand_start_conf.sdf
8GEM_ZE2,COc1ccc(S(=O)(=O)N2CCC(O)(CO)CC2)c2c1CCCC2,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEM_ZE2/8GEM_ZE2_protein.pdb,posex_set/posex_cross_docking_set/8GEM_ZE2/8GEM_ZE2_ligand_start_conf.sdf
7FVY_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_K7C/7FVY_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FVY_K7C/7FVY_K7C_ligand_start_conf.sdf
7M9G_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_K20/7M9G_K20_protein.pdb,posex_set/posex_cross_docking_set/7M9G_K20/7M9G_K20_ligand_start_conf.sdf
7HGE_TU6,Cc1cc(N2CCCCC2)nc(CO)n1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_TU6/7HGE_TU6_protein.pdb,posex_set/posex_cross_docking_set/7HGE_TU6/7HGE_TU6_ligand_start_conf.sdf
8H7R_WYW,CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1,EVQLVESGGGLVQPGGSLRLSCVGSGRVRTINTAGWYRQAPGQEPEFLARITVGGTTSYADSVKGRFTISRDLAKSTVYLQMDYLKPEDTAVYYCNADFDFGSRTAWGQGTQVTVSSGQAGQHHHHHHGAYPYDVPDYAS,posex_set/posex_cross_docking_set/8H7R_WYW/8H7R_WYW_protein.pdb,posex_set/posex_cross_docking_set/8H7R_WYW/8H7R_WYW_ligand_start_conf.sdf
8V6Z_YJQ,O=C(Nc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1)C1CC1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YJQ/8V6Z_YJQ_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YJQ/8V6Z_YJQ_ligand_start_conf.sdf
8BAJ_A1H70,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(=O)O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8BAJ_A1H70/8BAJ_A1H70_protein.pdb,posex_set/posex_cross_docking_set/8BAJ_A1H70/8BAJ_A1H70_ligand_start_conf.sdf
5SFB_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFB_KI8/5SFB_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SFB_KI8/5SFB_KI8_ligand_start_conf.sdf
8IVT_RXF,CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1,METDNVELAQSKRKVVLAEQGSFYIGGRTVTGPGKFDPSKPVIPYSNEGATFYINQMYVNFQAPVRPRGLPLVFWHGGGLTGHIWESTPDGRPGFQTLFVQDRHTVYTIDQPGRGRGNIPTFNGPFGQLEEESIVNTVTGNSSKEGAWVRDRLGPAPGQFFENSQFPRGYEDNYFKEMGFSPSISSDEIVDAVVKLVTHIGPCVLVTHAASGVLGMRVATHAKNVRGIVAYEPATSIFPKGKVPEIPPLADKKSQIFPPFEIQESYFKKLAKIPIQFVFGDNIPKNPKSAYWFLDWWRVTRYAHSLSLEAINKLGGQASLLDLPTAGLRGNTAFPFTDRNNVQVASLLSDFLGKHGLDQNESLEHHHHHH,posex_set/posex_cross_docking_set/8IVT_RXF/8IVT_RXF_protein.pdb,posex_set/posex_cross_docking_set/8IVT_RXF/8IVT_RXF_ligand_start_conf.sdf
7VRQ_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_QJ1/7VRQ_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_QJ1/7VRQ_QJ1_ligand_start_conf.sdf
7V15_ORF,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2c(F)cncc2Cl)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_ORF/7V15_ORF_protein.pdb,posex_set/posex_cross_docking_set/7V15_ORF/7V15_ORF_ligand_start_conf.sdf
9F94_A1IAV,Nc1ccc(-c2ccc(F)cc2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F94_A1IAV/9F94_A1IAV_protein.pdb,posex_set/posex_cross_docking_set/9F94_A1IAV/9F94_A1IAV_ligand_start_conf.sdf
8WTQ_KV3,COc1ccccc1[C@H]1OCCN([C@@H]2CCC[C@H](C(=O)O)C2)C(=O)CC(=O)N(CC(C)(C)C)c2ccc(Cl)cc21,MDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQN,posex_set/posex_cross_docking_set/8WTQ_KV3/8WTQ_KV3_protein.pdb,posex_set/posex_cross_docking_set/8WTQ_KV3/8WTQ_KV3_ligand_start_conf.sdf
7USG_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USG_82V/7USG_82V_protein.pdb,posex_set/posex_cross_docking_set/7USG_82V/7USG_82V_ligand_start_conf.sdf
7V12_OSX,Cc1ncsc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V12_OSX/7V12_OSX_protein.pdb,posex_set/posex_cross_docking_set/7V12_OSX/7V12_OSX_ligand_start_conf.sdf
7GLA_R4X,O=C(Nc1cncc2ccccc12)[C@@H]1CN(S(=O)(=O)N2CCC2)Cc2ccc(Cl)cc21,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_R4X/7GLA_R4X_protein.pdb,posex_set/posex_cross_docking_set/7GLA_R4X/7GLA_R4X_ligand_start_conf.sdf
8A3A_KOX,O=C1N=CCC(SCc2ccccc2Cl)=N1,GSHMGASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV,posex_set/posex_cross_docking_set/8A3A_KOX/8A3A_KOX_protein.pdb,posex_set/posex_cross_docking_set/8A3A_KOX/8A3A_KOX_ligand_start_conf.sdf
8BIN_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_QUF/8BIN_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BIN_QUF/8BIN_QUF_ligand_start_conf.sdf
7GZX_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1ALR/7GZX_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1ALR/7GZX_A1ALR_ligand_start_conf.sdf
7M9G_XUY,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2ncsc2c1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNVIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7M9G_XUY/7M9G_XUY_protein.pdb,posex_set/posex_cross_docking_set/7M9G_XUY/7M9G_XUY_ligand_start_conf.sdf
7FDT_6NA,CCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_6NA/7FDT_6NA_protein.pdb,posex_set/posex_cross_docking_set/7FDT_6NA/7FDT_6NA_ligand_start_conf.sdf
7V16_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_OQO/7V16_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V16_OQO/7V16_OQO_ligand_start_conf.sdf
7S4T_80E,COC(=O)c1ccc(NCCc2c[nH]c3ccccc23)c(C(=O)O)c1,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S4T_80E/7S4T_80E_protein.pdb,posex_set/posex_cross_docking_set/7S4T_80E/7S4T_80E_ligand_start_conf.sdf
7FBF_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FBF_X90/7FBF_X90_protein.pdb,posex_set/posex_cross_docking_set/7FBF_X90/7FBF_X90_ligand_start_conf.sdf
8CHN_A1H70,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(=O)O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8CHN_A1H70/8CHN_A1H70_protein.pdb,posex_set/posex_cross_docking_set/8CHN_A1H70/8CHN_A1H70_ligand_start_conf.sdf
8RX7_OVO,Nc1nc(-c2ccc(Cc3ccccc3)cc2)co1,GPGPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD,posex_set/posex_cross_docking_set/8RX7_OVO/8RX7_OVO_protein.pdb,posex_set/posex_cross_docking_set/8RX7_OVO/8RX7_OVO_ligand_start_conf.sdf
7NGM_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGM_U9W/7NGM_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGM_U9W/7NGM_U9W_ligand_start_conf.sdf
8GF0_ZHR,CC(=O)N[C@H]1[C@H](OCCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF0_ZHR/8GF0_ZHR_protein.pdb,posex_set/posex_cross_docking_set/8GF0_ZHR/8GF0_ZHR_ligand_start_conf.sdf
7HGE_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGE_EJQ/7HGE_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HGE_EJQ/7HGE_EJQ_ligand_start_conf.sdf
5SMG_WKA,CC(=O)Nc1cccc2nonc12,SMLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTRLQ,posex_set/posex_cross_docking_set/5SMG_WKA/5SMG_WKA_protein.pdb,posex_set/posex_cross_docking_set/5SMG_WKA/5SMG_WKA_ligand_start_conf.sdf
8V74_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YI8/8V74_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V74_YI8/8V74_YI8_ligand_start_conf.sdf
8BOI_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QUF/8BOI_QUF_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QUF/8BOI_QUF_ligand_start_conf.sdf
7GZX_A1ALQ,Cn1ncc(-c2cc3c(N[C@H](c4ccc5c(n4)OCCO5)C(C)(C)C)ncnc3[nH]2)c1C#N,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1ALQ/7GZX_A1ALQ_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1ALQ/7GZX_A1ALQ_ligand_start_conf.sdf
8W8L_W1Q,Nc1ncnc2cc(-c3cccc(S(=O)(=O)NC(=O)[C@@H]4CCCN4)c3)cc(F)c12,MGHHHHHHMRTSQYLLSTLKETPADAVVISHQLLLRAGMIRRLASGLYTWLPMGLRVLRKVETIVREEMNAAGALEVLMPAVQPAELWQESGRWEQYGPELLRLKDRHEREFCVGPTHEEVITDLARNELNSYKQLPINFYQIQTKFRDEIRPRFGLMRGREFIMKDAYSFHLSQDSLQQTYDGMYQAYSKIFSRLGLDFRPVQADNGSIGGSGSHEFHVLANSGEDDIVFSDSSDYAANIEKAEAVPRESARGSATEDMRLVDTPNTKTIAALVDGFQLPIEKTIKTLVVHGAEEGTLVALIVRGDHELNEIKAANQPLVASPLVFASEAEIRAAIGAGPGSLGPVNLPIACIVDRSVALMSDFAAGANIEDKHYFGVNWERDLPLPEVADLRNVVEGDPSPDGKGTLVIKRGIEVGHIFQLGTKYSEAMKLSVLSEQGKPVNLIMGCYGIGVSRVVAAAIEQNHDERGILWPSALAPFQIALVPLKYETESVKQATDKLYAELTAAGFEVLLDDRDKKTSPGVKFADMELIGIPHRIVISDRGLSEGVLEYKGRRDSESQNLPIGELMSFITEKLSR,posex_set/posex_cross_docking_set/8W8L_W1Q/8W8L_W1Q_protein.pdb,posex_set/posex_cross_docking_set/8W8L_W1Q/8W8L_W1Q_ligand_start_conf.sdf
7GAW_S1U,CCN1CCN(c2ccc(NC(=O)CN3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc2)CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_S1U/7GAW_S1U_protein.pdb,posex_set/posex_cross_docking_set/7GAW_S1U/7GAW_S1U_ligand_start_conf.sdf
7H02_A1ALR,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3)cc12)c1ccc2c(c1)S(=O)(=O)NCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H02_A1ALR/7H02_A1ALR_protein.pdb,posex_set/posex_cross_docking_set/7H02_A1ALR/7H02_A1ALR_ligand_start_conf.sdf
7VS1_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,GSHMQDPEQLKHCNGILKELLSSKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VS1_QJ1/7VS1_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7VS1_QJ1/7VS1_QJ1_ligand_start_conf.sdf
8SBT_N6M,CNc1ncnc2[nH]cnc12,MGSSHHHHHHSSGLVPRGSHMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/8SBT_N6M/8SBT_N6M_protein.pdb,posex_set/posex_cross_docking_set/8SBT_N6M/8SBT_N6M_ligand_start_conf.sdf
8IVR_VCQ,O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IVR_VCQ/8IVR_VCQ_protein.pdb,posex_set/posex_cross_docking_set/8IVR_VCQ/8IVR_VCQ_ligand_start_conf.sdf
7LE2_065,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE2_065/7LE2_065_protein.pdb,posex_set/posex_cross_docking_set/7LE2_065/7LE2_065_ligand_start_conf.sdf
8PQ9_9VV,CC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQ9_9VV/8PQ9_9VV_protein.pdb,posex_set/posex_cross_docking_set/8PQ9_9VV/8PQ9_9VV_ligand_start_conf.sdf
7S9G_ZUY,C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S9G_ZUY/7S9G_ZUY_protein.pdb,posex_set/posex_cross_docking_set/7S9G_ZUY/7S9G_ZUY_ligand_start_conf.sdf
7SDB_4IP,O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,MKKNHHHHHHLVPRGSKLASSIVCDSTIENPCIVQDSKTQFSPVIRYREVASIADVYGGNITGINKFHLSGSEQPSEKGWEAIAESISRKMGAETKKVIVLDLRQESHGYLNGRAITLVSVYNWINLGKSNSQSTLDQENWLTGLRSRKIVNGVLTVPQYVAKQYSQGKSMVVSTVKNEEYYVYKKGFDYYRIFISDHRAPLDSEVDALVALIKNNPEDTWYHVHSRGGKGRTTTVFAMFDMLKNADKVSFEEIIARQASIPPFYNLMVTNREIPELTPYYEQRLQFLIHFYEFARQSLMGYSGTWSEWKKLNI,posex_set/posex_cross_docking_set/7SDB_4IP/7SDB_4IP_protein.pdb,posex_set/posex_cross_docking_set/7SDB_4IP/7SDB_4IP_ligand_start_conf.sdf
7HGB_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_EJQ/7HGB_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HGB_EJQ/7HGB_EJQ_ligand_start_conf.sdf
7LE0_NF7,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc([C@@H](O)CO)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_NF7/7LE0_NF7_protein.pdb,posex_set/posex_cross_docking_set/7LE0_NF7/7LE0_NF7_ligand_start_conf.sdf
8PST_ANP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O,GSASMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8PST_ANP/8PST_ANP_protein.pdb,posex_set/posex_cross_docking_set/8PST_ANP/8PST_ANP_ligand_start_conf.sdf
7FVU_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVU_K7C/7FVU_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FVU_K7C/7FVU_K7C_ligand_start_conf.sdf
7RH0_D9J,Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(Cl)c(F)c4)nn3)[C@H]2O)n(-c2cc(Cl)ccc2C(F)(F)F)n1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH0_D9J/7RH0_D9J_protein.pdb,posex_set/posex_cross_docking_set/7RH0_D9J/7RH0_D9J_ligand_start_conf.sdf
7S90_N6M,CNc1ncnc2[nH]cnc12,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S90_N6M/7S90_N6M_protein.pdb,posex_set/posex_cross_docking_set/7S90_N6M/7S90_N6M_ligand_start_conf.sdf
8BOC_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_WT3/8BOC_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BOC_WT3/8BOC_WT3_ligand_start_conf.sdf
7NGG_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UAW/7NGG_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UAW/7NGG_UAW_ligand_start_conf.sdf
5SFE_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SFE_IK0/5SFE_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SFE_IK0/5SFE_IK0_ligand_start_conf.sdf
7GNL_X77,CC(C)(C)c1ccc(N(C(=O)c2c[nH]cn2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)cc1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GNL_X77/7GNL_X77_protein.pdb,posex_set/posex_cross_docking_set/7GNL_X77/7GNL_X77_ligand_start_conf.sdf
8QTJ_WUQ,Cn1cnnc1[C@]1(c2cccc(-c3cc(C(F)(F)F)c[nH]c3=O)c2)C[C@H](C)C1,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/8QTJ_WUQ/8QTJ_WUQ_protein.pdb,posex_set/posex_cross_docking_set/8QTJ_WUQ/8QTJ_WUQ_ligand_start_conf.sdf
8IVR_L5F,Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IVR_L5F/8IVR_L5F_protein.pdb,posex_set/posex_cross_docking_set/8IVR_L5F/8IVR_L5F_ligand_start_conf.sdf
7N4Q_YD7,CC(C)OC1CN(C(=O)N[C@@H]2CCCCc3cc(-c4ccnc(Nc5cnn(C)c5)n4)ccc32)C1,GYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7N4Q_YD7/7N4Q_YD7_protein.pdb,posex_set/posex_cross_docking_set/7N4Q_YD7/7N4Q_YD7_ligand_start_conf.sdf
5SAW_1K2,O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(Cl)cc(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAW_1K2/5SAW_1K2_protein.pdb,posex_set/posex_cross_docking_set/5SAW_1K2/5SAW_1K2_ligand_start_conf.sdf
8PQF_98A,Cn1cc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQF_98A/8PQF_98A_protein.pdb,posex_set/posex_cross_docking_set/8PQF_98A/8PQF_98A_ligand_start_conf.sdf
8GEZ_UL6,CC(=O)N[C@H]1[C@H](OC[C@@H]2COCCO2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GEZ_UL6/8GEZ_UL6_protein.pdb,posex_set/posex_cross_docking_set/8GEZ_UL6/8GEZ_UL6_ligand_start_conf.sdf
8BAJ_UUI,C=C[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2[S@](=N)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8BAJ_UUI/8BAJ_UUI_protein.pdb,posex_set/posex_cross_docking_set/8BAJ_UUI/8BAJ_UUI_ligand_start_conf.sdf
7H0S_A1AMV,CCNC(=O)c1cc2c(N[C@H](c3ccnc(N)c3)C(C)C)ncnc2[nH]1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0S_A1AMV/7H0S_A1AMV_protein.pdb,posex_set/posex_cross_docking_set/7H0S_A1AMV/7H0S_A1AMV_ligand_start_conf.sdf
7NGJ_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_UAK/7NGJ_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_UAK/7NGJ_UAK_ligand_start_conf.sdf
7NGX_UAW,CC1CCN(C(=O)Nc2ccc(O)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGX_UAW/7NGX_UAW_protein.pdb,posex_set/posex_cross_docking_set/7NGX_UAW/7NGX_UAW_ligand_start_conf.sdf
7RWF_8IQ,O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12,FMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RWF_8IQ/7RWF_8IQ_protein.pdb,posex_set/posex_cross_docking_set/7RWF_8IQ/7RWF_8IQ_ligand_start_conf.sdf
7HG1_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG1_EJQ/7HG1_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HG1_EJQ/7HG1_EJQ_ligand_start_conf.sdf
8WLB_RIP,O[C@@H]1[C@H](O)[C@H](O)CO[C@H]1O,MGSSHHHHHHSSGLVPRGSHMAAEYAVVLKTLSNPFWVDMKKGIEDEAKTLGVSVDIFASPSEGDFQSQLQLFEDLSNKKYKGIAFAPLSSVNLVMPVARAWQKGLYLVNLDEKIDMDNLKKAGGNVEGFVTTDNVAVGAKGADFIINKLGAEGGEVAIIEGKAGNASGEARRNGATEAFKKANQIKLVASQPADWDRIKALDVATNVLQRNPNLKAFYCANDTMAMGVAQAVANAGKIGKVLVVGTDGIPEARKMVEAGQMTATVAQNPADIGATGLKLMVDAAKTGKVIPLEKTPEFKLVDSILVTK,posex_set/posex_cross_docking_set/8WLB_RIP/8WLB_RIP_protein.pdb,posex_set/posex_cross_docking_set/8WLB_RIP/8WLB_RIP_ligand_start_conf.sdf
7NGG_UAT,CC1CCN(C(=O)NCc2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGG_UAT/7NGG_UAT_protein.pdb,posex_set/posex_cross_docking_set/7NGG_UAT/7NGG_UAT_ligand_start_conf.sdf
7S4T_8IQ,O=C(O)c1cc(OC(F)(F)F)ccc1NCCc1c[nH]c2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S4T_8IQ/7S4T_8IQ_protein.pdb,posex_set/posex_cross_docking_set/7S4T_8IQ/7S4T_8IQ_ligand_start_conf.sdf
8J5F_TV0,Nc1ccn([C@@H]2S[C@@](O)(CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5F_TV0/8J5F_TV0_protein.pdb,posex_set/posex_cross_docking_set/8J5F_TV0/8J5F_TV0_ligand_start_conf.sdf
7H0B_A1AMV,CCNC(=O)c1cc2c(N[C@H](c3ccnc(N)c3)C(C)C)ncnc2[nH]1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0B_A1AMV/7H0B_A1AMV_protein.pdb,posex_set/posex_cross_docking_set/7H0B_A1AMV/7H0B_A1AMV_ligand_start_conf.sdf
8BOI_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_QU6/8BOI_QU6_protein.pdb,posex_set/posex_cross_docking_set/8BOI_QU6/8BOI_QU6_ligand_start_conf.sdf
7FEU_4I1,CCCCCCCCCCC/C=C\CCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_4I1/7FEU_4I1_protein.pdb,posex_set/posex_cross_docking_set/7FEU_4I1/7FEU_4I1_ligand_start_conf.sdf
5SIM_JSM,CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SIM_JSM/5SIM_JSM_protein.pdb,posex_set/posex_cross_docking_set/5SIM_JSM/5SIM_JSM_ligand_start_conf.sdf
7VRQ_82V,O=c1cc(N2CCOCC2)oc2c(-c3ccc4c(c3)OCCO4)csc12,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_82V/7VRQ_82V_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_82V/7VRQ_82V_ligand_start_conf.sdf
7B8K_T9Q,COCC(=O)NCc1ccccc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_T9Q/7B8K_T9Q_protein.pdb,posex_set/posex_cross_docking_set/7B8K_T9Q/7B8K_T9Q_ligand_start_conf.sdf
7ZDY_IVG,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,MELYRDPSQPIEVRVRDLLSRMTLEEKVAQLGSVWGYELIDERGKFSREKAKELLKNGIGQITRPGGSTNLEPQEAAELVNEIQRFLVEETRLGIPAMIHEECLTGYMGLGGTNFPQAIAMASTWDPDLIEKMTTAVREDMRKIGAHQGLAPVLDVARDPRWGRTEETFGESPYLVARMGVSYVKGLQGEDIKKGVVATVKHFAGYSASEGGKNWAPTNIPEREFKEVFLFPFEAAVKEANVLSVMNSYSEIDGVPCAANRKLLTDILRKDWGFEGIVVSDYFAVKVLEDYHRIARDKSEAARLALEAGIDVELPKTECYQYLKDLVEKGIISEALIDEAVTRVLRLKFMLGLFENPYVEVEKAKIESHRDIALEIARKSIILLKNDGILPLQKNKKVALIGPNAGEVRNLLGDYMYLAHIRALLDNIDDVFGNPQIPRENYERLKKSIEEHMKSIPSVLDAFKEEGIEFEYAKGCEVTGEDRSGFEEAIEIAKKSDVAIVVVGDKSGLTLDCTTGESRDMANLKLPGVQEELVLEVAKTGKPVVLVLITGRPYSLKNVVDKVNAILQVWLPGEAGGRAIVDIIYGKVNPSGKLPISFPRSAGQIPVFHYVKPSGGRSHWHGDYVDESTKPLFPFGHGLSYTKFEYSNLRIEPKEVPPAGEVVIKVDVENIGDRDGDEVVQLYIGREFASVTRPVKELKGFKRVSLKAKEKKTVVFRLHMDVLAYYNRDMKLVVEPGEFKVMVGSSSEDIRLTGSFSVVGEKREVVGMRKFFTEACEEAAALEENLYFQGAHHHHHHHHHH,posex_set/posex_cross_docking_set/7ZDY_IVG/7ZDY_IVG_protein.pdb,posex_set/posex_cross_docking_set/7ZDY_IVG/7ZDY_IVG_ligand_start_conf.sdf
8E9F_M4U,COc1cc(CN2CCc3c(cc(Cn4ccnc4C)cc3-c3cn(C)nc3C(F)(F)F)C2=O)cc(OC)c1,PVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC,posex_set/posex_cross_docking_set/8E9F_M4U/8E9F_M4U_protein.pdb,posex_set/posex_cross_docking_set/8E9F_M4U/8E9F_M4U_ligand_start_conf.sdf
7RGX_5BI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGX_5BI/7RGX_5BI_protein.pdb,posex_set/posex_cross_docking_set/7RGX_5BI/7RGX_5BI_ligand_start_conf.sdf
8V71_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YHW/8V71_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V71_YHW/8V71_YHW_ligand_start_conf.sdf
7FW3_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FW3_IQH/7FW3_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FW3_IQH/7FW3_IQH_ligand_start_conf.sdf
8BAK_Q8U,Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8BAK_Q8U/8BAK_Q8U_protein.pdb,posex_set/posex_cross_docking_set/8BAK_Q8U/8BAK_Q8U_ligand_start_conf.sdf
7S98_ZUY,C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S98_ZUY/7S98_ZUY_protein.pdb,posex_set/posex_cross_docking_set/7S98_ZUY/7S98_ZUY_ligand_start_conf.sdf
7H00_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1AK6/7H00_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1AK6/7H00_A1AK6_ligand_start_conf.sdf
7LTY_0B9,O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1,GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES,posex_set/posex_cross_docking_set/7LTY_0B9/7LTY_0B9_protein.pdb,posex_set/posex_cross_docking_set/7LTY_0B9/7LTY_0B9_ligand_start_conf.sdf
7RGY_5EI,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1cccc([N+](=O)[O-])c1,MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGY_5EI/7RGY_5EI_protein.pdb,posex_set/posex_cross_docking_set/7RGY_5EI/7RGY_5EI_ligand_start_conf.sdf
9MIU_A1L2V,O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(O)cc1O,TVFRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKEIQHPNVITLHEVYENKTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNVPKPRIKIIDFGLAHKIDFGNEFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQETLANVSAVNYEFEDEYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQHPWIKPKDTQQALSSAWSHPQFEKSAWSHPQFEK,posex_set/posex_cross_docking_set/9MIU_A1L2V/9MIU_A1L2V_protein.pdb,posex_set/posex_cross_docking_set/9MIU_A1L2V/9MIU_A1L2V_ligand_start_conf.sdf
7H01_A1AK6,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1AK6/7H01_A1AK6_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1AK6/7H01_A1AK6_ligand_start_conf.sdf
5SAW_1JI,O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc(Cl)c(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAW_1JI/5SAW_1JI_protein.pdb,posex_set/posex_cross_docking_set/5SAW_1JI/5SAW_1JI_ligand_start_conf.sdf
7FVX_IQH,O=C(O)c1csc(CCc2cccc(Cl)c2)n1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_IQH/7FVX_IQH_protein.pdb,posex_set/posex_cross_docking_set/7FVX_IQH/7FVX_IQH_ligand_start_conf.sdf
7ZWE_QY2,CO/N=C1/NC(=O)C(Cc2ccc3ncccc3c2)=[SH]1,GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7ZWE_QY2/7ZWE_QY2_protein.pdb,posex_set/posex_cross_docking_set/7ZWE_QY2/7ZWE_QY2_ligand_start_conf.sdf
7ZWE_R7W,O=C1NC(=O)/C(=C/c2ccc3ncccc3c2)S1,GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK,posex_set/posex_cross_docking_set/7ZWE_R7W/7ZWE_R7W_protein.pdb,posex_set/posex_cross_docking_set/7ZWE_R7W/7ZWE_R7W_ligand_start_conf.sdf
8YKL_7YY,Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1,GLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSAGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIM,posex_set/posex_cross_docking_set/8YKL_7YY/8YKL_7YY_protein.pdb,posex_set/posex_cross_docking_set/8YKL_7YY/8YKL_7YY_ligand_start_conf.sdf
9GBE_NRR,CN(C)/C=C\C(=O)c1ccc2[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc3c2c1,GMQMELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILMELMAGRDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/9GBE_NRR/9GBE_NRR_protein.pdb,posex_set/posex_cross_docking_set/9GBE_NRR/9GBE_NRR_ligand_start_conf.sdf
8BAJ_A1H78,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(N)=O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNSKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8BAJ_A1H78/8BAJ_A1H78_protein.pdb,posex_set/posex_cross_docking_set/8BAJ_A1H78/8BAJ_A1H78_ligand_start_conf.sdf
8BIN_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_QT1/8BIN_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BIN_QT1/8BIN_QT1_ligand_start_conf.sdf
7FDX_ELA,CCCCCCCC/C=C/CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_ELA/7FDX_ELA_protein.pdb,posex_set/posex_cross_docking_set/7FDX_ELA/7FDX_ELA_ligand_start_conf.sdf
7FVY_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_KWX/7FVY_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FVY_KWX/7FVY_KWX_ligand_start_conf.sdf
8BIN_QTX,Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BIN_QTX/8BIN_QTX_protein.pdb,posex_set/posex_cross_docking_set/8BIN_QTX/8BIN_QTX_ligand_start_conf.sdf
7FDX_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDX_J3R/7FDX_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FDX_J3R/7FDX_J3R_ligand_start_conf.sdf
7B98_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B98_T9Z/7B98_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7B98_T9Z/7B98_T9Z_ligand_start_conf.sdf
7RGZ_57I,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGZ_57I/7RGZ_57I_protein.pdb,posex_set/posex_cross_docking_set/7RGZ_57I/7RGZ_57I_ligand_start_conf.sdf
8BK0_QRR,CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(CCCCN)c2n1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BK0_QRR/8BK0_QRR_protein.pdb,posex_set/posex_cross_docking_set/8BK0_QRR/8BK0_QRR_ligand_start_conf.sdf
8IXS_VCQ,O=C(O)[C@@](O)(c1ccccc1)C1CCCC1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8IXS_VCQ/8IXS_VCQ_protein.pdb,posex_set/posex_cross_docking_set/8IXS_VCQ/8IXS_VCQ_ligand_start_conf.sdf
7FCX_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_OCA/7FCX_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FCX_OCA/7FCX_OCA_ligand_start_conf.sdf
7BCD_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCD_AXV/7BCD_AXV_protein.pdb,posex_set/posex_cross_docking_set/7BCD_AXV/7BCD_AXV_ligand_start_conf.sdf
7FU3_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YMI/7FU3_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YMI/7FU3_YMI_ligand_start_conf.sdf
8PZ4_CIT,O=C(O)CC(O)(CC(=O)O)C(=O)O,MGSSHHHHHHSSGLVPRGSHMANSGEAPKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQSDTDDGNNSRNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGEAFRGELSNLQAATLFGSWQLREDYDASLVYHKFWRVDDDSDIGTSGINAALQPGEKDIGQELDLVVTKYFKQGLLPASMSQYVDEPSALIRFRGGLFKPGDAYGPGTDSTMHRAFVDFIWRF,posex_set/posex_cross_docking_set/8PZ4_CIT/8PZ4_CIT_protein.pdb,posex_set/posex_cross_docking_set/8PZ4_CIT/8PZ4_CIT_ligand_start_conf.sdf
5SAW_1IJ,Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAW_1IJ/5SAW_1IJ_protein.pdb,posex_set/posex_cross_docking_set/5SAW_1IJ/5SAW_1IJ_ligand_start_conf.sdf
8PQD_9KI,COC(=O)N[C@@](C)(c1ccc(F)cc1)c1cnc(N2CCN(c3ncnn4cc(-c5cnn(C)c5)cc34)CC2)nc1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQD_9KI/8PQD_9KI_protein.pdb,posex_set/posex_cross_docking_set/8PQD_9KI/8PQD_9KI_ligand_start_conf.sdf
7LDY_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LDY_K20/7LDY_K20_protein.pdb,posex_set/posex_cross_docking_set/7LDY_K20/7LDY_K20_ligand_start_conf.sdf
7AN5_ISJ,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,MVDNSRTRPRVGHIQFLNCLPLYWGLARTGTLLDFELTKDTPEKLSEQLVRGDLDIGPVTLVEFLKNADDLVAFPDIAVGCDGPVMSCVIVSQVPLDRLDGARVALGSTSRTSVRLAQLLLSERFGVQPDYYTCPPDLSLMMQEADAAVLIGDAALRANMIDGPRYGLDVHDLGALWKEWTGLPFVFAVWAARRDYAEREPVITRKVHEAFLASRNLSLEEVEKVAEQAARWEAFDEDTLAKYFTTLDFRFGAPQLEAVTEFARRVGPTTGFPADVKVELLKPLEHHHHHH,posex_set/posex_cross_docking_set/7AN5_ISJ/7AN5_ISJ_protein.pdb,posex_set/posex_cross_docking_set/7AN5_ISJ/7AN5_ISJ_ligand_start_conf.sdf
8B9E_AD5,c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1,VFHKIRNEDLIFNESLGQGTFTKIFKGVRREVGDYGQLHETEVLLKVLDKAHRNYSESFFEAASMMSKLSHKHLVLNYGVCFCGDENILVQEFVKFGSLDTYLKKNKNCINILWKLEVAKQLAWAMHFLEENTLIHGNVCAKNILLIREEDRKTGNPPFIKLSDPGISITVLPKDILQERIPWVPPECIENPKNLNLATDKWSFGTTLWEICSGGDKPLSALDSQRKLQFYEDRHQLPAPKAAELANLINNCMDYEPDHRPSFRAIIRDLNSLFTPDLVPRGSHHHHHH,posex_set/posex_cross_docking_set/8B9E_AD5/8B9E_AD5_protein.pdb,posex_set/posex_cross_docking_set/8B9E_AD5/8B9E_AD5_ligand_start_conf.sdf
5SB1_1IM,O=C(Cc1cccc(C#Cc2cccnc2)c1)Nc1cccc(C(F)(F)F)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB1_1IM/5SB1_1IM_protein.pdb,posex_set/posex_cross_docking_set/5SB1_1IM/5SB1_1IM_ligand_start_conf.sdf
8GF1_ZMB,COC(=O)[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF1_ZMB/8GF1_ZMB_protein.pdb,posex_set/posex_cross_docking_set/8GF1_ZMB/8GF1_ZMB_ligand_start_conf.sdf
7YY5_PNS,CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YY5_PNS/7YY5_PNS_protein.pdb,posex_set/posex_cross_docking_set/7YY5_PNS/7YY5_PNS_ligand_start_conf.sdf
8PQF_9JI,Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,GSMPMYEVQWKVVEESNGNNYSYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAQGLIKSDAAMTVAVKMLKPSAHSTEREALMSELKVLSYLGNHENIVNLLGACTHGGPTLVITEYCCYGDLLNFLRRKRDEFVPYKVAPEDLYKDFLTLEHLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGNITKICDFGLARDIKNDSNYVDKGNARLPVKWMAPESIFNSVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMSSPEYAPAEMYDIMKTCWDADPDKRPTFKQIVQDIEKQISESTNH,posex_set/posex_cross_docking_set/8PQF_9JI/8PQF_9JI_protein.pdb,posex_set/posex_cross_docking_set/8PQF_9JI/8PQF_9JI_ligand_start_conf.sdf
9F96_A1IAU,Nc1c(O)cc(-c2cccc(O)c2)cc1C(=O)O,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F96_A1IAU/9F96_A1IAU_protein.pdb,posex_set/posex_cross_docking_set/9F96_A1IAU/9F96_A1IAU_ligand_start_conf.sdf
7BCH_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_T9Z/7BCH_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7BCH_T9Z/7BCH_T9Z_ligand_start_conf.sdf
7GZY_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZY_A1AK7/7GZY_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7GZY_A1AK7/7GZY_A1AK7_ligand_start_conf.sdf
7V13_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V13_ORU/7V13_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V13_ORU/7V13_ORU_ligand_start_conf.sdf
7B8K_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_UR4/7B8K_UR4_protein.pdb,posex_set/posex_cross_docking_set/7B8K_UR4/7B8K_UR4_ligand_start_conf.sdf
7USH_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_7UM/7USH_7UM_protein.pdb,posex_set/posex_cross_docking_set/7USH_7UM/7USH_7UM_ligand_start_conf.sdf
7V16_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_OQ6/7V16_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V16_OQ6/7V16_OQ6_ligand_start_conf.sdf
8BOC_R0O,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_R0O/8BOC_R0O_protein.pdb,posex_set/posex_cross_docking_set/8BOC_R0O/8BOC_R0O_ligand_start_conf.sdf
5SKP_IYW,O=c1ccn(Cc2ccccc2)nc1-c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_IYW/5SKP_IYW_protein.pdb,posex_set/posex_cross_docking_set/5SKP_IYW/5SKP_IYW_ligand_start_conf.sdf
7B9D_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_UR4/7B9D_UR4_protein.pdb,posex_set/posex_cross_docking_set/7B9D_UR4/7B9D_UR4_ligand_start_conf.sdf
7SLZ_L6U,CNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](NC(=O)CNCc1ccc(OC)cc1OC)c1cccs1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7SLZ_L6U/7SLZ_L6U_protein.pdb,posex_set/posex_cross_docking_set/7SLZ_L6U/7SLZ_L6U_ligand_start_conf.sdf
8I6A_ODF,O=c1[nH]cc(O)c(=O)[nH]1,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I6A_ODF/8I6A_ODF_protein.pdb,posex_set/posex_cross_docking_set/8I6A_ODF/8I6A_ODF_ligand_start_conf.sdf
5SJV_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_IK0/5SJV_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SJV_IK0/5SJV_IK0_ligand_start_conf.sdf
7GC0_L5I,Cc1ccncc1NC(=O)[C@H](C)CC1CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC0_L5I/7GC0_L5I_protein.pdb,posex_set/posex_cross_docking_set/7GC0_L5I/7GC0_L5I_ligand_start_conf.sdf
7UU0_LDR,O=c1[nH]c2ccccc2c2ccccc12,MHHHHHHSSGVDLGTENLYFQSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7UU0_LDR/7UU0_LDR_protein.pdb,posex_set/posex_cross_docking_set/7UU0_LDR/7UU0_LDR_ligand_start_conf.sdf
7V17_OT7,Cn1nccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_OT7/7V17_OT7_protein.pdb,posex_set/posex_cross_docking_set/7V17_OT7/7V17_OT7_ligand_start_conf.sdf
7HGA_EJQ,O=C(CN1CCCC1)Nc1ccc(F)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_EJQ/7HGA_EJQ_protein.pdb,posex_set/posex_cross_docking_set/7HGA_EJQ/7HGA_EJQ_ligand_start_conf.sdf
7GC1_L5I,Cc1ccncc1NC(=O)[C@H](C)CC1CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GC1_L5I/7GC1_L5I_protein.pdb,posex_set/posex_cross_docking_set/7GC1_L5I/7GC1_L5I_ligand_start_conf.sdf
8XGV_SIU,Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)[C@@H](C)C(=O)O)cc1,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8XGV_SIU/8XGV_SIU_protein.pdb,posex_set/posex_cross_docking_set/8XGV_SIU/8XGV_SIU_ligand_start_conf.sdf
8RDS_7SE,O=C1CC[C@H](n2nc3ccccc3n2)C(=O)N1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDS_7SE/8RDS_7SE_protein.pdb,posex_set/posex_cross_docking_set/8RDS_7SE/8RDS_7SE_ligand_start_conf.sdf
8V74_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YHE/8V74_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V74_YHE/8V74_YHE_ligand_start_conf.sdf
7V15_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V15_OTL/7V15_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V15_OTL/7V15_OTL_ligand_start_conf.sdf
7Q7K_9I8,COc1cc(-c2ccc(O)cc2)cc2cnc(Nc3cnn(C)c3)nc12,MHHHHHHDYKDDDDKENLYFQGRDPTQFEERHLKFLQQLGKGNFGSVEMCRYDPLQDNTGEVVAVKKLQHSTEEHLRDFEREIEILKSLQHDNIVKYKGVCYSAGRRNLKLIMEYLPYGSLRDYLQKHKERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQSIVTHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDNMAG,posex_set/posex_cross_docking_set/7Q7K_9I8/7Q7K_9I8_protein.pdb,posex_set/posex_cross_docking_set/7Q7K_9I8/7Q7K_9I8_ligand_start_conf.sdf
8TRP_MES,O=S(=O)([O-])CC[NH+]1CCOCC1,MKHLLKAGALVALACIVTLTAGAQAHAAKRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDRVTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAIDDGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRTTDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHTEVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSITSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELIKLVQETQQ,posex_set/posex_cross_docking_set/8TRP_MES/8TRP_MES_protein.pdb,posex_set/posex_cross_docking_set/8TRP_MES/8TRP_MES_ligand_start_conf.sdf
9F94_A1IAW,CCOc1cccc(C(=O)O)c1N,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F94_A1IAW/9F94_A1IAW_protein.pdb,posex_set/posex_cross_docking_set/9F94_A1IAW/9F94_A1IAW_ligand_start_conf.sdf
7FCX_2AN,O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FCX_2AN/7FCX_2AN_protein.pdb,posex_set/posex_cross_docking_set/7FCX_2AN/7FCX_2AN_ligand_start_conf.sdf
7FEZ_J3R,CN(CCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEZ_J3R/7FEZ_J3R_protein.pdb,posex_set/posex_cross_docking_set/7FEZ_J3R/7FEZ_J3R_ligand_start_conf.sdf
5SB2_1IJ,Nc1ncc(Oc2cccc(CCNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB2_1IJ/5SB2_1IJ_protein.pdb,posex_set/posex_cross_docking_set/5SB2_1IJ/5SB2_1IJ_ligand_start_conf.sdf
7HG0_A1A34,COCC(=O)NCc1ccc(C)cc1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_A1A34/7HG0_A1A34_protein.pdb,posex_set/posex_cross_docking_set/7HG0_A1A34/7HG0_A1A34_ligand_start_conf.sdf
5SGV_IK0,CNC(=O)c1cc(CCc2nc(N3CCCC3)nn2C)nn2c(C)c(C)nc12,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_IK0/5SGV_IK0_protein.pdb,posex_set/posex_cross_docking_set/5SGV_IK0/5SGV_IK0_ligand_start_conf.sdf
7FVW_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_IZ7/7FVW_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FVW_IZ7/7FVW_IZ7_ligand_start_conf.sdf
7B8K_T3N,CC(=O)Nc1ccc(OCC(=O)O)cc1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B8K_T3N/7B8K_T3N_protein.pdb,posex_set/posex_cross_docking_set/7B8K_T3N/7B8K_T3N_ligand_start_conf.sdf
8BOM_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOM_QJI/8BOM_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BOM_QJI/8BOM_QJI_ligand_start_conf.sdf
7FVW_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_KL3/7FVW_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FVW_KL3/7FVW_KL3_ligand_start_conf.sdf
9BU1_TVL,C[C@@H]1CCCN1CCOc1ccc([C@@H]2c3ccc(O)cc3CC3(CC3)N2C(=O)c2ccccc2)cc1,HHHHHHENLYFQSMLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLESAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKSVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKSKNVVPLSDLLLEMLDAHRLHAPTS,posex_set/posex_cross_docking_set/9BU1_TVL/9BU1_TVL_protein.pdb,posex_set/posex_cross_docking_set/9BU1_TVL/9BU1_TVL_ligand_start_conf.sdf
7FU9_YUF,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3-c2ccccc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YUF/7FU9_YUF_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YUF/7FU9_YUF_ligand_start_conf.sdf
7GLF_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLF_SQ5/7GLF_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7GLF_SQ5/7GLF_SQ5_ligand_start_conf.sdf
7FU3_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU3_YMO/7FU3_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FU3_YMO/7FU3_YMO_ligand_start_conf.sdf
7V17_OQ6,COC(=O)Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V17_OQ6/7V17_OQ6_protein.pdb,posex_set/posex_cross_docking_set/7V17_OQ6/7V17_OQ6_ligand_start_conf.sdf
7U3J_L6O,C[C@@H]1CN=C(Nc2ccc(F)cc2)S1,GSGSKFRGHQKSKGNSYDVEVVLQHVDTGNSYLCGYLKIKGLTEEYPTLTTFFEGEIISKKHPFLTRKWDADEDVDRKHWGKFLAFYQYAKSFNSDDFDYEELKNGDYVFMRWKEQFLVPDHTIKDISGASFAGFYYICFQKSAASIEGYYYHRSSEWYQSLNLTHV,posex_set/posex_cross_docking_set/7U3J_L6O/7U3J_L6O_protein.pdb,posex_set/posex_cross_docking_set/7U3J_L6O/7U3J_L6O_ligand_start_conf.sdf
7GBY_LDX,Cc1ccncc1NC(=O)CCc1ccccc1F,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GBY_LDX/7GBY_LDX_protein.pdb,posex_set/posex_cross_docking_set/7GBY_LDX/7GBY_LDX_ligand_start_conf.sdf
7V14_OQO,Cc1nc(N)ccc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V14_OQO/7V14_OQO_protein.pdb,posex_set/posex_cross_docking_set/7V14_OQO/7V14_OQO_ligand_start_conf.sdf
9FQH_WUI,C[C@H](c1cnn(C)c1)n1cc(C(F)(F)F)cc(-c2cccc([C@]3(c4nncn4C)C[C@@H](C)C3)c2)c1=O,HMPKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD,posex_set/posex_cross_docking_set/9FQH_WUI/9FQH_WUI_protein.pdb,posex_set/posex_cross_docking_set/9FQH_WUI/9FQH_WUI_ligand_start_conf.sdf
8BOC_QT1,Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_QT1/8BOC_QT1_protein.pdb,posex_set/posex_cross_docking_set/8BOC_QT1/8BOC_QT1_ligand_start_conf.sdf
7H00_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1AK3/7H00_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1AK3/7H00_A1AK3_ligand_start_conf.sdf
5SI1_JSM,CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SI1_JSM/5SI1_JSM_protein.pdb,posex_set/posex_cross_docking_set/5SI1_JSM/5SI1_JSM_ligand_start_conf.sdf
7HG0_UWS,Cc1cc(Cn2nc(C)ccc2=O)on1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HG0_UWS/7HG0_UWS_protein.pdb,posex_set/posex_cross_docking_set/7HG0_UWS/7HG0_UWS_ligand_start_conf.sdf
8V6Z_YHW,c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YHW/8V6Z_YHW_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YHW/8V6Z_YHW_ligand_start_conf.sdf
7B9D_T9Z,Oc1c(C[NH+]2CCOCC2)ccc2ccccc12,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7B9D_T9Z/7B9D_T9Z_protein.pdb,posex_set/posex_cross_docking_set/7B9D_T9Z/7B9D_T9Z_ligand_start_conf.sdf
7FVY_KL3,O=C(O)[C@H]1CCCc2ccc(-c3ccc(Cl)cc3)cc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_KL3/7FVY_KL3_protein.pdb,posex_set/posex_cross_docking_set/7FVY_KL3/7FVY_KL3_ligand_start_conf.sdf
8V6W_YHN,Cc1cc(C)cc(-c2onc3ccc(C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6W_YHN/8V6W_YHN_protein.pdb,posex_set/posex_cross_docking_set/8V6W_YHN/8V6W_YHN_ligand_start_conf.sdf
7NEO_SQ5,O=C1N[C@@H](CC2CCCCC2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7NEO_SQ5/7NEO_SQ5_protein.pdb,posex_set/posex_cross_docking_set/7NEO_SQ5/7NEO_SQ5_ligand_start_conf.sdf
7H01_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H01_A1AK7/7H01_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7H01_A1AK7/7H01_A1AK7_ligand_start_conf.sdf
7FEU_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FEU_OCA/7FEU_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FEU_OCA/7FEU_OCA_ligand_start_conf.sdf
8XGV_L5F,Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,LHKPTQVMPCRAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/8XGV_L5F/8XGV_L5F_protein.pdb,posex_set/posex_cross_docking_set/8XGV_L5F/8XGV_L5F_ligand_start_conf.sdf
7GZW_A1AK5,CNCc1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)co1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1AK5/7GZW_A1AK5_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1AK5/7GZW_A1AK5_ligand_start_conf.sdf
5SI1_JQL,C[C@@H]1CCCN1C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SI1_JQL/5SI1_JQL_protein.pdb,posex_set/posex_cross_docking_set/5SI1_JQL/5SI1_JQL_ligand_start_conf.sdf
7HGB_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_ZQD/7HGB_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HGB_ZQD/7HGB_ZQD_ligand_start_conf.sdf
8OV7_5IE,O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c(F)c2)CC1,GDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARVMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/8OV7_5IE/8OV7_5IE_protein.pdb,posex_set/posex_cross_docking_set/8OV7_5IE/8OV7_5IE_ligand_start_conf.sdf
7T1H_E66,CN(C)c1cc(CN2CCOCC2)nc2nc(NCc3ccc(C(C)(C)C)cc3)nn12,MAHHHHHHMPRITQEISYNCDYGDNTFNLAIDIGGTLAKVVFSPIHSNRLMFYTIETEKIDKFMELLHSIIKEHNNGCYRMTHIIATGGGAFKFYDLLYENFPQIKGISRFEEMEGLIHGLDFFIHEIPDEVFTYNDQDGERIIPTSSGTMDSKAIYPYLLVNIGSGVSILKVTEPNNFSRVGGSSLGGGTLWGLLSLITGAQTYDQMLDWAQEGDNSSVDMLVGDIYGTDYNKIGLKSSAIASSFGKVFQNRMTSNKSLENNENKLYSSHESIEKNNGQMFKNPDICKSLLFAISNNIGQIAYLQAKINNIQNIYFGGSYTRGHLTTMNTLSYAINFWSQGSKQAFFLKHEGYLGAMGAFLSASRHSSTKKTST,posex_set/posex_cross_docking_set/7T1H_E66/7T1H_E66_protein.pdb,posex_set/posex_cross_docking_set/7T1H_E66/7T1H_E66_ligand_start_conf.sdf
5SKP_IZ6,O=C1CCN(c2ccccc2)N=C1c1ccnn1-c1ccccc1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SKP_IZ6/5SKP_IZ6_protein.pdb,posex_set/posex_cross_docking_set/5SKP_IZ6/5SKP_IZ6_ligand_start_conf.sdf
8YLE_ADP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,NEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHA,posex_set/posex_cross_docking_set/8YLE_ADP/8YLE_ADP_protein.pdb,posex_set/posex_cross_docking_set/8YLE_ADP/8YLE_ADP_ligand_start_conf.sdf
8PST_N9F,CC(=O)NCc1ccc2[nH]ncc2c1,GSASMAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS,posex_set/posex_cross_docking_set/8PST_N9F/8PST_N9F_protein.pdb,posex_set/posex_cross_docking_set/8PST_N9F/8PST_N9F_ligand_start_conf.sdf
7FVW_K7C,COCC1(c2nc(C3CCCC3)c(C)c(-c3ccc(F)cc3)c2-c2nnn[nH]2)CCCC1,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVW_K7C/7FVW_K7C_protein.pdb,posex_set/posex_cross_docking_set/7FVW_K7C/7FVW_K7C_ligand_start_conf.sdf
7FUO_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUO_YME/7FUO_YME_protein.pdb,posex_set/posex_cross_docking_set/7FUO_YME/7FUO_YME_ligand_start_conf.sdf
5SJV_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_KI8/5SJV_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SJV_KI8/5SJV_KI8_ligand_start_conf.sdf
8V73_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V73_YIB/8V73_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V73_YIB/8V73_YIB_ligand_start_conf.sdf
7USH_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_QJ1/7USH_QJ1_protein.pdb,posex_set/posex_cross_docking_set/7USH_QJ1/7USH_QJ1_ligand_start_conf.sdf
8RDT_A1HZ6,COc1ccccc1C1=NO[C@@]2(CCC(=O)NC2=O)C1,AMPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8RDT_A1HZ6/8RDT_A1HZ6_protein.pdb,posex_set/posex_cross_docking_set/8RDT_A1HZ6/8RDT_A1HZ6_ligand_start_conf.sdf
8QDI_6D6,NCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS|MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES,posex_set/posex_cross_docking_set/8QDI_6D6/8QDI_6D6_protein.pdb,posex_set/posex_cross_docking_set/8QDI_6D6/8QDI_6D6_ligand_start_conf.sdf
9F95_A1IAW,CCOc1cccc(C(=O)O)c1N,MGSSHHHHHHSSGLVPRGSHMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMFAKAEGRAEQLTRVEVSGNGVTFGRGTIVL,posex_set/posex_cross_docking_set/9F95_A1IAW/9F95_A1IAW_protein.pdb,posex_set/posex_cross_docking_set/9F95_A1IAW/9F95_A1IAW_ligand_start_conf.sdf
7YYB_PNS,CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,SMTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDERIEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQMAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQRLLGKLRGQAQ,posex_set/posex_cross_docking_set/7YYB_PNS/7YYB_PNS_protein.pdb,posex_set/posex_cross_docking_set/7YYB_PNS/7YYB_PNS_ligand_start_conf.sdf
8GFF_UL6,CC(=O)N[C@H]1[C@H](OC[C@@H]2COCCO2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GFF_UL6/8GFF_UL6_protein.pdb,posex_set/posex_cross_docking_set/8GFF_UL6/8GFF_UL6_ligand_start_conf.sdf
7VL1_NOJ,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPWDWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYENQGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMPIISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRYKTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKYISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDIIFGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKAYAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAASNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQLLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCDLKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLNRCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAFTQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELFVSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSELKKKKSEEISIAPFSYKVIKENK,posex_set/posex_cross_docking_set/7VL1_NOJ/7VL1_NOJ_protein.pdb,posex_set/posex_cross_docking_set/7VL1_NOJ/7VL1_NOJ_ligand_start_conf.sdf
7H00_A1AK7,CNC(=O)Cn1cc(-c2cc3c(N[C@H](c4ccc5c(c4)S(=O)(=O)CCC5)C(C)C)ncnc3[nH]2)cn1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H00_A1AK7/7H00_A1AK7_protein.pdb,posex_set/posex_cross_docking_set/7H00_A1AK7/7H00_A1AK7_ligand_start_conf.sdf
7FVY_IUT,Cn1c(-c2ccccc2)c([C@H]2CC[C@@H](C(=O)O)CC2)c2ccccc21,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVY_IUT/7FVY_IUT_protein.pdb,posex_set/posex_cross_docking_set/7FVY_IUT/7FVY_IUT_ligand_start_conf.sdf
8QQY_QUF,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QUF/8QQY_QUF_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QUF/8QQY_QUF_ligand_start_conf.sdf
7HGA_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_X0S/7HGA_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HGA_X0S/7HGA_X0S_ligand_start_conf.sdf
7FU9_YQ3,Cc1ccc(-c2cc(C(=O)O)c3c(c2)ncn3Cc2ccncc2)c(Cl)c1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU9_YQ3/7FU9_YQ3_protein.pdb,posex_set/posex_cross_docking_set/7FU9_YQ3/7FU9_YQ3_ligand_start_conf.sdf
7NGY_UAZ,COc1ccc(NC(=O)N2CCC(C)CC2)cc1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_UAZ/7NGY_UAZ_protein.pdb,posex_set/posex_cross_docking_set/7NGY_UAZ/7NGY_UAZ_ligand_start_conf.sdf
7S4T_8FI,O=C(O)c1cc(C(F)(F)F)ccc1NCCc1[nH]nc2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7S4T_8FI/7S4T_8FI_protein.pdb,posex_set/posex_cross_docking_set/7S4T_8FI/7S4T_8FI_ligand_start_conf.sdf
7GLA_U9H,O=C1N[C@]2(C[C@H](C3CCC3)C2)C(=O)N1c1cncc(F)c1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GLA_U9H/7GLA_U9H_protein.pdb,posex_set/posex_cross_docking_set/7GLA_U9H/7GLA_U9H_ligand_start_conf.sdf
8BZI_VY0,O=C1NCCCCCNc2nc(c3ccccc3n2)Nc2cc1[nH]n2,MRAQLWGLALNKRRATLPHPGGSTNLKADPEELFTKLEKIGKGSFGEVFKGIDNRTQKVVAIKIIDLEEAEDEIEDIQQEITVLSQCDSPYVTKYYGSYLKDTKLWIIMEYLGGGSALDLLEPGPLDETQIATILREILKGLDYLHSEKKIHRDIKAANVLLSEHGEVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIKQSAYDSKADIWSLGITAIELARGEPPHSELHPMKVLFLIPKNNPPTLEGNYSKPLKEFVEACLNKEPSFRPTAKELLKHKFILRNAKKTSYLTELIDAHHHHHH,posex_set/posex_cross_docking_set/8BZI_VY0/8BZI_VY0_protein.pdb,posex_set/posex_cross_docking_set/8BZI_VY0/8BZI_VY0_ligand_start_conf.sdf
8U2T_WTA,CCO[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MAHHHHHHMSDNPHSLHPLSSDSTSQALHSSTKPPATPHEGEFHSVRDSNVVEPTEANGKKSHVGPHLGSRMRIYEYSIEHNDAFWAEIARRDFYWKTTWPDDQHVKSYNFDKSKGPIFVKWFEGAVTNVCYNALDRHLPAHKDRVCFYFEGNDPSVTEAVTYGSMYTRVVELANVLKYQYGIAKGDRVGLYLPMIPFAAVAMLACARIGAVITVIFGGFSAQALSSRLKDAQTKLLITADASARGTKPIPLKDVADEALKECEEEGMSIACLVAENMNRQSCKMKEGRDTWYGDALARLTPEQHEECPVEWMDAEDVLFLLYTSGSTGKPKAIVHTTAGYMVYASTTFMYSFDYHMDDVYFCTADIGWITGHSYVVYGPMIHCATSVLFEGVPNYPDYSRWWQLVEKYKVSILYTAPTAIRSLMQAGDDYVKVGNRSTLRVLGSVGEPINVEAWKWLRDVGGEGHCDVSDTWWQTETGGHMITPMPGCTPMKPGSATLPFFGVQPVILDPMKLHEKQGPAEGLLAIRAPWPGMARTIYGDHARFEKTYFGVDGYYMTGDGARRDSDGYYWITGRVDDVLNVSGHRIGTSEIEDAVNTHPAVVESAVVGFPHNIKGEGIYVFLTFRQGTEVTPELLAAVKATVRKVIGPLATPDVMQVARVGLPKTRSGKIVRRILRKVSAGQYTELGDTSTLANPDVVEDLIAEHQRLCSQN,posex_set/posex_cross_docking_set/8U2T_WTA/8U2T_WTA_protein.pdb,posex_set/posex_cross_docking_set/8U2T_WTA/8U2T_WTA_ligand_start_conf.sdf
7V3R_W3W,C[C@@H](c1cccc(-c2cnc[nH]2)c1)n1cc(-c2cc(F)cc(F)c2)c(=O)[nH]c1=O,MGSSHHHHHHGDSDISSPLLQNTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAARNCMLDEKFTVKVADFGLARDMYDKEYYSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIG,posex_set/posex_cross_docking_set/7V3R_W3W/7V3R_W3W_protein.pdb,posex_set/posex_cross_docking_set/7V3R_W3W/7V3R_W3W_ligand_start_conf.sdf
8V71_YIB,FC(F)(F)Oc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V71_YIB/8V71_YIB_protein.pdb,posex_set/posex_cross_docking_set/8V71_YIB/8V71_YIB_ligand_start_conf.sdf
7FVX_IZ7,COc1c(C)c(C)c2onc(C)c2c1C/C=C(\C)CCC(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVX_IZ7/7FVX_IZ7_protein.pdb,posex_set/posex_cross_docking_set/7FVX_IZ7/7FVX_IZ7_ligand_start_conf.sdf
7GAW_R8X,COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GAW_R8X/7GAW_R8X_protein.pdb,posex_set/posex_cross_docking_set/7GAW_R8X/7GAW_R8X_ligand_start_conf.sdf
8BM8_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BM8_QJI/8BM8_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BM8_QJI/8BM8_QJI_ligand_start_conf.sdf
7GZW_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZW_A1ALS/7GZW_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7GZW_A1ALS/7GZW_A1ALS_ligand_start_conf.sdf
7V11_OTL,Cn1cncc1-c1cnn([C@H](CC2CC2)c2ccc(-c3c(-n4cnnn4)ccc(Cl)c3F)c[n+]2[O-])c1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V11_OTL/7V11_OTL_protein.pdb,posex_set/posex_cross_docking_set/7V11_OTL/7V11_OTL_ligand_start_conf.sdf
8BOI_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOI_WT3/8BOI_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BOI_WT3/8BOI_WT3_ligand_start_conf.sdf
7GZX_A1ALS,CC(C)[C@H](Nc1ncnc2[nH]ccc12)C1=[SH]CCC1,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1ALS/7GZX_A1ALS_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1ALS/7GZX_A1ALS_ligand_start_conf.sdf
7FU4_YME,O=C(O)c1cc(-c2ccccc2O)nc2c(Cl)cccc12,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU4_YME/7FU4_YME_protein.pdb,posex_set/posex_cross_docking_set/7FU4_YME/7FU4_YME_ligand_start_conf.sdf
7USH_8M6,CC(=O)N1CCc2c(sc3nc(SCC(=O)Nc4cccnc4C)n(Cc4ccco4)c(=O)c23)C1,GPMEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7USH_8M6/7USH_8M6_protein.pdb,posex_set/posex_cross_docking_set/7USH_8M6/7USH_8M6_ligand_start_conf.sdf
7FDT_X90,CCCCCCCCCCCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDT_X90/7FDT_X90_protein.pdb,posex_set/posex_cross_docking_set/7FDT_X90/7FDT_X90_ligand_start_conf.sdf
5SGV_KI8,COc1ccccc1N1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SGV_KI8/5SGV_KI8_protein.pdb,posex_set/posex_cross_docking_set/5SGV_KI8/5SGV_KI8_ligand_start_conf.sdf
8U96_ANP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]1O,MAHHHHHHMTYTVALTGGIGSGKSTVADEFAHLGVTVIDADIIARQVVEPGTPALLAIAERFGPQMINDDGSLNRRRLRERIFAHSEDKAWLNALLHPLIQQETRRQMQASTSPYLLWVVPLLVENRLTDKADRILVVDVPKETQIERTIRRDGVSREHAEHILAAQATREQRLAAADDVIENMGSADAVASHVARLHDKYLMLASQAASQEKP,posex_set/posex_cross_docking_set/8U96_ANP/8U96_ANP_protein.pdb,posex_set/posex_cross_docking_set/8U96_ANP/8U96_ANP_ligand_start_conf.sdf
7HGB_X0S,CNS(=O)(=O)c1ccccc1Cl,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGB_X0S/7HGB_X0S_protein.pdb,posex_set/posex_cross_docking_set/7HGB_X0S/7HGB_X0S_ligand_start_conf.sdf
8GF1_ZHR,CC(=O)N[C@H]1[C@H](OCCc2ccc3occc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O,MGSSHHHHHHSSGLVPRGSHMQYSIEKLKKEENSLAKDYYIYRLLEKNKISKKDAQDLNSHIFRYIGKIKSELEKIIPLKPYINPKYAKCYTYTANTILDANLTCQSVRLNSLVFIASLNSKDRTTLAQTFKNQRPDLTNLLLAFNTSDPMSYIVQKEDINGFFKLYNYSKKYDLDLNTSLVNKLPNHIGFKDFAQNIIIKKENPKFRHSMLEINPENVSEDSAFYLGVNALTYDKTELAYDFFKKAAQSFKSQSNKDNAIFWMWLIKNNEEDLKTLSQSSSLNIYSLYAKELTNTPFPKIESLNPSKKKNNFNMQDPFAWQKINKQIRDANASQLDVLAKEFDTQETLPIYAYILERKNNFKKHYFIMPYYDNIKDYNKTRQALILAIARQESRFIPTAISVSYALGMMQFMPFLANHIGEKELKIPNFDQDFMFKPEIAYYFGNYHLNYLESRLKSPLFVAYAYNGGIGFTNRMLARNDMFKTGKFEPFLSMELVPYQESRIYGKKVLANYIVYRHLLNDSIKISDIFENLIQNKANDLNKS,posex_set/posex_cross_docking_set/8GF1_ZHR/8GF1_ZHR_protein.pdb,posex_set/posex_cross_docking_set/8GF1_ZHR/8GF1_ZHR_ligand_start_conf.sdf
7OF8_L5F,Cc1ccc2cc1[C@@H](C)N1Cc3cc(ccc3OS1(=O)=O)OCCOCCn1nnc3c(C)c(ccc31)[C@H]2CC(=O)O,GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC,posex_set/posex_cross_docking_set/7OF8_L5F/7OF8_L5F_protein.pdb,posex_set/posex_cross_docking_set/7OF8_L5F/7OF8_L5F_ligand_start_conf.sdf
9GR7_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,GSHMASENLYFQGMHIRNPYRTPIDYQALSEAFPPLKPFVSVNADGTSSVDLTIPEAQRAFTAALLHRDFGLTMTIPEDRLCPTVPNRLNYVLWIEDIFNYTNKTLGLSDDRPIKGVDIGTGASAIYPMLACARFKAWSMVGTEVERKCIDTARLNVVANNLQDRLSILETSIDGPILVPIFEATEEYEYEFTMCNPPFYDGAADMQTSDAAKGFGFGVGAPHSGTVIEMSTEGGESAFVAQMVRESLKLRTRCRWYTSNLGKLKSLKEIVGLLKELEISNYAINEYVQGSTRRYAVAWSFTDIQLPEELSRPSNPELSSLF,posex_set/posex_cross_docking_set/9GR7_SAH/9GR7_SAH_protein.pdb,posex_set/posex_cross_docking_set/9GR7_SAH/9GR7_SAH_ligand_start_conf.sdf
8B5G_QJ1,COC(=O)N1CCS[C@H](c2cccs2)CC1,GSMGKLSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/8B5G_QJ1/8B5G_QJ1_protein.pdb,posex_set/posex_cross_docking_set/8B5G_QJ1/8B5G_QJ1_ligand_start_conf.sdf
8AOP_A1HZ6,COc1ccccc1C1=NO[C@@]2(CCC(=O)NC2=O)C1,MPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8AOP_A1HZ6/8AOP_A1HZ6_protein.pdb,posex_set/posex_cross_docking_set/8AOP_A1HZ6/8AOP_A1HZ6_ligand_start_conf.sdf
7R7K_AWJ,Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2N2NC=CN2)c1,MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEKV,posex_set/posex_cross_docking_set/7R7K_AWJ/7R7K_AWJ_protein.pdb,posex_set/posex_cross_docking_set/7R7K_AWJ/7R7K_AWJ_ligand_start_conf.sdf
8V74_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V74_YHS/8V74_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V74_YHS/8V74_YHS_ligand_start_conf.sdf
7FUQ_YMO,CCCc1cc(=O)n2nc(NCc3ccc(-c4ccccc4)cc3F)nc2[nH]1,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUQ_YMO/7FUQ_YMO_protein.pdb,posex_set/posex_cross_docking_set/7FUQ_YMO/7FUQ_YMO_ligand_start_conf.sdf
7RXO_8FI,O=C(O)c1cc(C(F)(F)F)ccc1NCCc1[nH]nc2ccccc12,MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL,posex_set/posex_cross_docking_set/7RXO_8FI/7RXO_8FI_protein.pdb,posex_set/posex_cross_docking_set/7RXO_8FI/7RXO_8FI_ligand_start_conf.sdf
8I61_5CU,O=C(O)c1c[nH]c(=O)[nH]c1=O,MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP,posex_set/posex_cross_docking_set/8I61_5CU/8I61_5CU_protein.pdb,posex_set/posex_cross_docking_set/8I61_5CU/8I61_5CU_ligand_start_conf.sdf
7GCJ_L5I,Cc1ccncc1NC(=O)[C@H](C)CC1CC1,SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ,posex_set/posex_cross_docking_set/7GCJ_L5I/7GCJ_L5I_protein.pdb,posex_set/posex_cross_docking_set/7GCJ_L5I/7GCJ_L5I_ligand_start_conf.sdf
8OHT_SJ5,O=C(O)[C@H]1CNC[C@@H](O)[C@@H]1O,MAFARGGLAQTASQTTSSPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLRTLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVITPEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLAFQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDTAYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLGETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEFA,posex_set/posex_cross_docking_set/8OHT_SJ5/8OHT_SJ5_protein.pdb,posex_set/posex_cross_docking_set/8OHT_SJ5/8OHT_SJ5_ligand_start_conf.sdf
7T1G_E5B,CC(C)(C)c1ccc(CNc2nc3[nH]c(CN4CCOCC4)cc(=O)n3n2)cc1,MAHHHHHHMPRITQEISYNCDYGDNTFNLAIDIGGTLAKVVFSPIHSNRLMFYTIETEKIDKFMELLHSIIKEHNNGCYRMTHIIATGGGAFKFYDLLYENFPQIKGISRFEEMEGLIHGLDFFIHEIPDEVFTYNDQDGERIIPTSSGTMDSKAIYPYLLVNIGSGVSILKVTEPNNFSRVGGSSLGGGTLWGLLSLITGAQTYDQMLDWAQEGDNSSVDMLVGDIYGTDYNKIGLKSSAIASSFGKVFQNRMTSNKSLENNENKLYSSHESIEKNNGQMFKNPDICKSLLFAISNNIGQIAYLQAKINNIQNIYFGGSYTRGHLTTMNTLSYAINFWSQGSKQAFFLKHEGYLGAMGAFLSASRHSSTKKTST,posex_set/posex_cross_docking_set/7T1G_E5B/7T1G_E5B_protein.pdb,posex_set/posex_cross_docking_set/7T1G_E5B/7T1G_E5B_ligand_start_conf.sdf
8GEM_Z5H,Cc1ccc(C2(c3noc(CN(C)Cc4cccs4)n3)CCCC2)cc1,MPVDFTGYWKMLVNENFEEYLRALDVNVALRKIANLLKPDKEIVQDGDHMIIRTLSTFRNYIMDFQVGKEFEEDLTGIDDRKCMTTVSWDGDKLQCVQKGEKEGRGWTQWIEGDELHLEMRVEGVVCKQVFKKVQHHHHHH,posex_set/posex_cross_docking_set/8GEM_Z5H/8GEM_Z5H_protein.pdb,posex_set/posex_cross_docking_set/8GEM_Z5H/8GEM_Z5H_ligand_start_conf.sdf
7NGW_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGW_U9W/7NGW_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGW_U9W/7NGW_U9W_ligand_start_conf.sdf
7S90_ZUY,C#CCCCn1c(Sc2c(C)cc(C)cc2C)nc2c(N)ncnc21,HMPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE,posex_set/posex_cross_docking_set/7S90_ZUY/7S90_ZUY_protein.pdb,posex_set/posex_cross_docking_set/7S90_ZUY/7S90_ZUY_ligand_start_conf.sdf
8E81_UUF,CC(C)(O)[C@]12CN(c3cc(-n4ncc5ccc(-c6ccn[nH]6)cc54)ncn3)[C@H](C1)C2,MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH,posex_set/posex_cross_docking_set/8E81_UUF/8E81_UUF_protein.pdb,posex_set/posex_cross_docking_set/8E81_UUF/8E81_UUF_ligand_start_conf.sdf
8BOD_WT3,COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOD_WT3/8BOD_WT3_protein.pdb,posex_set/posex_cross_docking_set/8BOD_WT3/8BOD_WT3_ligand_start_conf.sdf
5SAU_1IM,O=C(Cc1cccc(C#Cc2cccnc2)c1)Nc1cccc(C(F)(F)F)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAU_1IM/5SAU_1IM_protein.pdb,posex_set/posex_cross_docking_set/5SAU_1IM/5SAU_1IM_ligand_start_conf.sdf
7H0Q_A1AMD,CC(C)[C@H](Nc1ncnc2[nH]c(-c3cnn(C)c3C#N)cc12)c1ccc2c(n1)OCCO2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7H0Q_A1AMD/7H0Q_A1AMD_protein.pdb,posex_set/posex_cross_docking_set/7H0Q_A1AMD/7H0Q_A1AMD_ligand_start_conf.sdf
7FVZ_KWX,O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O,GSHMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA,posex_set/posex_cross_docking_set/7FVZ_KWX/7FVZ_KWX_protein.pdb,posex_set/posex_cross_docking_set/7FVZ_KWX/7FVZ_KWX_ligand_start_conf.sdf
7HGA_ZQD,Cc1cc([C@@H]2CCCN2S(C)(=O)=O)no1,GMPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKSKDKYGKPNKRKGFNEGLWEIQNNPHASYS,posex_set/posex_cross_docking_set/7HGA_ZQD/7HGA_ZQD_protein.pdb,posex_set/posex_cross_docking_set/7HGA_ZQD/7HGA_ZQD_ligand_start_conf.sdf
5SHO_JQL,C[C@@H]1CCCN1C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SHO_JQL/5SHO_JQL_protein.pdb,posex_set/posex_cross_docking_set/5SHO_JQL/5SHO_JQL_ligand_start_conf.sdf
8AOP_A1HZ2,COc1ccc(C2=NO[C@@]3(CCC(=O)NC3=O)C2)c(OC)c1OC,MPLDAGGQNSTQMVLAPGASIFRCRQCGQTISRRDWLLPMGGDHEHVVFNPAGMIFRVWCFSLAQGLRLIGAPSGEFSWFKGYDWTIALCGQCGSHLGWHYEGGSQPQTFFGLIKDRLAEGPAD,posex_set/posex_cross_docking_set/8AOP_A1HZ2/8AOP_A1HZ2_protein.pdb,posex_set/posex_cross_docking_set/8AOP_A1HZ2/8AOP_A1HZ2_ligand_start_conf.sdf
7BCH_UR4,COCC(=O)Nc1nc(-c2ccccc2)cs1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_UR4/7BCH_UR4_protein.pdb,posex_set/posex_cross_docking_set/7BCH_UR4/7BCH_UR4_ligand_start_conf.sdf
5SAW_1IF,Nc1ccc(C#Cc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cn1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SAW_1IF/5SAW_1IF_protein.pdb,posex_set/posex_cross_docking_set/5SAW_1IF/5SAW_1IF_ligand_start_conf.sdf
7BCH_AXV,N#CNc1nc2ccccc2[nH]1,ETGSAQQLNEDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRALHCWDRSLHDSHKASKTPLKGCPVHLVDSCPWPHCNPSCPTGTKHHHHHH,posex_set/posex_cross_docking_set/7BCH_AXV/7BCH_AXV_protein.pdb,posex_set/posex_cross_docking_set/7BCH_AXV/7BCH_AXV_ligand_start_conf.sdf
5SJV_WP3,CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3cccc(F)c3)nc2n1,GSSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED,posex_set/posex_cross_docking_set/5SJV_WP3/5SJV_WP3_protein.pdb,posex_set/posex_cross_docking_set/5SJV_WP3/5SJV_WP3_ligand_start_conf.sdf
7GZX_A1AK3,CC(C)[C@H](Nc1ncnc2[nH]c(C(=O)N[C@H]3CCN(C)C3)cc12)c1ccc2c(c1)S(=O)(=O)CCC2,GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE,posex_set/posex_cross_docking_set/7GZX_A1AK3/7GZX_A1AK3_protein.pdb,posex_set/posex_cross_docking_set/7GZX_A1AK3/7GZX_A1AK3_ligand_start_conf.sdf
5SB2_1JI,O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc(Cl)c(COc2cnc3[nH]ccc3c2)c1,PGAVGDGPPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNTVHHHHHH,posex_set/posex_cross_docking_set/5SB2_1JI/5SB2_1JI_protein.pdb,posex_set/posex_cross_docking_set/5SB2_1JI/5SB2_1JI_ligand_start_conf.sdf
7LE0_K20,CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc2c(c1)OCO2,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_K20/7LE0_K20_protein.pdb,posex_set/posex_cross_docking_set/7LE0_K20/7LE0_K20_ligand_start_conf.sdf
7FU0_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FU0_YMI/7FU0_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FU0_YMI/7FU0_YMI_ligand_start_conf.sdf
8BOC_QJI,O=C(Nc1ccccc1Cl)c1cnc2ccc(C3CCNCC3)cn12,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8BOC_QJI/8BOC_QJI_protein.pdb,posex_set/posex_cross_docking_set/8BOC_QJI/8BOC_QJI_ligand_start_conf.sdf
7RGZ_59O,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RGZ_59O/7RGZ_59O_protein.pdb,posex_set/posex_cross_docking_set/7RGZ_59O/7RGZ_59O_ligand_start_conf.sdf
7V0Z_OR0,Nc1ccc(-c2cnn([C@H](CC3CC3)c3ccc(-c4c(-n5cnnn5)ccc(Cl)c4F)c[n+]3[O-])c2)c(F)n1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V0Z_OR0/7V0Z_OR0_protein.pdb,posex_set/posex_cross_docking_set/7V0Z_OR0/7V0Z_OR0_ligand_start_conf.sdf
7VRQ_7UM,CCCn1cnc2c1c(=O)[nH]c(=O)n2C,GSHMQDPEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYEYNPPDHDVVAMARKLQDVFEFRYAKMPD,posex_set/posex_cross_docking_set/7VRQ_7UM/7VRQ_7UM_protein.pdb,posex_set/posex_cross_docking_set/7VRQ_7UM/7VRQ_7UM_ligand_start_conf.sdf
7RH0_5A4,CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(F)cc1[N+](=O)[O-],MLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI,posex_set/posex_cross_docking_set/7RH0_5A4/7RH0_5A4_protein.pdb,posex_set/posex_cross_docking_set/7RH0_5A4/7RH0_5A4_ligand_start_conf.sdf
7NGJ_U9W,CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGJ_U9W/7NGJ_U9W_protein.pdb,posex_set/posex_cross_docking_set/7NGJ_U9W/7NGJ_U9W_ligand_start_conf.sdf
7NGY_UAK,CC1CCN(C(=O)N[C@H](C)c2ccccc2)CC1,MTTSAASQASLPRGRRTARPSGDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGENR,posex_set/posex_cross_docking_set/7NGY_UAK/7NGY_UAK_protein.pdb,posex_set/posex_cross_docking_set/7NGY_UAK/7NGY_UAK_ligand_start_conf.sdf
7HOC_WKY,CC(=O)Nc1ccncc1C,SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ,posex_set/posex_cross_docking_set/7HOC_WKY/7HOC_WKY_protein.pdb,posex_set/posex_cross_docking_set/7HOC_WKY/7HOC_WKY_ligand_start_conf.sdf
8R5K_A1H70,C=C[C@@H]1[C@H]2CCC[C@@H](C(=O)N3[C@H](C(=O)O)CC[C@@H]13)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1,GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE,posex_set/posex_cross_docking_set/8R5K_A1H70/8R5K_A1H70_protein.pdb,posex_set/posex_cross_docking_set/8R5K_A1H70/8R5K_A1H70_ligand_start_conf.sdf
8V6Y_YI8,FC(F)(F)c1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Y_YI8/8V6Y_YI8_protein.pdb,posex_set/posex_cross_docking_set/8V6Y_YI8/8V6Y_YI8_ligand_start_conf.sdf
8J5E_CTN,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,STSDRLKAVEQNLYDVGPRDSGGREGPGHYIAISGNTAAGKTTLIETLAGSLRAAGADAVGVSERVFHHRYLKLMFSASADFAFPIQLSFMLERHLLLLDNLVRRGRTMVMERSHLDDAMFVREHVASGAITAAQQRAYTEVSGELNARIPNPDLIVLMNPEPELSLERLARAEAEGSRPREFPSDAAKRAWVHRWYDLYQELHDDYRRRAVDGDLRGTELLELDAAASPEEKIATVTARARSLVVG,posex_set/posex_cross_docking_set/8J5E_CTN/8J5E_CTN_protein.pdb,posex_set/posex_cross_docking_set/8J5E_CTN/8J5E_CTN_ligand_start_conf.sdf
7V16_ORU,[O-][n+]1cc(-c2c(-n3cnnn3)ccc(Cl)c2F)ccc1[C@@H](CC1CC1)n1cc(-c2cncs2)cn1,IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV,posex_set/posex_cross_docking_set/7V16_ORU/7V16_ORU_protein.pdb,posex_set/posex_cross_docking_set/7V16_ORU/7V16_ORU_ligand_start_conf.sdf
8QQY_QU6,COc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1,GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG,posex_set/posex_cross_docking_set/8QQY_QU6/8QQY_QU6_protein.pdb,posex_set/posex_cross_docking_set/8QQY_QU6/8QQY_QU6_ligand_start_conf.sdf
7FDU_OCA,CCCCCCCC(=O)O,MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA,posex_set/posex_cross_docking_set/7FDU_OCA/7FDU_OCA_protein.pdb,posex_set/posex_cross_docking_set/7FDU_OCA/7FDU_OCA_ligand_start_conf.sdf
7V1B_SAM,C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,MTLGDLWKRRLNNCTKEEFFAYRRTGILETERDKARELLRKGETNMGLAVSRGTAKLAWLEERGYVNLKGEVVDLGCGRGGWSYYAASRPAVMGVKAYTIGGKGHEAPKMVTSLGWNLIKFRAGMDVFTMQPHRADTVMCDIGESSPDAAIEGERTRKVILLMEQWKNRNPSASCVFKVLAPYRPEVIEALHRFQLQWGGGLVRTPFSRNSTHEMYYSTAISGNIVNSVNVQSRKLLARFGDQRGPIRVPEMDLGVGTRHHHHHH,posex_set/posex_cross_docking_set/7V1B_SAM/7V1B_SAM_protein.pdb,posex_set/posex_cross_docking_set/7V1B_SAM/7V1B_SAM_ligand_start_conf.sdf
7LE0_DJR,COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)cc1,PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF,posex_set/posex_cross_docking_set/7LE0_DJR/7LE0_DJR_protein.pdb,posex_set/posex_cross_docking_set/7LE0_DJR/7LE0_DJR_ligand_start_conf.sdf
7FUB_YMI,Cn1nc(-c2ccc(F)cc2)cc1C(=O)O,GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF,posex_set/posex_cross_docking_set/7FUB_YMI/7FUB_YMI_protein.pdb,posex_set/posex_cross_docking_set/7FUB_YMI/7FUB_YMI_ligand_start_conf.sdf
8QDJ_SAH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,GRMLGEMWKAQLNQLTRQEFMEYRRDGIIEVDRSAARKARREGNVTGGHPVSRGTAKLRWMVERGFVKPHGKVIDLGCGRGGWSYYCATLKLVQEVKGYTKGGPGHEEPVMMQSYGWNLVSLKSGVDVFYRPSEQSDTLLCDIGEASPVPEIEEARTVKVLQMVEEWLSRGVEDFCVKILCPYMPKVLKELEKMQLRWGGGLIRVPLSRNSNHEMYWVSGASGNITNSVNTVSQMLINRMNRTNRNGPKYEEDVHLGSGTR,posex_set/posex_cross_docking_set/8QDJ_SAH/8QDJ_SAH_protein.pdb,posex_set/posex_cross_docking_set/8QDJ_SAH/8QDJ_SAH_ligand_start_conf.sdf
8V72_YHS,Cc1cc(C)cc(-c2onc3ccc(-c4nnn[nH]4)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V72_YHS/8V72_YHS_protein.pdb,posex_set/posex_cross_docking_set/8V72_YHS/8V72_YHS_ligand_start_conf.sdf
8V6Z_YHE,Cc1cc(C)cc(-c2onc3ccc(/C=C/C(=O)O)cc23)c1,GSFTSHQVAGHMYGKDKVGILQHPDGTVLKQLQPPPRGPRELEFYNMVYAADCFDGVLLELRKYLPKYYGIWSPPTAPNDLYLKLEDVTHKFNKPCIMDVKIGQKSYDPFASSEKIQQQVSKYPLMEEIGFLVLGMRVYHVHSDSYETENQHYGRSLTKETIKDGVSRFFHNGYCLRKDAVAASIQKIEKILQWFENQKQLNFYASSLLFVYEGSSQGGSGGEVEVRMIDFAHVFPSNTIDEGYVYGLKHLISVLRSILDN,posex_set/posex_cross_docking_set/8V6Z_YHE/8V6Z_YHE_protein.pdb,posex_set/posex_cross_docking_set/8V6Z_YHE/8V6Z_YHE_ligand_start_conf.sdf