smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000874786 551554230 /nfs/dbraw/zinc/55/42/30/551554230.db2.gz OQAMUVJQLWSWRV-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000875548 551554612 /nfs/dbraw/zinc/55/46/12/551554612.db2.gz LWSCKYSEMBKJLM-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000878905 551555201 /nfs/dbraw/zinc/55/52/01/551555201.db2.gz CPGKEDRBGCIFHP-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(OCC)ccc3[nH]c2=O)cc1 ZINC000000879405 551555543 /nfs/dbraw/zinc/55/55/43/551555543.db2.gz HIWFOGURXYRMOO-UHFFFAOYSA-N 1 1 524.687 4.247 40 0 KIABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000879698 551555487 /nfs/dbraw/zinc/55/54/87/551555487.db2.gz DZRCDWFLEHTLRM-UHFFFAOYSA-N 1 1 501.052 4.111 40 0 KIABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000880027 551555801 /nfs/dbraw/zinc/55/58/01/551555801.db2.gz RJWOLVIFTYCFRP-UHFFFAOYSA-N 1 1 501.052 4.111 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000000885031 551557094 /nfs/dbraw/zinc/55/70/94/551557094.db2.gz BTAJNTIOMSVJMC-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccccc3CC)cc2c1 ZINC000000894998 551563717 /nfs/dbraw/zinc/56/37/17/551563717.db2.gz FEBSJYCUFJXHPE-UHFFFAOYSA-N 1 1 508.688 4.411 40 0 KIABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1OC ZINC000000895495 551563728 /nfs/dbraw/zinc/56/37/28/551563728.db2.gz MRIBDOFATFGIRG-UHFFFAOYSA-N 1 1 531.078 4.120 40 0 KIABMO COc1cc2cc(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)c(=O)[nH]c2cc1OC ZINC000000895521 551563710 /nfs/dbraw/zinc/56/37/10/551563710.db2.gz QTLMOGWSVQIQSE-UHFFFAOYSA-N 1 1 524.687 4.083 40 0 KIABMO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895548 551563916 /nfs/dbraw/zinc/56/39/16/551563916.db2.gz CBNTZPGRHKMMHY-UHFFFAOYSA-N 1 1 524.687 4.029 40 0 KIABMO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)cc3OC)cc2c1 ZINC000000920144 551573957 /nfs/dbraw/zinc/57/39/57/551573957.db2.gz MSJKHTUANRKXGT-UHFFFAOYSA-N 1 1 524.687 4.029 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3cc(CC)ccc3[nH]c2=O)cc1 ZINC000000924132 551577941 /nfs/dbraw/zinc/57/79/41/551577941.db2.gz NMUNLWUSGGIBEZ-UHFFFAOYSA-N 1 1 508.688 4.411 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(OC)cc3)C3CCCCC3)cc2c1 ZINC000000928095 551580671 /nfs/dbraw/zinc/58/06/71/551580671.db2.gz QSHWYVBICGIHDQ-UHFFFAOYSA-N 1 1 502.619 4.305 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(OC)cc3)C3CCCCC3)cc2c1 ZINC000000928095 551580669 /nfs/dbraw/zinc/58/06/69/551580669.db2.gz QSHWYVBICGIHDQ-UHFFFAOYSA-N 1 1 502.619 4.305 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000931912 551584655 /nfs/dbraw/zinc/58/46/55/551584655.db2.gz ONYBDUALELJDKQ-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO COc1cc2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001373695 551652264 /nfs/dbraw/zinc/65/22/64/551652264.db2.gz WDQNYURWKGHLRP-UHFFFAOYSA-N 1 1 506.582 4.054 40 0 KIABMO COc1cc2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001373695 551652263 /nfs/dbraw/zinc/65/22/63/551652263.db2.gz WDQNYURWKGHLRP-UHFFFAOYSA-N 1 1 506.582 4.054 40 0 KIABMO COc1cc2cc(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001373715 551652487 /nfs/dbraw/zinc/65/24/87/551652487.db2.gz QSYKPZHACAVSMW-UHFFFAOYSA-N 1 1 502.619 4.109 40 0 KIABMO COc1cc2cc(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1OC ZINC000001373715 551652485 /nfs/dbraw/zinc/65/24/85/551652485.db2.gz QSYKPZHACAVSMW-UHFFFAOYSA-N 1 1 502.619 4.109 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374844 551655274 /nfs/dbraw/zinc/65/52/74/551655274.db2.gz SSBWDULRHDGIHK-DEOSSOPVSA-N 1 1 518.593 4.369 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374844 551655270 /nfs/dbraw/zinc/65/52/70/551655270.db2.gz SSBWDULRHDGIHK-DEOSSOPVSA-N 1 1 518.593 4.369 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374845 551655252 /nfs/dbraw/zinc/65/52/52/551655252.db2.gz SSBWDULRHDGIHK-XMMPIXPASA-N 1 1 518.593 4.369 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000001374845 551655250 /nfs/dbraw/zinc/65/52/50/551655250.db2.gz SSBWDULRHDGIHK-XMMPIXPASA-N 1 1 518.593 4.369 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374880 551655331 /nfs/dbraw/zinc/65/53/31/551655331.db2.gz HBTIHHSIPZOKRO-QHCPKHFHSA-N 1 1 504.591 4.213 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374881 551655405 /nfs/dbraw/zinc/65/54/05/551655405.db2.gz HBTIHHSIPZOKRO-HSZRJFAPSA-N 1 1 504.591 4.213 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374980 551655931 /nfs/dbraw/zinc/65/59/31/551655931.db2.gz GSDRLNUWICNDSM-QHCPKHFHSA-N 1 1 506.607 4.459 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374981 551656021 /nfs/dbraw/zinc/65/60/21/551656021.db2.gz GSDRLNUWICNDSM-HSZRJFAPSA-N 1 1 506.607 4.459 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374984 551655937 /nfs/dbraw/zinc/65/59/37/551655937.db2.gz WJPHQCMMVWZIMA-VWLOTQADSA-N 1 1 528.613 4.369 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374984 551655936 /nfs/dbraw/zinc/65/59/36/551655936.db2.gz WJPHQCMMVWZIMA-VWLOTQADSA-N 1 1 528.613 4.369 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374985 551656018 /nfs/dbraw/zinc/65/60/18/551656018.db2.gz WJPHQCMMVWZIMA-RUZDIDTESA-N 1 1 528.613 4.369 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374985 551656016 /nfs/dbraw/zinc/65/60/16/551656016.db2.gz WJPHQCMMVWZIMA-RUZDIDTESA-N 1 1 528.613 4.369 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375959 551657786 /nfs/dbraw/zinc/65/77/86/551657786.db2.gz STROXUZFFHLETA-HHHXNRCGSA-N 1 1 552.635 4.496 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375959 551657784 /nfs/dbraw/zinc/65/77/84/551657784.db2.gz STROXUZFFHLETA-HHHXNRCGSA-N 1 1 552.635 4.496 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375960 551657882 /nfs/dbraw/zinc/65/78/82/551657882.db2.gz STROXUZFFHLETA-MHZLTWQESA-N 1 1 552.635 4.496 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375960 551657880 /nfs/dbraw/zinc/65/78/80/551657880.db2.gz STROXUZFFHLETA-MHZLTWQESA-N 1 1 552.635 4.496 40 0 KIABMO Cc1cc(C)c2cc([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000001382341 551659979 /nfs/dbraw/zinc/65/99/79/551659979.db2.gz SMLIUPMWCRMZEN-PMERELPUSA-N 1 1 533.680 4.281 40 0 KIABMO Cc1cc(C)c2cc([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000001382343 551660011 /nfs/dbraw/zinc/66/00/11/551660011.db2.gz SMLIUPMWCRMZEN-SSEXGKCCSA-N 1 1 533.680 4.281 40 0 KIABMO COc1cc2c(cc1OC)[C@@H]1C[N@H+](C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001493454 551683046 /nfs/dbraw/zinc/68/30/46/551683046.db2.gz FVZJIAUYFDQQKJ-DQEYMECFSA-N 1 1 505.640 4.452 40 0 in-man KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830660 552419125 /nfs/dbraw/zinc/41/91/25/552419125.db2.gz CVBMAZKKCSYWQR-DBGNHGFCSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830660 552419124 /nfs/dbraw/zinc/41/91/24/552419124.db2.gz CVBMAZKKCSYWQR-DBGNHGFCSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830661 552419152 /nfs/dbraw/zinc/41/91/52/552419152.db2.gz CVBMAZKKCSYWQR-GWPFRJGASA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830661 552419150 /nfs/dbraw/zinc/41/91/50/552419150.db2.gz CVBMAZKKCSYWQR-GWPFRJGASA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830662 552419140 /nfs/dbraw/zinc/41/91/40/552419140.db2.gz CVBMAZKKCSYWQR-JCHAKPRGSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830662 552419137 /nfs/dbraw/zinc/41/91/37/552419137.db2.gz CVBMAZKKCSYWQR-JCHAKPRGSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830663 552419185 /nfs/dbraw/zinc/41/91/85/552419185.db2.gz CVBMAZKKCSYWQR-KTKVNLAJSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000003830663 552419184 /nfs/dbraw/zinc/41/91/84/552419184.db2.gz CVBMAZKKCSYWQR-KTKVNLAJSA-N 1 1 578.662 4.163 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831415 552419630 /nfs/dbraw/zinc/41/96/30/552419630.db2.gz QEVHRUUCFGRFIF-IBXHDFJSSA-N 1 1 608.688 4.171 40 0 biogenic,in-vitro KIABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831415 552419628 /nfs/dbraw/zinc/41/96/28/552419628.db2.gz QEVHRUUCFGRFIF-IBXHDFJSSA-N 1 1 608.688 4.171 40 0 biogenic,in-vitro KIABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831416 552419696 /nfs/dbraw/zinc/41/96/96/552419696.db2.gz QEVHRUUCFGRFIF-CNBSJGBVSA-N 1 1 608.688 4.171 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831416 552419693 /nfs/dbraw/zinc/41/96/93/552419693.db2.gz QEVHRUUCFGRFIF-CNBSJGBVSA-N 1 1 608.688 4.171 40 0 KIABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5ccc(Cl)cc5)ccc43)C2)c2ccccc21 ZINC000003841460 552420044 /nfs/dbraw/zinc/42/00/44/552420044.db2.gz GYRXAGJBNMWTHC-RBUKOAKNSA-N 1 1 523.058 4.414 40 0 biogenic,in-vitro KIABMO Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@@H+](C)CC1 ZINC000003961873 552423915 /nfs/dbraw/zinc/42/39/15/552423915.db2.gz KSNHHKZYKYNBEI-NDEPHWFRSA-N 1 1 600.793 4.271 40 0 in-vitro KIABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004214262 552449830 /nfs/dbraw/zinc/44/98/30/552449830.db2.gz MMUMZMIKZXSFSD-ADSVITMPSA-N 1 1 590.673 4.259 40 0 in-man KIABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004214262 552449827 /nfs/dbraw/zinc/44/98/27/552449827.db2.gz MMUMZMIKZXSFSD-ADSVITMPSA-N 1 1 590.673 4.259 40 0 in-man KIABMO C[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H]1CC[C@@]2(C)Cc3sc(CS(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000004221966 291847542 /nfs/dbraw/zinc/84/75/42/291847542.db2.gz OGLAVOFFKBNCME-VPIACMIQSA-N 1 1 580.216 4.234 40 0 biogenic,in-vitro KIABMO C[C@H](C(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@]2(C)Cc3sc(CS(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000004221967 552450670 /nfs/dbraw/zinc/45/06/70/552450670.db2.gz OGLAVOFFKBNCME-OLPDNLJQSA-N 1 1 580.216 4.234 40 0 biogenic,in-vitro KIABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c2c(c(OC)c3c1CC[N@@H+](C)[C@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000004416629 552459578 /nfs/dbraw/zinc/45/95/78/552459578.db2.gz LCYJXMQFUYGVER-DSITVLBTSA-N 1 1 605.596 4.159 40 0 KIABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c2c(c(OC)c3c1CC[N@H+](C)[C@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000004416629 552459576 /nfs/dbraw/zinc/45/95/76/552459576.db2.gz LCYJXMQFUYGVER-DSITVLBTSA-N 1 1 605.596 4.159 40 0 KIABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c2c(c(OC)c3c1CC[N@@H+](C)[C@@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000004416630 552459561 /nfs/dbraw/zinc/45/95/61/552459561.db2.gz LCYJXMQFUYGVER-SDHOMARFSA-N 1 1 605.596 4.159 40 0 KIABMO COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c2c(c(OC)c3c1CC[N@H+](C)[C@@H]3[C@H]1OC(=O)c3c1ccc(OC)c3OC)OCO2 ZINC000004416630 552459560 /nfs/dbraw/zinc/45/95/60/552459560.db2.gz LCYJXMQFUYGVER-SDHOMARFSA-N 1 1 605.596 4.159 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000004748333 552475182 /nfs/dbraw/zinc/47/51/82/552475182.db2.gz PYYLUPQQQNZLDO-YNRJDEEXSA-N 1 1 636.742 4.490 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000004748333 552475180 /nfs/dbraw/zinc/47/51/80/552475180.db2.gz PYYLUPQQQNZLDO-YNRJDEEXSA-N 1 1 636.742 4.490 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000004748335 552475164 /nfs/dbraw/zinc/47/51/64/552475164.db2.gz PYYLUPQQQNZLDO-FYXLUDDMSA-N 1 1 636.742 4.490 40 0 KIABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000004748335 552475163 /nfs/dbraw/zinc/47/51/63/552475163.db2.gz PYYLUPQQQNZLDO-FYXLUDDMSA-N 1 1 636.742 4.490 40 0 KIABMO COc1cc(C(=O)O[C@H]2C[C@@H]3C[N@H+](CCc4c[nH]c5ccccc45)C[C@@H]3C[C@@H]2OC)cc(OC)c1OC ZINC000004802402 552486955 /nfs/dbraw/zinc/48/69/55/552486955.db2.gz SKALSVNLUNQULB-JQOLTRQRSA-N 1 1 508.615 4.319 40 0 KIABMO COc1cc(C(=O)O[C@@H]2C[C@H]3C[N@H+](CCc4c[nH]c5ccccc45)C[C@@H]3C[C@@H]2OC)cc(OC)c1OC ZINC000004802404 552486993 /nfs/dbraw/zinc/48/69/93/552486993.db2.gz SKALSVNLUNQULB-WIHVIGOGSA-N 1 1 508.615 4.319 40 0 KIABMO COc1cc(C(=O)O[C@H]2C[C@H]3C[N@H+](CCc4c[nH]c5ccccc45)C[C@@H]3C[C@@H]2OC)cc(OC)c1OC ZINC000004802405 552486931 /nfs/dbraw/zinc/48/69/31/552486931.db2.gz SKALSVNLUNQULB-NBMBROAQSA-N 1 1 508.615 4.319 40 0 KIABMO Cc1ccc(CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006013457 552518728 /nfs/dbraw/zinc/51/87/28/552518728.db2.gz AMBMHWXNCZYKNK-UHFFFAOYSA-N 1 1 556.526 4.293 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616332 553102490 /nfs/dbraw/zinc/10/24/90/553102490.db2.gz ZVEDNTDMBITYSH-XQFKFEQSSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616332 553102487 /nfs/dbraw/zinc/10/24/87/553102487.db2.gz ZVEDNTDMBITYSH-XQFKFEQSSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616333 553102423 /nfs/dbraw/zinc/10/24/23/553102423.db2.gz ZVEDNTDMBITYSH-ZTJRFHFMSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616333 553102422 /nfs/dbraw/zinc/10/24/22/553102422.db2.gz ZVEDNTDMBITYSH-ZTJRFHFMSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616450 553102508 /nfs/dbraw/zinc/10/25/08/553102508.db2.gz ZVEDNTDMBITYSH-ZLYSXWIESA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616450 553102506 /nfs/dbraw/zinc/10/25/06/553102506.db2.gz ZVEDNTDMBITYSH-ZLYSXWIESA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616451 553102469 /nfs/dbraw/zinc/10/24/69/553102469.db2.gz ZVEDNTDMBITYSH-KIVBGJRGSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cccc(N(C)C)c2)[C@H]1OC ZINC000008616451 553102468 /nfs/dbraw/zinc/10/24/68/553102468.db2.gz ZVEDNTDMBITYSH-KIVBGJRGSA-N 1 1 561.679 4.211 40 0 KIABMO COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(N(C)C)cc3)nn2C)c1 ZINC000008635359 553105017 /nfs/dbraw/zinc/10/50/17/553105017.db2.gz NYLMGPCWICZNRH-AMDXRBSFSA-N 1 1 532.714 4.104 40 0 biogenic,in-vitro KIABMO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(OC)c(OC)c3)nn2C)cc1 ZINC000008635919 560210566 /nfs/dbraw/zinc/21/05/66/560210566.db2.gz IRBVKYZHXKQVBS-ZEYPLWLESA-N 1 1 505.619 4.112 40 0 biogenic,in-vitro KIABMO COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)c1 ZINC000008636185 553105192 /nfs/dbraw/zinc/10/51/92/553105192.db2.gz QBAQRSAKQVTJRJ-NMNUPHIUSA-N 1 1 507.635 4.177 40 0 biogenic,in-vitro KIABMO CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000008767144 553139354 /nfs/dbraw/zinc/13/93/54/553139354.db2.gz OJNRFIYZFDHZDR-OWIVCOMISA-N 1 1 600.741 4.085 40 0 KIABMO CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000008767148 553139411 /nfs/dbraw/zinc/13/94/11/553139411.db2.gz OJNRFIYZFDHZDR-BQRJEURGSA-N 1 1 600.741 4.085 40 0 KIABMO Cc1c2c(cc(=O)n1CCC[NH+]1CCOCC1)n(Cc1ccc(Cl)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000008769207 553140609 /nfs/dbraw/zinc/14/06/09/553140609.db2.gz DUVGBISDMQVLQR-UHFFFAOYSA-N 1 1 550.084 4.296 40 0 KIABMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Br ZINC000008898176 553180213 /nfs/dbraw/zinc/18/02/13/553180213.db2.gz FGXSENRREQDSIJ-UHFFFAOYSA-N 1 1 511.873 4.380 40 0 KIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2Cl)CC1 ZINC000008898330 553180169 /nfs/dbraw/zinc/18/01/69/553180169.db2.gz UZKGJEOYFDOHGJ-UHFFFAOYSA-N 1 1 504.937 4.174 40 0 KIABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000009062825 553205219 /nfs/dbraw/zinc/20/52/19/553205219.db2.gz VRHNPDXTKZQBLQ-UHFFFAOYSA-N 1 1 509.628 4.355 40 0 KIABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000009063509 553205497 /nfs/dbraw/zinc/20/54/97/553205497.db2.gz QIEPCGYQXVEPRY-UHFFFAOYSA-N 1 1 527.618 4.494 40 0 KIABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)cc2)c(OC)c1 ZINC000009063518 553205464 /nfs/dbraw/zinc/20/54/64/553205464.db2.gz MTUDTBSUGNRTRG-UHFFFAOYSA-N 1 1 527.618 4.494 40 0 KIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000009694784 553299665 /nfs/dbraw/zinc/29/96/65/553299665.db2.gz HMYRNTNOKZTRPO-HSZRJFAPSA-N 1 1 504.672 4.023 40 0 KIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000009694785 553299644 /nfs/dbraw/zinc/29/96/44/553299644.db2.gz HMYRNTNOKZTRPO-QHCPKHFHSA-N 1 1 504.672 4.023 40 0 KIABMO [NH2+]=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1 ZINC000009969135 553322228 /nfs/dbraw/zinc/32/22/28/553322228.db2.gz IYTVCLSSTUEDKH-UHFFFAOYSA-N 1 1 511.571 4.289 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064119 553443963 /nfs/dbraw/zinc/44/39/63/553443963.db2.gz VMXGFQSJDMBMSX-AREMUKBSSA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064119 553443961 /nfs/dbraw/zinc/44/39/61/553443961.db2.gz VMXGFQSJDMBMSX-AREMUKBSSA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064120 553443980 /nfs/dbraw/zinc/44/39/80/553443980.db2.gz VMXGFQSJDMBMSX-SANMLTNESA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000013064120 553443978 /nfs/dbraw/zinc/44/39/78/553443978.db2.gz VMXGFQSJDMBMSX-SANMLTNESA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064301 553443944 /nfs/dbraw/zinc/44/39/44/553443944.db2.gz XVNXKNCVXAOKTL-AREMUKBSSA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064301 553443943 /nfs/dbraw/zinc/44/39/43/553443943.db2.gz XVNXKNCVXAOKTL-AREMUKBSSA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064302 553444027 /nfs/dbraw/zinc/44/40/27/553444027.db2.gz XVNXKNCVXAOKTL-SANMLTNESA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064302 553444025 /nfs/dbraw/zinc/44/40/25/553444025.db2.gz XVNXKNCVXAOKTL-SANMLTNESA-N 1 1 502.619 4.476 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064432 553443948 /nfs/dbraw/zinc/44/39/48/553443948.db2.gz CCRYWUNFYJUAAQ-RUZDIDTESA-N 1 1 530.629 4.239 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064432 553443947 /nfs/dbraw/zinc/44/39/47/553443947.db2.gz CCRYWUNFYJUAAQ-RUZDIDTESA-N 1 1 530.629 4.239 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064433 553443957 /nfs/dbraw/zinc/44/39/57/553443957.db2.gz CCRYWUNFYJUAAQ-VWLOTQADSA-N 1 1 530.629 4.239 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064433 553443956 /nfs/dbraw/zinc/44/39/56/553443956.db2.gz CCRYWUNFYJUAAQ-VWLOTQADSA-N 1 1 530.629 4.239 40 0 KIABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064468 553443953 /nfs/dbraw/zinc/44/39/53/553443953.db2.gz PSVGAYIFVQYRLQ-RUZDIDTESA-N 1 1 514.630 4.424 40 0 KIABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064468 553443951 /nfs/dbraw/zinc/44/39/51/553443951.db2.gz PSVGAYIFVQYRLQ-RUZDIDTESA-N 1 1 514.630 4.424 40 0 KIABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064469 553443969 /nfs/dbraw/zinc/44/39/69/553443969.db2.gz PSVGAYIFVQYRLQ-VWLOTQADSA-N 1 1 514.630 4.424 40 0 KIABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013064469 553443967 /nfs/dbraw/zinc/44/39/67/553443967.db2.gz PSVGAYIFVQYRLQ-VWLOTQADSA-N 1 1 514.630 4.424 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064506 553443905 /nfs/dbraw/zinc/44/39/05/553443905.db2.gz AIEJTSMEMFZNBH-RUZDIDTESA-N 1 1 532.645 4.485 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064506 553443904 /nfs/dbraw/zinc/44/39/04/553443904.db2.gz AIEJTSMEMFZNBH-RUZDIDTESA-N 1 1 532.645 4.485 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064507 553444062 /nfs/dbraw/zinc/44/40/62/553444062.db2.gz AIEJTSMEMFZNBH-VWLOTQADSA-N 1 1 532.645 4.485 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064507 553444060 /nfs/dbraw/zinc/44/40/60/553444060.db2.gz AIEJTSMEMFZNBH-VWLOTQADSA-N 1 1 532.645 4.485 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495860 553462955 /nfs/dbraw/zinc/46/29/55/553462955.db2.gz HAVGZIPXIMZCBF-BDYUSTAISA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495860 553462953 /nfs/dbraw/zinc/46/29/53/553462953.db2.gz HAVGZIPXIMZCBF-BDYUSTAISA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495861 553463056 /nfs/dbraw/zinc/46/30/56/553463056.db2.gz HAVGZIPXIMZCBF-AHKZPQOWSA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495861 553463053 /nfs/dbraw/zinc/46/30/53/553463053.db2.gz HAVGZIPXIMZCBF-AHKZPQOWSA-N 1 1 516.646 4.288 40 0 KIABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498922 553464954 /nfs/dbraw/zinc/46/49/54/553464954.db2.gz ZKFRUYYARADTIJ-HHHXNRCGSA-N 1 1 516.646 4.137 40 0 KIABMO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498922 553464953 /nfs/dbraw/zinc/46/49/53/553464953.db2.gz ZKFRUYYARADTIJ-HHHXNRCGSA-N 1 1 516.646 4.137 40 0 KIABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498923 553464948 /nfs/dbraw/zinc/46/49/48/553464948.db2.gz ZKFRUYYARADTIJ-MHZLTWQESA-N 1 1 516.646 4.137 40 0 KIABMO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498923 553464947 /nfs/dbraw/zinc/46/49/47/553464947.db2.gz ZKFRUYYARADTIJ-MHZLTWQESA-N 1 1 516.646 4.137 40 0 KIABMO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000013500688 553466103 /nfs/dbraw/zinc/46/61/03/553466103.db2.gz HFJAXWQTQKKJCO-HHHXNRCGSA-N 1 1 530.629 4.442 40 0 KIABMO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000013500689 553466114 /nfs/dbraw/zinc/46/61/14/553466114.db2.gz HFJAXWQTQKKJCO-MHZLTWQESA-N 1 1 530.629 4.442 40 0 KIABMO CC[C@H](c1nnnn1C1CCCCC1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501184 553466463 /nfs/dbraw/zinc/46/64/63/553466463.db2.gz VQHJBUOMWQPHGO-AREMUKBSSA-N 1 1 507.683 4.004 40 0 KIABMO CC[C@@H](c1nnnn1C1CCCCC1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501185 553466509 /nfs/dbraw/zinc/46/65/09/553466509.db2.gz VQHJBUOMWQPHGO-SANMLTNESA-N 1 1 507.683 4.004 40 0 KIABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1C ZINC000013522697 553468408 /nfs/dbraw/zinc/46/84/08/553468408.db2.gz JLBKLLSPOJNFIP-UHFFFAOYSA-N 1 1 500.665 4.053 40 0 KIABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1cccc(C)c1 ZINC000013522701 553468416 /nfs/dbraw/zinc/46/84/16/553468416.db2.gz YSCZBTAIVFVXEJ-UHFFFAOYSA-N 1 1 500.665 4.053 40 0 KIABMO CCOc1cc(NC(=S)NCCC[NH+]2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1 ZINC000013556545 553471071 /nfs/dbraw/zinc/47/10/71/553471071.db2.gz HAQGYKSEKAHDRK-UHFFFAOYSA-N 1 1 500.665 4.053 40 0 KIABMO CCOC(=O)C1=C(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013565846 553473494 /nfs/dbraw/zinc/47/34/94/553473494.db2.gz XCMGVMZZXNHNBO-JFLZEIQHSA-N 1 1 513.997 4.165 40 0 KIABMO CCOC(=O)C1=C(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013565846 553473491 /nfs/dbraw/zinc/47/34/91/553473491.db2.gz XCMGVMZZXNHNBO-JFLZEIQHSA-N 1 1 513.997 4.165 40 0 KIABMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000013581451 553475777 /nfs/dbraw/zinc/47/57/77/553475777.db2.gz QQUCIYWVJNGVIM-UHFFFAOYSA-N 1 1 521.683 4.273 40 0 KIABMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000013583103 553475771 /nfs/dbraw/zinc/47/57/71/553475771.db2.gz MIOQVFWDCQNTML-UHFFFAOYSA-N 1 1 503.668 4.327 40 0 KIABMO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000013585618 553476872 /nfs/dbraw/zinc/47/68/72/553476872.db2.gz MBCQUJQQNXCVPG-UHFFFAOYSA-N 1 1 528.074 4.197 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013633357 553478729 /nfs/dbraw/zinc/47/87/29/553478729.db2.gz RWCNANDUZHEQII-UHFFFAOYSA-N 1 1 521.683 4.030 40 0 KIABMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713637 553486326 /nfs/dbraw/zinc/48/63/26/553486326.db2.gz KEHCSNQYEYKITC-HHHXNRCGSA-N 1 1 505.684 4.473 40 0 KIABMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713639 553486342 /nfs/dbraw/zinc/48/63/42/553486342.db2.gz KEHCSNQYEYKITC-MHZLTWQESA-N 1 1 505.684 4.473 40 0 KIABMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715685 553486437 /nfs/dbraw/zinc/48/64/37/553486437.db2.gz KYNOKTGEWYHKLC-AREMUKBSSA-N 1 1 509.647 4.304 40 0 KIABMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715687 553486478 /nfs/dbraw/zinc/48/64/78/553486478.db2.gz KYNOKTGEWYHKLC-SANMLTNESA-N 1 1 509.647 4.304 40 0 KIABMO O=C(/C=C\c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000013719843 553486632 /nfs/dbraw/zinc/48/66/32/553486632.db2.gz RAURUSFBVQLAPW-KGEFDYHRSA-N 1 1 505.014 4.016 40 0 KIABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014135550 553502861 /nfs/dbraw/zinc/50/28/61/553502861.db2.gz DRPWNXUUEXIUKH-UHFFFAOYSA-N 1 1 504.867 4.002 40 0 KIABMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000014155282 553504981 /nfs/dbraw/zinc/50/49/81/553504981.db2.gz GGCKOIRODHDDKL-XMMPIXPASA-N 1 1 505.684 4.392 40 0 KIABMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1C ZINC000014155284 553505016 /nfs/dbraw/zinc/50/50/16/553505016.db2.gz GGCKOIRODHDDKL-DEOSSOPVSA-N 1 1 505.684 4.392 40 0 KIABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)CC1 ZINC000014274931 553507969 /nfs/dbraw/zinc/50/79/69/553507969.db2.gz PIWSKKZQASBAMY-UHFFFAOYSA-N 1 1 504.937 4.174 40 0 KIABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1OC ZINC000014277122 553509966 /nfs/dbraw/zinc/50/99/66/553509966.db2.gz KXIIFUWTGHQYOJ-UHFFFAOYSA-N 1 1 508.619 4.292 40 0 KIABMO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000014277157 553509937 /nfs/dbraw/zinc/50/99/37/553509937.db2.gz AFQTVZKCJDMQKO-UHFFFAOYSA-N 1 1 508.619 4.292 40 0 KIABMO COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000014277227 553510107 /nfs/dbraw/zinc/51/01/07/553510107.db2.gz JLNVHMXJWXXVLZ-UHFFFAOYSA-N 1 1 511.873 4.298 40 0 KIABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000014291838 553511985 /nfs/dbraw/zinc/51/19/85/553511985.db2.gz AUMNJJOROZVHQM-UHFFFAOYSA-N 1 1 533.694 4.417 40 0 KIABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000014400773 553515391 /nfs/dbraw/zinc/51/53/91/553515391.db2.gz IXAWADLERHPTIM-UHFFFAOYSA-N 1 1 509.647 4.306 40 0 KIABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000014414936 553517424 /nfs/dbraw/zinc/51/74/24/553517424.db2.gz MOVWRZNDOYIGFD-UHFFFAOYSA-N 1 1 512.503 4.274 40 0 KIABMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000015307472 553531555 /nfs/dbraw/zinc/53/15/55/553531555.db2.gz MTPUJNZZLHPBTA-GOSISDBHSA-N 1 1 517.392 4.412 40 0 KIABMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016187579 553556044 /nfs/dbraw/zinc/55/60/44/553556044.db2.gz GTMGFBOOHPUPHB-UHFFFAOYSA-N 1 1 513.663 4.394 40 0 KIABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000016227622 553557476 /nfs/dbraw/zinc/55/74/76/553557476.db2.gz ZPIAHTLNSGESJZ-UHFFFAOYSA-N 1 1 519.667 4.027 40 0 KIABMO Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000016267397 553557900 /nfs/dbraw/zinc/55/79/00/553557900.db2.gz BNQREUOBQAAVRC-UHFFFAOYSA-N 1 1 505.684 4.166 40 0 KIABMO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016477754 553565790 /nfs/dbraw/zinc/56/57/90/553565790.db2.gz DNIDGVFQJWWGLH-UHFFFAOYSA-N 1 1 533.694 4.174 40 0 KIABMO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016477758 553565786 /nfs/dbraw/zinc/56/57/86/553565786.db2.gz CLAUNHWWPRJSDN-UHFFFAOYSA-N 1 1 533.694 4.220 40 0 KIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3OC)cc2Cl)CC1 ZINC000016681557 553572026 /nfs/dbraw/zinc/57/20/26/553572026.db2.gz JQTPHCIJDILKOX-UHFFFAOYSA-N 1 1 511.873 4.380 40 0 KIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c(Br)c3)cc2Cl)CC1 ZINC000016681560 553572049 /nfs/dbraw/zinc/57/20/49/553572049.db2.gz KHEMPCYXMRMAOT-UHFFFAOYSA-N 1 1 511.873 4.380 40 0 KIABMO O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000017413850 553595394 /nfs/dbraw/zinc/59/53/94/553595394.db2.gz ABEQIKINFLCKAJ-LITSAYRRSA-N 1 1 548.659 4.022 40 0 KIABMO O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000017413854 553595383 /nfs/dbraw/zinc/59/53/83/553595383.db2.gz ABEQIKINFLCKAJ-WNJJXGMVSA-N 1 1 548.659 4.022 40 0 KIABMO O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000017413859 553595376 /nfs/dbraw/zinc/59/53/76/553595376.db2.gz ABEQIKINFLCKAJ-GGXMVOPNSA-N 1 1 548.659 4.022 40 0 KIABMO O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000017413862 553595441 /nfs/dbraw/zinc/59/54/41/553595441.db2.gz ABEQIKINFLCKAJ-UHSQPCAPSA-N 1 1 548.659 4.022 40 0 KIABMO O[C@@H](COc1ccc([C@@H]2C=CCC2)cc1)C[NH+]1CCN(C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000019359049 553613729 /nfs/dbraw/zinc/61/37/29/553613729.db2.gz MIYQPXBEPVFSNI-JXALSKIBSA-N 1 1 518.698 4.351 40 0 KIABMO O[C@@H](COc1ccc([C@@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000019359049 553613724 /nfs/dbraw/zinc/61/37/24/553613724.db2.gz MIYQPXBEPVFSNI-JXALSKIBSA-N 1 1 518.698 4.351 40 0 KIABMO Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1Cl ZINC000019823375 553620694 /nfs/dbraw/zinc/62/06/94/553620694.db2.gz ABIPWJLSCSZENK-UHFFFAOYSA-N 1 1 517.070 4.228 40 0 KIABMO CCOc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000019824148 553620658 /nfs/dbraw/zinc/62/06/58/553620658.db2.gz HWJDAINYCMBYHV-UHFFFAOYSA-N 1 1 508.688 4.465 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000019824526 553620878 /nfs/dbraw/zinc/62/08/78/553620878.db2.gz IOJSQBWGMALFGH-NRFANRHFSA-N 1 1 508.688 4.087 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000019824530 553620907 /nfs/dbraw/zinc/62/09/07/553620907.db2.gz IOJSQBWGMALFGH-OAQYLSRUSA-N 1 1 508.688 4.087 40 0 KIABMO Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCC[NH+]2CCOCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)o1 ZINC000019825787 553621493 /nfs/dbraw/zinc/62/14/93/553621493.db2.gz ALESSJXTPMDGSZ-AREMUKBSSA-N 1 1 506.647 4.404 40 0 KIABMO Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCC[NH+]2CCOCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)o1 ZINC000019825790 553621452 /nfs/dbraw/zinc/62/14/52/553621452.db2.gz ALESSJXTPMDGSZ-SANMLTNESA-N 1 1 506.647 4.404 40 0 KIABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826068 553621602 /nfs/dbraw/zinc/62/16/02/553621602.db2.gz BICYJFAGMCPBRQ-MUUNZHRXSA-N 1 1 527.673 4.244 40 0 KIABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)ccc4[nH]c3=O)CC2)c1 ZINC000019826072 553621660 /nfs/dbraw/zinc/62/16/60/553621660.db2.gz BICYJFAGMCPBRQ-NDEPHWFRSA-N 1 1 527.673 4.244 40 0 KIABMO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019826553 553622152 /nfs/dbraw/zinc/62/21/52/553622152.db2.gz HQZUWHPJIHBAJC-GDLZYMKVSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019826555 553622145 /nfs/dbraw/zinc/62/21/45/553622145.db2.gz HQZUWHPJIHBAJC-LJAQVGFWSA-N 1 1 519.653 4.087 40 0 KIABMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019856605 553627776 /nfs/dbraw/zinc/62/77/76/553627776.db2.gz OIZMBKHYCCOYGV-UHFFFAOYSA-N 1 1 503.974 4.027 40 0 KIABMO COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccccc1 ZINC000019931608 553635124 /nfs/dbraw/zinc/63/51/24/553635124.db2.gz RTVGVEJRUSTKST-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccccc1 ZINC000019933030 553635685 /nfs/dbraw/zinc/63/56/85/553635685.db2.gz OQZIRFPQBPFZQA-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940305 553638371 /nfs/dbraw/zinc/63/83/71/553638371.db2.gz KRPVEAVLPYHFNE-GDLZYMKVSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940306 553638409 /nfs/dbraw/zinc/63/84/09/553638409.db2.gz KRPVEAVLPYHFNE-LJAQVGFWSA-N 1 1 519.653 4.087 40 0 KIABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940364 553638744 /nfs/dbraw/zinc/63/87/44/553638744.db2.gz RFEDDYAYXFQMJQ-MUUNZHRXSA-N 1 1 527.673 4.326 40 0 KIABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940365 553638722 /nfs/dbraw/zinc/63/87/22/553638722.db2.gz RFEDDYAYXFQMJQ-NDEPHWFRSA-N 1 1 527.673 4.326 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000019940690 553640428 /nfs/dbraw/zinc/64/04/28/553640428.db2.gz STJNHMTVHOCWAM-MUUNZHRXSA-N 1 1 527.673 4.108 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000019940691 553640449 /nfs/dbraw/zinc/64/04/49/553640449.db2.gz STJNHMTVHOCWAM-NDEPHWFRSA-N 1 1 527.673 4.108 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940704 553640659 /nfs/dbraw/zinc/64/06/59/553640659.db2.gz BAXQVBFSAJZHGS-MUUNZHRXSA-N 1 1 511.674 4.489 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940705 553640629 /nfs/dbraw/zinc/64/06/29/553640629.db2.gz BAXQVBFSAJZHGS-NDEPHWFRSA-N 1 1 511.674 4.489 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940718 553640639 /nfs/dbraw/zinc/64/06/39/553640639.db2.gz QFSWPVRQVPIFQY-GDLZYMKVSA-N 1 1 519.653 4.033 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940719 553640663 /nfs/dbraw/zinc/64/06/63/553640663.db2.gz QFSWPVRQVPIFQY-LJAQVGFWSA-N 1 1 519.653 4.033 40 0 KIABMO Cc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940802 553641230 /nfs/dbraw/zinc/64/12/30/553641230.db2.gz LOFYNGCGFXOVRH-GDLZYMKVSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940803 553641143 /nfs/dbraw/zinc/64/11/43/553641143.db2.gz LOFYNGCGFXOVRH-LJAQVGFWSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940894 553641647 /nfs/dbraw/zinc/64/16/47/553641647.db2.gz GJJJIJIAYQCANL-GDLZYMKVSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940895 553641630 /nfs/dbraw/zinc/64/16/30/553641630.db2.gz GJJJIJIAYQCANL-LJAQVGFWSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940962 553641922 /nfs/dbraw/zinc/64/19/22/553641922.db2.gz YUONITKRXUOTCY-GDLZYMKVSA-N 1 1 519.653 4.087 40 0 KIABMO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940963 553641970 /nfs/dbraw/zinc/64/19/70/553641970.db2.gz YUONITKRXUOTCY-LJAQVGFWSA-N 1 1 519.653 4.087 40 0 KIABMO O=C(NC1CCCC1)[C@H](c1ccncc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019941119 553642472 /nfs/dbraw/zinc/64/24/72/553642472.db2.gz PBRXEZLGZJJWLK-NDEPHWFRSA-N 1 1 515.658 4.041 40 0 KIABMO O=C(NC1CCCC1)[C@@H](c1ccncc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019941120 553642458 /nfs/dbraw/zinc/64/24/58/553642458.db2.gz PBRXEZLGZJJWLK-MUUNZHRXSA-N 1 1 515.658 4.041 40 0 KIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019941686 553645796 /nfs/dbraw/zinc/64/57/96/553645796.db2.gz PMHNAYDZSTYFFT-MHZLTWQESA-N 1 1 529.689 4.192 40 0 KIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000019941687 553645775 /nfs/dbraw/zinc/64/57/75/553645775.db2.gz PMHNAYDZSTYFFT-HHHXNRCGSA-N 1 1 529.689 4.192 40 0 KIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000020038417 553668263 /nfs/dbraw/zinc/66/82/63/553668263.db2.gz MPIURHJKJGMHQV-HDICACEKSA-N 1 1 504.524 4.019 40 0 KIABMO COc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020038963 553668323 /nfs/dbraw/zinc/66/83/23/553668323.db2.gz LZALAYOABZEERI-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)cc1Cl ZINC000020040984 553668907 /nfs/dbraw/zinc/66/89/07/553668907.db2.gz RNJOMXBQKVSCLB-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020048618 553670415 /nfs/dbraw/zinc/67/04/15/553670415.db2.gz FKTOTQMOFOBUPE-UHFFFAOYSA-N 1 1 518.639 4.318 40 0 KIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020079634 553676834 /nfs/dbraw/zinc/67/68/34/553676834.db2.gz HPODGTFACCHYHM-MHZLTWQESA-N 1 1 529.689 4.192 40 0 KIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020079637 553676881 /nfs/dbraw/zinc/67/68/81/553676881.db2.gz HPODGTFACCHYHM-HHHXNRCGSA-N 1 1 529.689 4.192 40 0 KIABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020079952 553677579 /nfs/dbraw/zinc/67/75/79/553677579.db2.gz LNIXUEVSATVFOB-MHZLTWQESA-N 1 1 529.689 4.192 40 0 KIABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000020079955 553677662 /nfs/dbraw/zinc/67/76/62/553677662.db2.gz LNIXUEVSATVFOB-HHHXNRCGSA-N 1 1 529.689 4.192 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(Cl)cc2)cc1 ZINC000020104413 553688545 /nfs/dbraw/zinc/68/85/45/553688545.db2.gz FVVUHLDCZWIALB-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020105286 553689395 /nfs/dbraw/zinc/68/93/95/553689395.db2.gz HLVXHZLTYAYLHU-HXUWFJFHSA-N 1 1 504.612 4.444 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000020105288 553689404 /nfs/dbraw/zinc/68/94/04/553689404.db2.gz HLVXHZLTYAYLHU-FQEVSTJZSA-N 1 1 504.612 4.444 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020106433 553690019 /nfs/dbraw/zinc/69/00/19/553690019.db2.gz ZBBOARJXQBJLCE-UHFFFAOYSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000020108230 553691181 /nfs/dbraw/zinc/69/11/81/553691181.db2.gz OYXZCEJGZKBEPN-HXUWFJFHSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000020108231 553691122 /nfs/dbraw/zinc/69/11/22/553691122.db2.gz OYXZCEJGZKBEPN-FQEVSTJZSA-N 1 1 521.470 4.346 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000020109298 553692376 /nfs/dbraw/zinc/69/23/76/553692376.db2.gz DPCPFHMWKMSEIA-SSEXGKCCSA-N 1 1 533.680 4.227 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000020109299 553692369 /nfs/dbraw/zinc/69/23/69/553692369.db2.gz DPCPFHMWKMSEIA-PMERELPUSA-N 1 1 533.680 4.227 40 0 KIABMO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020109374 553692579 /nfs/dbraw/zinc/69/25/79/553692579.db2.gz IKTMEFGOMVKASO-AHKZPQOWSA-N 1 1 500.647 4.452 40 0 KIABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020109374 553692575 /nfs/dbraw/zinc/69/25/75/553692575.db2.gz IKTMEFGOMVKASO-AHKZPQOWSA-N 1 1 500.647 4.452 40 0 KIABMO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020109375 553692709 /nfs/dbraw/zinc/69/27/09/553692709.db2.gz IKTMEFGOMVKASO-BDYUSTAISA-N 1 1 500.647 4.452 40 0 KIABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020109375 553692706 /nfs/dbraw/zinc/69/27/06/553692706.db2.gz IKTMEFGOMVKASO-BDYUSTAISA-N 1 1 500.647 4.452 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020110930 553693717 /nfs/dbraw/zinc/69/37/17/553693717.db2.gz XMRLIDFHVPENJC-UHFFFAOYSA-N 1 1 521.470 4.346 40 0 KIABMO CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218781 553614480 /nfs/dbraw/zinc/61/44/80/553614480.db2.gz RSTSXCNYIMRBBZ-SANMLTNESA-N 1 1 509.672 4.279 40 0 KIABMO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000020218783 553614384 /nfs/dbraw/zinc/61/43/84/553614384.db2.gz RSTSXCNYIMRBBZ-AREMUKBSSA-N 1 1 509.672 4.279 40 0 KIABMO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020236229 553622974 /nfs/dbraw/zinc/62/29/74/553622974.db2.gz NWILFSBKYFHPNG-UHFFFAOYSA-N 1 1 528.074 4.197 40 0 KIABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)cc2C)cc1 ZINC000020236345 553623282 /nfs/dbraw/zinc/62/32/82/553623282.db2.gz QUJXCOSTCUEXML-UHFFFAOYSA-N 1 1 512.075 4.497 40 0 KIABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(Cl)ccc2C)cc1 ZINC000020236389 553623252 /nfs/dbraw/zinc/62/32/52/553623252.db2.gz LTIVDIYCVIZNHD-UHFFFAOYSA-N 1 1 512.075 4.497 40 0 KIABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Cl)c2C)cc1 ZINC000020236453 553623199 /nfs/dbraw/zinc/62/31/99/553623199.db2.gz FXHCJFVIJVXVJA-UHFFFAOYSA-N 1 1 512.075 4.497 40 0 KIABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020236552 553623569 /nfs/dbraw/zinc/62/35/69/553623569.db2.gz ZCUQYHOIMFZJEW-UHFFFAOYSA-N 1 1 528.074 4.197 40 0 KIABMO Cc1cc(Cl)ccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000020237383 553623988 /nfs/dbraw/zinc/62/39/88/553623988.db2.gz SCLXPKHMVFYGBF-UHFFFAOYSA-N 1 1 512.075 4.348 40 0 KIABMO Cc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000020237497 553624025 /nfs/dbraw/zinc/62/40/25/553624025.db2.gz HKLIKTVPECMIOP-UHFFFAOYSA-N 1 1 512.075 4.348 40 0 KIABMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000020237531 553624087 /nfs/dbraw/zinc/62/40/87/553624087.db2.gz IHOSEALEOKHDMB-UHFFFAOYSA-N 1 1 528.074 4.048 40 0 KIABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)CC1 ZINC000020242108 553627102 /nfs/dbraw/zinc/62/71/02/553627102.db2.gz WTQZNMHSDSNDPN-UHFFFAOYSA-N 1 1 511.626 4.068 40 0 KIABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448697 553650410 /nfs/dbraw/zinc/65/04/10/553650410.db2.gz ADTNCQUTQRNUCA-HXUWFJFHSA-N 1 1 510.059 4.438 40 0 KIABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448700 553650432 /nfs/dbraw/zinc/65/04/32/553650432.db2.gz ADTNCQUTQRNUCA-FQEVSTJZSA-N 1 1 510.059 4.438 40 0 KIABMO CCS(=O)(=O)N1c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2C[C@@H]1C ZINC000020449195 553650666 /nfs/dbraw/zinc/65/06/66/553650666.db2.gz XFTRCSNJHWWUDZ-QFIPXVFZSA-N 1 1 503.668 4.335 40 0 KIABMO CCS(=O)(=O)N1c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2C[C@H]1C ZINC000020449197 553650713 /nfs/dbraw/zinc/65/07/13/553650713.db2.gz XFTRCSNJHWWUDZ-JOCHJYFZSA-N 1 1 503.668 4.335 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(C)cc2)cc1 ZINC000020450717 553651020 /nfs/dbraw/zinc/65/10/20/553651020.db2.gz YDNSRQSDXOVJKC-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000020451084 553651062 /nfs/dbraw/zinc/65/10/62/553651062.db2.gz RTSGADLPEYKRJB-HXUWFJFHSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000020451086 553651078 /nfs/dbraw/zinc/65/10/78/553651078.db2.gz RTSGADLPEYKRJB-FQEVSTJZSA-N 1 1 521.470 4.346 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020454633 553652472 /nfs/dbraw/zinc/65/24/72/553652472.db2.gz XGOKBUPYRKEXRL-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(C)cc2)cc1 ZINC000020455067 553652701 /nfs/dbraw/zinc/65/27/01/553652701.db2.gz JLKUUVOIVORMDC-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020455458 553652605 /nfs/dbraw/zinc/65/26/05/553652605.db2.gz VKKCOBULJWZFPH-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020456182 553653193 /nfs/dbraw/zinc/65/31/93/553653193.db2.gz FSZINKLKTALDSG-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO COc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020456346 553653262 /nfs/dbraw/zinc/65/32/62/553653262.db2.gz MKBBLSLPPUNIAA-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020460691 553655528 /nfs/dbraw/zinc/65/55/28/553655528.db2.gz XJUJRAWDNYYJRA-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)cc1 ZINC000020460812 553655578 /nfs/dbraw/zinc/65/55/78/553655578.db2.gz MWUNJXXHPDCXSJ-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000020481707 553658036 /nfs/dbraw/zinc/65/80/36/553658036.db2.gz IDQZCLFDNGNYIA-UHFFFAOYSA-N 1 1 521.618 4.063 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(C)cc2)cc1 ZINC000020481981 553658060 /nfs/dbraw/zinc/65/80/60/553658060.db2.gz LXEGGMMREFWCML-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020483244 553658264 /nfs/dbraw/zinc/65/82/64/553658264.db2.gz OBWZPLBNKZYKAK-UHFFFAOYSA-N 1 1 505.640 4.290 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000020484347 553658574 /nfs/dbraw/zinc/65/85/74/553658574.db2.gz ATIJBHRPNBWWCZ-UHFFFAOYSA-N 1 1 512.994 4.485 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020484916 553658757 /nfs/dbraw/zinc/65/87/57/553658757.db2.gz UTQQSCUMJCBHPY-UHFFFAOYSA-N 1 1 521.470 4.346 40 0 KIABMO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020484922 553658815 /nfs/dbraw/zinc/65/88/15/553658815.db2.gz KUWFNIROLSNRSD-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000020485158 553658779 /nfs/dbraw/zinc/65/87/79/553658779.db2.gz VIPPYOCZMJHUFU-HXUWFJFHSA-N 1 1 504.612 4.444 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000020485161 553658825 /nfs/dbraw/zinc/65/88/25/553658825.db2.gz VIPPYOCZMJHUFU-FQEVSTJZSA-N 1 1 504.612 4.444 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000020486822 553659265 /nfs/dbraw/zinc/65/92/65/553659265.db2.gz JRPUTLFONWUKGK-UHFFFAOYSA-N 1 1 521.470 4.346 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccccc2)cc1 ZINC000020488276 553659389 /nfs/dbraw/zinc/65/93/89/553659389.db2.gz HFNNIMZYGUJUHV-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020490828 553662415 /nfs/dbraw/zinc/66/24/15/553662415.db2.gz FENAVSGBDCONDS-LJQANCHMSA-N 1 1 504.524 4.306 40 0 KIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000020490830 553662548 /nfs/dbraw/zinc/66/25/48/553662548.db2.gz FENAVSGBDCONDS-IBGZPJMESA-N 1 1 504.524 4.306 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020494198 553666892 /nfs/dbraw/zinc/66/68/92/553666892.db2.gz ZICBJEZLLXFMGW-UHFFFAOYSA-N 1 1 518.639 4.400 40 0 KIABMO Cn1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3CN3CCOCC3)c4=O)C2)c2ccccc21 ZINC000020503636 553667604 /nfs/dbraw/zinc/66/76/04/553667604.db2.gz NALYAMZCJQLLGO-UKILVPOCSA-N 1 1 508.666 4.459 40 0 biogenic,in-vitro KIABMO COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022230059 553728008 /nfs/dbraw/zinc/72/80/08/553728008.db2.gz KSGCYUCZGZAYOV-HHHXNRCGSA-N 1 1 533.694 4.091 40 0 KIABMO COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022230062 553727921 /nfs/dbraw/zinc/72/79/21/553727921.db2.gz KSGCYUCZGZAYOV-MHZLTWQESA-N 1 1 533.694 4.091 40 0 KIABMO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022232289 553728786 /nfs/dbraw/zinc/72/87/86/553728786.db2.gz AGHMIYVWOBFZKL-UHFFFAOYSA-N 1 1 528.074 4.029 40 0 KIABMO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022233226 553729195 /nfs/dbraw/zinc/72/91/95/553729195.db2.gz LUANFSLFQIVZNJ-UHFFFAOYSA-N 1 1 528.074 4.029 40 0 KIABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000022259523 553733731 /nfs/dbraw/zinc/73/37/31/553733731.db2.gz CHZOVRBDOJUEJY-HHHXNRCGSA-N 1 1 517.695 4.330 40 0 KIABMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000022259527 553733752 /nfs/dbraw/zinc/73/37/52/553733752.db2.gz CHZOVRBDOJUEJY-MHZLTWQESA-N 1 1 517.695 4.330 40 0 KIABMO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000022428737 553739182 /nfs/dbraw/zinc/73/91/82/553739182.db2.gz HPXPKHOUOYXXPP-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022428801 553739142 /nfs/dbraw/zinc/73/91/42/553739142.db2.gz YVCXQSWHWSRJFE-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428807 553739208 /nfs/dbraw/zinc/73/92/08/553739208.db2.gz GRPMFNXCGBOOMH-UHFFFAOYSA-N 1 1 504.612 4.091 40 0 KIABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccccc1 ZINC000022429176 553739552 /nfs/dbraw/zinc/73/95/52/553739552.db2.gz SDDRSUVEYASKPZ-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000022429182 553739429 /nfs/dbraw/zinc/73/94/29/553739429.db2.gz ICFDDSJSAYMCLH-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000022429235 553739538 /nfs/dbraw/zinc/73/95/38/553739538.db2.gz CNXBYZCIMQSSBI-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429581 553740000 /nfs/dbraw/zinc/74/00/00/553740000.db2.gz PZIMWTCLKOHOMZ-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO COc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431048 553741041 /nfs/dbraw/zinc/74/10/41/553741041.db2.gz QODNTDRTAUZLRJ-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022431722 553741849 /nfs/dbraw/zinc/74/18/49/553741849.db2.gz LGUBMVRDDOPDSL-UHFFFAOYSA-N 1 1 518.639 4.318 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000022511016 553742974 /nfs/dbraw/zinc/74/29/74/553742974.db2.gz GSABGUXJDCDEFB-LJQANCHMSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000022511022 553743009 /nfs/dbraw/zinc/74/30/09/553743009.db2.gz GSABGUXJDCDEFB-IBGZPJMESA-N 1 1 521.470 4.346 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022514577 553743290 /nfs/dbraw/zinc/74/32/90/553743290.db2.gz GLTMFYXSEUYICA-UHFFFAOYSA-N 1 1 522.602 4.230 40 0 KIABMO O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022517585 553743901 /nfs/dbraw/zinc/74/39/01/553743901.db2.gz CKUJNSXQZHSDCU-UHFFFAOYSA-N 1 1 503.668 4.160 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000022524151 553744554 /nfs/dbraw/zinc/74/45/54/553744554.db2.gz MHYACLXUTJLLGD-VWLOTQADSA-N 1 1 523.014 4.107 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)cc1 ZINC000022524158 553744539 /nfs/dbraw/zinc/74/45/39/553744539.db2.gz MHYACLXUTJLLGD-RUZDIDTESA-N 1 1 523.014 4.107 40 0 KIABMO O[C@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000022807833 553750963 /nfs/dbraw/zinc/75/09/63/553750963.db2.gz MIYQPXBEPVFSNI-ATACATFBSA-N 1 1 518.698 4.351 40 0 KIABMO CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000022861305 553763123 /nfs/dbraw/zinc/76/31/23/553763123.db2.gz CDLXIGJMWUBLMY-UHFFFAOYSA-N 1 1 532.710 4.239 40 0 KIABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866286 553763400 /nfs/dbraw/zinc/76/34/00/553763400.db2.gz SSWUKRAIMALMJG-LJAQVGFWSA-N 1 1 557.699 4.334 40 0 KIABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866344 553763430 /nfs/dbraw/zinc/76/34/30/553763430.db2.gz SSWUKRAIMALMJG-GDLZYMKVSA-N 1 1 557.699 4.334 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866414 553763673 /nfs/dbraw/zinc/76/36/73/553763673.db2.gz WANPTZDRTUZIFT-LJAQVGFWSA-N 1 1 541.700 4.498 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866418 553763761 /nfs/dbraw/zinc/76/37/61/553763761.db2.gz VIZKRYSHIPSVJI-LJAQVGFWSA-N 1 1 541.700 4.498 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866471 553763670 /nfs/dbraw/zinc/76/36/70/553763670.db2.gz HHNUPIICOLVOJV-LJAQVGFWSA-N 1 1 537.643 4.172 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866476 553763752 /nfs/dbraw/zinc/76/37/52/553763752.db2.gz QTAZGYAUWJIIQL-PMERELPUSA-N 1 1 549.679 4.041 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866487 553763790 /nfs/dbraw/zinc/76/37/90/553763790.db2.gz OQPWYYMRXCXPCH-PMERELPUSA-N 1 1 549.679 4.041 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866491 553763664 /nfs/dbraw/zinc/76/36/64/553763664.db2.gz SGXOKCRZFIDNQK-PMERELPUSA-N 1 1 549.679 4.041 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866525 553763682 /nfs/dbraw/zinc/76/36/82/553763682.db2.gz WANPTZDRTUZIFT-GDLZYMKVSA-N 1 1 541.700 4.498 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866530 553764177 /nfs/dbraw/zinc/76/41/77/553764177.db2.gz VIZKRYSHIPSVJI-GDLZYMKVSA-N 1 1 541.700 4.498 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866587 553764101 /nfs/dbraw/zinc/76/41/01/553764101.db2.gz HHNUPIICOLVOJV-GDLZYMKVSA-N 1 1 537.643 4.172 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022866591 553764160 /nfs/dbraw/zinc/76/41/60/553764160.db2.gz QTAZGYAUWJIIQL-SSEXGKCCSA-N 1 1 549.679 4.041 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2c1 ZINC000022866602 553764036 /nfs/dbraw/zinc/76/40/36/553764036.db2.gz OQPWYYMRXCXPCH-SSEXGKCCSA-N 1 1 549.679 4.041 40 0 KIABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4cccc(OC)c4)CC3)cc2c1 ZINC000022866608 553764155 /nfs/dbraw/zinc/76/41/55/553764155.db2.gz SGXOKCRZFIDNQK-SSEXGKCCSA-N 1 1 549.679 4.041 40 0 KIABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022869645 553764614 /nfs/dbraw/zinc/76/46/14/553764614.db2.gz QCOMEPNWIBIXPE-LJAQVGFWSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022869650 553764605 /nfs/dbraw/zinc/76/46/05/553764605.db2.gz SJIHDMXCZVCBBI-PMERELPUSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000022869726 553764708 /nfs/dbraw/zinc/76/47/08/553764708.db2.gz QCOMEPNWIBIXPE-GDLZYMKVSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022869731 553764648 /nfs/dbraw/zinc/76/46/48/553764648.db2.gz SJIHDMXCZVCBBI-SSEXGKCCSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869797 553765032 /nfs/dbraw/zinc/76/50/32/553765032.db2.gz CJLWBNWRFYUXET-LJAQVGFWSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022869806 553765016 /nfs/dbraw/zinc/76/50/16/553765016.db2.gz VZGQFSXVMPZYTE-PMERELPUSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869873 553764980 /nfs/dbraw/zinc/76/49/80/553764980.db2.gz CJLWBNWRFYUXET-GDLZYMKVSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022869881 553765005 /nfs/dbraw/zinc/76/50/05/553765005.db2.gz VZGQFSXVMPZYTE-SSEXGKCCSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870189 553765319 /nfs/dbraw/zinc/76/53/19/553765319.db2.gz XOBUSBQXTBVWLU-LJAQVGFWSA-N 1 1 537.643 4.226 40 0 KIABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870207 553765286 /nfs/dbraw/zinc/76/52/86/553765286.db2.gz FLYCAULTJCQSOB-PMERELPUSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000022870292 553765330 /nfs/dbraw/zinc/76/53/30/553765330.db2.gz XOBUSBQXTBVWLU-GDLZYMKVSA-N 1 1 537.643 4.226 40 0 KIABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3Cc3ccccc3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870310 553765215 /nfs/dbraw/zinc/76/52/15/553765215.db2.gz FLYCAULTJCQSOB-SSEXGKCCSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000022870377 553765566 /nfs/dbraw/zinc/76/55/66/553765566.db2.gz QUYRKEZRLICSAD-LJAQVGFWSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022870381 553765523 /nfs/dbraw/zinc/76/55/23/553765523.db2.gz VONWCJADUOGJNY-PMERELPUSA-N 1 1 549.679 4.096 40 0 KIABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000022871645 553765515 /nfs/dbraw/zinc/76/55/15/553765515.db2.gz QUYRKEZRLICSAD-GDLZYMKVSA-N 1 1 537.643 4.226 40 0 KIABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022871648 553765584 /nfs/dbraw/zinc/76/55/84/553765584.db2.gz VONWCJADUOGJNY-SSEXGKCCSA-N 1 1 549.679 4.096 40 0 KIABMO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CC[NH+](C[C@@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000022918506 553766861 /nfs/dbraw/zinc/76/68/61/553766861.db2.gz MIYQPXBEPVFSNI-SRPPIYJJSA-N 1 1 518.698 4.351 40 0 KIABMO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)C[NH+]1CCN(C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000022918510 553766752 /nfs/dbraw/zinc/76/67/52/553766752.db2.gz MIYQPXBEPVFSNI-RPQLRNILSA-N 1 1 518.698 4.351 40 0 KIABMO O[C@@H](COc1ccc([C@H]2C=CCC2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc([C@H]3C=CCC3)cc2)CC1 ZINC000022918510 553766748 /nfs/dbraw/zinc/76/67/48/553766748.db2.gz MIYQPXBEPVFSNI-RPQLRNILSA-N 1 1 518.698 4.351 40 0 KIABMO CCOC(=O)c1sc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C(=O)Nc2ccccc2)c1C ZINC000023249129 553771757 /nfs/dbraw/zinc/77/17/57/553771757.db2.gz QWPXXNNOTULOGY-UHFFFAOYSA-N 1 1 520.655 4.242 40 0 KIABMO CCc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767217 553813338 /nfs/dbraw/zinc/81/33/38/553813338.db2.gz VGJSANYGPPXJSW-UHFFFAOYSA-N 1 1 521.683 4.106 40 0 KIABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000026111228 553815353 /nfs/dbraw/zinc/81/53/53/553815353.db2.gz KNXRVNYCVMXSPA-AREMUKBSSA-N 1 1 533.694 4.030 40 0 KIABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000026111234 553815230 /nfs/dbraw/zinc/81/52/30/553815230.db2.gz KNXRVNYCVMXSPA-SANMLTNESA-N 1 1 533.694 4.030 40 0 KIABMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000027232038 553825348 /nfs/dbraw/zinc/82/53/48/553825348.db2.gz KWOZVKJQBKCIQA-UHFFFAOYSA-N 1 1 511.651 4.380 40 0 KIABMO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027329681 553825582 /nfs/dbraw/zinc/82/55/82/553825582.db2.gz KDWDLAAEGRKSBO-CXSMSNRLSA-N 1 1 513.937 4.223 40 0 KIABMO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027329681 553825579 /nfs/dbraw/zinc/82/55/79/553825579.db2.gz KDWDLAAEGRKSBO-CXSMSNRLSA-N 1 1 513.937 4.223 40 0 KIABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000028207765 553838116 /nfs/dbraw/zinc/83/81/16/553838116.db2.gz YHZQFQQBLKPGGL-UHFFFAOYSA-N 1 1 535.710 4.338 40 0 KIABMO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028208532 553838196 /nfs/dbraw/zinc/83/81/96/553838196.db2.gz XONANARARLEJCG-UHFFFAOYSA-N 1 1 517.695 4.338 40 0 KIABMO O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028208810 553838028 /nfs/dbraw/zinc/83/80/28/553838028.db2.gz AAGMBINZHCCPOC-UHFFFAOYSA-N 1 1 503.668 4.105 40 0 KIABMO CCOC(=O)C1=C(C)N(CC[NH+]2CCOCC2)C(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F ZINC000030690993 553855126 /nfs/dbraw/zinc/85/51/26/553855126.db2.gz RSXGUJLKWYUPMC-UHFFFAOYSA-N 1 1 510.553 4.111 40 0 in-man KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030754614 553856580 /nfs/dbraw/zinc/85/65/80/553856580.db2.gz LGXKRNFSYOOSLG-UHFFFAOYSA-N 1 1 521.470 4.346 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(Cl)cc2)cc1 ZINC000030755200 553856527 /nfs/dbraw/zinc/85/65/27/553856527.db2.gz AKONPHSTPQJOAX-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN(c3ccccc3F)S(=O)(=O)N(C)C)cc2)cc1 ZINC000030851542 553858081 /nfs/dbraw/zinc/85/80/81/553858081.db2.gz VTYQUIQPARRWRY-UHFFFAOYSA-N 1 1 521.618 4.063 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000030853422 553858252 /nfs/dbraw/zinc/85/82/52/553858252.db2.gz QIEUIJOXIRWCLS-VWLOTQADSA-N 1 1 523.014 4.107 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000030853427 553858374 /nfs/dbraw/zinc/85/83/74/553858374.db2.gz QIEUIJOXIRWCLS-RUZDIDTESA-N 1 1 523.014 4.107 40 0 KIABMO CC1=C(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1 ZINC000031284341 553861196 /nfs/dbraw/zinc/86/11/96/553861196.db2.gz ZGRIPYHIFXGCHR-AREMUKBSSA-N 1 1 524.589 4.416 40 0 in-man KIABMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000032107110 553862673 /nfs/dbraw/zinc/86/26/73/553862673.db2.gz KDCLVHOWHYBYJD-UHFFFAOYSA-N 1 1 517.695 4.330 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937175 553979330 /nfs/dbraw/zinc/97/93/30/553979330.db2.gz HAVGZIPXIMZCBF-VPUSJEBWSA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937175 553979328 /nfs/dbraw/zinc/97/93/28/553979328.db2.gz HAVGZIPXIMZCBF-VPUSJEBWSA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937176 553979307 /nfs/dbraw/zinc/97/93/07/553979307.db2.gz HAVGZIPXIMZCBF-XNMGPUDCSA-N 1 1 516.646 4.288 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937176 553979305 /nfs/dbraw/zinc/97/93/05/553979305.db2.gz HAVGZIPXIMZCBF-XNMGPUDCSA-N 1 1 516.646 4.288 40 0 KIABMO CCOC(=O)C1=C(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000034087012 553980608 /nfs/dbraw/zinc/98/06/08/553980608.db2.gz XCMGVMZZXNHNBO-BTTMQRIASA-N 1 1 513.997 4.165 40 0 KIABMO CCOC(=O)C1=C(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000034087012 553980604 /nfs/dbraw/zinc/98/06/04/553980604.db2.gz XCMGVMZZXNHNBO-BTTMQRIASA-N 1 1 513.997 4.165 40 0 KIABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccccc1 ZINC000034760292 554001602 /nfs/dbraw/zinc/00/16/02/554001602.db2.gz VVDYINAQYBQBNC-NRFANRHFSA-N 1 1 528.074 4.103 40 0 KIABMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccccc1 ZINC000034760297 554001512 /nfs/dbraw/zinc/00/15/12/554001512.db2.gz VVDYINAQYBQBNC-OAQYLSRUSA-N 1 1 528.074 4.103 40 0 KIABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035396312 554047308 /nfs/dbraw/zinc/04/73/08/554047308.db2.gz HWDPFJYBEWFTIK-MTXNFPGFSA-N 1 1 503.908 4.204 40 0 KIABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccc(OC(F)(F)F)c4)n3)ccn2)CC1 ZINC000035424743 554050394 /nfs/dbraw/zinc/05/03/94/554050394.db2.gz RLQKTEPNTGHAAG-FQEVSTJZSA-N 1 1 516.524 4.069 40 0 biogenic,in-vitro KIABMO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccc(OC(F)(F)F)c4)n3)ccn2)CC1 ZINC000035424743 554050392 /nfs/dbraw/zinc/05/03/92/554050392.db2.gz RLQKTEPNTGHAAG-FQEVSTJZSA-N 1 1 516.524 4.069 40 0 biogenic,in-vitro KIABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806809 554076080 /nfs/dbraw/zinc/07/60/80/554076080.db2.gz GPMILASLXAYRTN-XOSPKBLGSA-N 1 1 507.590 4.408 40 0 KIABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806811 554075949 /nfs/dbraw/zinc/07/59/49/554075949.db2.gz GPMILASLXAYRTN-SDDLEPOWSA-N 1 1 507.590 4.408 40 0 KIABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806813 554075958 /nfs/dbraw/zinc/07/59/58/554075958.db2.gz GPMILASLXAYRTN-QXRRIYKASA-N 1 1 507.590 4.408 40 0 KIABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807161 554076031 /nfs/dbraw/zinc/07/60/31/554076031.db2.gz TXAPGBAUFDPOSG-OTEJJTPWSA-N 1 1 507.590 4.408 40 0 KIABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807162 554076062 /nfs/dbraw/zinc/07/60/62/554076062.db2.gz TXAPGBAUFDPOSG-LXWFZJDPSA-N 1 1 507.590 4.408 40 0 KIABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807164 554076010 /nfs/dbraw/zinc/07/60/10/554076010.db2.gz TXAPGBAUFDPOSG-WGXQNPJDSA-N 1 1 507.590 4.408 40 0 KIABMO COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000038147256 554270231 /nfs/dbraw/zinc/27/02/31/554270231.db2.gz QEVHRUUCFGRFIF-BHYMISCVSA-N 1 1 608.688 4.171 40 0 KIABMO COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000038147256 554270228 /nfs/dbraw/zinc/27/02/28/554270228.db2.gz QEVHRUUCFGRFIF-BHYMISCVSA-N 1 1 608.688 4.171 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038753380 554275689 /nfs/dbraw/zinc/27/56/89/554275689.db2.gz NJDZAFIPYHNNIV-LJQANCHMSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038753382 554275784 /nfs/dbraw/zinc/27/57/84/554275784.db2.gz NJDZAFIPYHNNIV-IBGZPJMESA-N 1 1 521.470 4.346 40 0 KIABMO COc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000038755695 554276629 /nfs/dbraw/zinc/27/66/29/554276629.db2.gz CAMTWBYRSFOUMM-UHFFFAOYSA-N 1 1 504.612 4.009 40 0 KIABMO CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(ccn3C(=O)C[NH+](C)C)cc2OC)nc2[nH]ccc21 ZINC000039191422 1064272521 /nfs/dbraw/zinc/27/25/21/1064272521.db2.gz DESOLSKAHZZIGK-UHFFFAOYSA-N 1 1 530.564 4.109 40 0 in-vitro KIABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000039750220 554280043 /nfs/dbraw/zinc/28/00/43/554280043.db2.gz NAALFRLGJPUFLO-UHFFFAOYSA-N 1 1 527.618 4.494 40 0 KIABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c(OC)c1 ZINC000039753498 554280363 /nfs/dbraw/zinc/28/03/63/554280363.db2.gz UWOOTUNRTYPIJS-UHFFFAOYSA-N 1 1 527.618 4.494 40 0 KIABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000039762687 554280612 /nfs/dbraw/zinc/28/06/12/554280612.db2.gz WWQZGPPKFOYKME-UHFFFAOYSA-N 1 1 509.628 4.355 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000039986259 554281944 /nfs/dbraw/zinc/28/19/44/554281944.db2.gz UYDZMOLSDSRYQD-UHFFFAOYSA-N 1 1 535.710 4.338 40 0 KIABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039986864 554282170 /nfs/dbraw/zinc/28/21/70/554282170.db2.gz PPCSZEHKJDUBCK-UHFFFAOYSA-N 1 1 512.075 4.284 40 0 KIABMO COc1ccccc1COC[C@H]1C[N@H+]([C@@H](C)[C@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556049 554287427 /nfs/dbraw/zinc/28/74/27/554287427.db2.gz IIQBIPLUGYXCJX-AGAMXPQUSA-N 1 1 537.653 4.334 40 0 KIABMO COc1ccccc1COC[C@H]1C[N@@H+]([C@@H](C)[C@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556049 554287423 /nfs/dbraw/zinc/28/74/23/554287423.db2.gz IIQBIPLUGYXCJX-AGAMXPQUSA-N 1 1 537.653 4.334 40 0 KIABMO COc1ccccc1COC[C@H]1C[N@H+]([C@@H](C)[C@@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556051 554287319 /nfs/dbraw/zinc/28/73/19/554287319.db2.gz IIQBIPLUGYXCJX-UEAYBPRSSA-N 1 1 537.653 4.334 40 0 KIABMO COc1ccccc1COC[C@H]1C[N@@H+]([C@@H](C)[C@@H](O)c2ccc(O)cc2)C[C@@H](COCc2ccccc2OC)O1 ZINC000040556051 554287313 /nfs/dbraw/zinc/28/73/13/554287313.db2.gz IIQBIPLUGYXCJX-UEAYBPRSSA-N 1 1 537.653 4.334 40 0 KIABMO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000044791468 554302734 /nfs/dbraw/zinc/30/27/34/554302734.db2.gz MHJFFQCLTGXHNM-UHFFFAOYSA-N 1 1 528.074 4.048 40 0 KIABMO Cc1c(Cl)cccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000044791537 554302798 /nfs/dbraw/zinc/30/27/98/554302798.db2.gz OGQWRPQKIPRLNI-UHFFFAOYSA-N 1 1 512.075 4.348 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000044847536 554304742 /nfs/dbraw/zinc/30/47/42/554304742.db2.gz WUKSDJDGUBMZTA-UHFFFAOYSA-N 1 1 501.823 4.223 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000044884051 554307525 /nfs/dbraw/zinc/30/75/25/554307525.db2.gz NKNZXEJPYNPBON-UHFFFAOYSA-N 1 1 522.602 4.230 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000044899707 554308071 /nfs/dbraw/zinc/30/80/71/554308071.db2.gz UIWYZTAFUMUECV-UHFFFAOYSA-N 1 1 512.994 4.485 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000044900010 554308469 /nfs/dbraw/zinc/30/84/69/554308469.db2.gz MUIMIUWYGOMSTE-LJQANCHMSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000044900011 554308622 /nfs/dbraw/zinc/30/86/22/554308622.db2.gz MUIMIUWYGOMSTE-IBGZPJMESA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000044900413 554308545 /nfs/dbraw/zinc/30/85/45/554308545.db2.gz CKFZAILTWPELGR-LJQANCHMSA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000044900414 554308585 /nfs/dbraw/zinc/30/85/85/554308585.db2.gz CKFZAILTWPELGR-IBGZPJMESA-N 1 1 521.470 4.346 40 0 KIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 ZINC000044902315 554309213 /nfs/dbraw/zinc/30/92/13/554309213.db2.gz QNBFRGZPFQANQX-UHFFFAOYSA-N 1 1 501.823 4.223 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cccc(Cl)c2)cc1 ZINC000044947330 554310341 /nfs/dbraw/zinc/31/03/41/554310341.db2.gz CZKXVWXBKCMHLZ-UHFFFAOYSA-N 1 1 525.030 4.354 40 0 KIABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(C(F)(F)F)cc4)n3)ccn2)CC1 ZINC000049155016 554322793 /nfs/dbraw/zinc/32/27/93/554322793.db2.gz LFMHNPYCGXHELG-NRFANRHFSA-N 1 1 500.525 4.156 40 0 biogenic,in-vitro KIABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(C(F)(F)F)cc4)n3)ccn2)CC1 ZINC000049155016 554322790 /nfs/dbraw/zinc/32/27/90/554322790.db2.gz LFMHNPYCGXHELG-NRFANRHFSA-N 1 1 500.525 4.156 40 0 biogenic,in-vitro KIABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4cccc(OC(F)(F)F)c4)n3)ccn2)CC1 ZINC000049155042 554322873 /nfs/dbraw/zinc/32/28/73/554322873.db2.gz FQIXGUACWVJMAN-NRFANRHFSA-N 1 1 516.524 4.036 40 0 biogenic,in-vitro KIABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cccc(OC(F)(F)F)c4)n3)ccn2)CC1 ZINC000049155042 554322870 /nfs/dbraw/zinc/32/28/70/554322870.db2.gz FQIXGUACWVJMAN-NRFANRHFSA-N 1 1 516.524 4.036 40 0 biogenic,in-vitro KIABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc2nsnc2c1 ZINC000057312819 554353719 /nfs/dbraw/zinc/35/37/19/554353719.db2.gz KYHDXMIAGJBRDM-UHFFFAOYSA-N 1 1 506.632 4.279 40 0 KIABMO CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(OCC)c1OCC ZINC000059331811 554391384 /nfs/dbraw/zinc/39/13/84/554391384.db2.gz DWJQYTPNOLOLIT-UHFFFAOYSA-N 1 1 521.083 4.415 40 0 KIABMO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059522964 554404352 /nfs/dbraw/zinc/40/43/52/554404352.db2.gz OYFMJJHJEWKFTI-UHFFFAOYSA-N 1 1 541.055 4.023 40 0 KIABMO COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000059559094 554407107 /nfs/dbraw/zinc/40/71/07/554407107.db2.gz LPCCZERYHRMCPD-UHFFFAOYSA-N 1 1 508.619 4.292 40 0 KIABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000059559119 554407131 /nfs/dbraw/zinc/40/71/31/554407131.db2.gz AESPELDNXLOTJO-UHFFFAOYSA-N 1 1 506.603 4.046 40 0 KIABMO C[C@@H]1CCCC[N@H+]1C[C@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000059662015 554420413 /nfs/dbraw/zinc/42/04/13/554420413.db2.gz ZVUFQZOPMBJZNT-PIGZYNQJSA-N 1 1 525.168 4.352 40 0 KIABMO C[C@H]1CCCC[N@H+]1C[C@]1(C)COc2c(I)cc(I)cc2C1=O ZINC000059662020 554420436 /nfs/dbraw/zinc/42/04/36/554420436.db2.gz ZVUFQZOPMBJZNT-APPDUMDISA-N 1 1 525.168 4.352 40 0 KIABMO CC[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@@H+](C)[C@@H](CC)COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000059825013 554431822 /nfs/dbraw/zinc/43/18/22/554431822.db2.gz ZKSIPEYIAHUPNM-ZEQRLZLVSA-N 1 1 620.740 4.173 40 0 in-man KIABMO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059852359 554451047 /nfs/dbraw/zinc/45/10/47/554451047.db2.gz QJNRAECDWQZCAC-UHFFFAOYSA-N 1 1 534.638 4.018 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000059852760 554452704 /nfs/dbraw/zinc/45/27/04/554452704.db2.gz BQGCAKDXFRFZEP-UHFFFAOYSA-N 1 1 548.665 4.326 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000059923702 554473762 /nfs/dbraw/zinc/47/37/62/554473762.db2.gz SFQPQTLVBSIBAP-UHFFFAOYSA-N 1 1 534.638 4.018 40 0 KIABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059929233 554477472 /nfs/dbraw/zinc/47/74/72/554477472.db2.gz POLOYDUCZUGQOI-DEOSSOPVSA-N 1 1 532.493 4.227 40 0 KIABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059929239 554477567 /nfs/dbraw/zinc/47/75/67/554477567.db2.gz POLOYDUCZUGQOI-XMMPIXPASA-N 1 1 532.493 4.227 40 0 KIABMO CCN(c1cc(OC)c(OC)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(C)(=O)=O ZINC000059930451 554479902 /nfs/dbraw/zinc/47/99/02/554479902.db2.gz XRNLSXDOXCCWNA-UHFFFAOYSA-N 1 1 537.682 4.037 40 0 KIABMO CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059930456 554479929 /nfs/dbraw/zinc/47/99/29/554479929.db2.gz XDANAMLYZRUWJG-UHFFFAOYSA-N 1 1 537.682 4.037 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000060015885 554485800 /nfs/dbraw/zinc/48/58/00/554485800.db2.gz XGWFUCUTLDZIHB-UHFFFAOYSA-N 1 1 539.455 4.455 40 0 KIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000060015920 554485875 /nfs/dbraw/zinc/48/58/75/554485875.db2.gz LFQJBCHNVOHIPA-UHFFFAOYSA-N 1 1 539.455 4.455 40 0 KIABMO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060016476 554487566 /nfs/dbraw/zinc/48/75/66/554487566.db2.gz FWFBAUCRTJWLHV-UHFFFAOYSA-N 1 1 534.638 4.018 40 0 KIABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000060016506 554487830 /nfs/dbraw/zinc/48/78/30/554487830.db2.gz VRGXJLSZCFPHHT-UHFFFAOYSA-N 1 1 534.638 4.018 40 0 KIABMO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(C)cc2)cc1OC ZINC000060018646 554489929 /nfs/dbraw/zinc/48/99/29/554489929.db2.gz ZSEHCQLFLROLQG-UHFFFAOYSA-N 1 1 534.638 4.018 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000060028525 554493239 /nfs/dbraw/zinc/49/32/39/554493239.db2.gz KHTVOZRNCDOGFE-UHFFFAOYSA-N 1 1 564.664 4.108 40 0 KIABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000060042918 554497166 /nfs/dbraw/zinc/49/71/66/554497166.db2.gz ZYWDIXKOZWGPPM-UHFFFAOYSA-N 1 1 564.664 4.108 40 0 KIABMO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000064019599 554510308 /nfs/dbraw/zinc/51/03/08/554510308.db2.gz KDWDLAAEGRKSBO-OJJQZRKESA-N 1 1 513.937 4.223 40 0 KIABMO O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000064019599 554510304 /nfs/dbraw/zinc/51/03/04/554510304.db2.gz KDWDLAAEGRKSBO-OJJQZRKESA-N 1 1 513.937 4.223 40 0 KIABMO OC[C@@H]1O[C@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000067890382 554534990 /nfs/dbraw/zinc/53/49/90/554534990.db2.gz JDROVWUOIUFUBZ-IBHPWDLASA-N 1 1 591.621 4.297 40 0 biogenic,in-vitro KIABMO OC[C@@H]1O[C@H](C[NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O ZINC000067890385 554534938 /nfs/dbraw/zinc/53/49/38/554534938.db2.gz NEBLOKNXXUWCGM-IBHPWDLASA-N 1 1 574.524 4.446 40 0 biogenic,in-vitro KIABMO CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1 ZINC000072131098 553642265 /nfs/dbraw/zinc/64/22/65/553642265.db2.gz LGNQXYJOAQQMEH-RIVMDFSBSA-N 1 1 583.795 4.202 40 0 in-vitro KIABMO CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCC(N5CC[NH+](CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000095569677 553704805 /nfs/dbraw/zinc/70/48/05/553704805.db2.gz SXNJFOWDRLKDSF-ZRZZZMTFSA-N 1 1 618.827 4.267 40 0 in-vitro KIABMO C[C@@H](Oc1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096258164 562792828 /nfs/dbraw/zinc/79/28/28/562792828.db2.gz ONPGOSVDVDPBCY-CQSZACIVSA-N 1 1 547.418 4.285 40 0 investigational KIABMO C=CC[N+]1([C@H]2C[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)CCCC1 ZINC000097978420 717141931 /nfs/dbraw/zinc/14/19/31/717141931.db2.gz VTDXVFMLLBDIRR-NTWSACJYSA-N 1 1 529.786 4.408 40 0 KIABMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCc2nnc3n2c2ccccc2c(=O)n3Cc2ccc(F)cc2)CC1 ZINC000097986801 554025750 /nfs/dbraw/zinc/02/57/50/554025750.db2.gz PHNOKSNPZLTFNJ-UHFFFAOYSA-N 1 1 602.114 4.064 40 0 KIABMO Cc1ccc(Cn2c3nnc(CCC(=O)NCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)n3c3ccccc3c2=O)cc1 ZINC000097986851 554026238 /nfs/dbraw/zinc/02/62/38/554026238.db2.gz FKKJHFMLBVQXEU-UHFFFAOYSA-N 1 1 598.151 4.234 40 0 KIABMO Cc1ccc(Cn2c3nnc(CCC(=O)NCCC[N@@H+](Cc4ccco4)C(C)C)n3c3ccccc3c2=O)cc1 ZINC000097986852 554026290 /nfs/dbraw/zinc/02/62/90/554026290.db2.gz VICAEZCWOCJRPJ-UHFFFAOYSA-N 1 1 540.668 4.343 40 0 KIABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000100048258 554194074 /nfs/dbraw/zinc/19/40/74/554194074.db2.gz RLDNBCKSSVFZQC-UHFFFAOYSA-N 1 1 556.526 4.394 40 0 KIABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000100064964 554199539 /nfs/dbraw/zinc/19/95/39/554199539.db2.gz CZKCJJDLVCEVBS-VWLOTQADSA-N 1 1 551.684 4.169 40 0 KIABMO COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000100064967 554199528 /nfs/dbraw/zinc/19/95/28/554199528.db2.gz CZKCJJDLVCEVBS-RUZDIDTESA-N 1 1 551.684 4.169 40 0 KIABMO O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100067103 554200112 /nfs/dbraw/zinc/20/01/12/554200112.db2.gz LGSVXMNLFWXCLN-UHFFFAOYSA-N 1 1 535.735 4.497 40 0 KIABMO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CC[NH+](CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000100071772 554202037 /nfs/dbraw/zinc/20/20/37/554202037.db2.gz SXNJFOWDRLKDSF-FULLSBAXSA-N 1 1 618.827 4.267 40 0 investigational KIABMO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000100088450 554210031 /nfs/dbraw/zinc/21/00/31/554210031.db2.gz NEZSBYADIRNURI-UHFFFAOYSA-N 1 1 555.144 4.411 40 0 KIABMO COc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000100092768 554213163 /nfs/dbraw/zinc/21/31/63/554213163.db2.gz ZVCJIEQCCWRXJG-NRFANRHFSA-N 1 1 542.101 4.437 40 0 KIABMO COc1ccc(N([C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000100092771 554213131 /nfs/dbraw/zinc/21/31/31/554213131.db2.gz ZVCJIEQCCWRXJG-OAQYLSRUSA-N 1 1 542.101 4.437 40 0 KIABMO CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000100111419 554221777 /nfs/dbraw/zinc/22/17/77/554221777.db2.gz OAQIAMBVKDQYKD-UHFFFAOYSA-N 1 1 542.101 4.293 40 0 KIABMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000100146173 554230300 /nfs/dbraw/zinc/23/03/00/554230300.db2.gz HLZNWBUXPLHRAO-UHFFFAOYSA-N 1 1 542.499 4.003 40 0 KIABMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100155328 554232511 /nfs/dbraw/zinc/23/25/11/554232511.db2.gz MTPUJNZZLHPBTA-SFHVURJKSA-N 1 1 517.392 4.412 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369461 554355579 /nfs/dbraw/zinc/35/55/79/554355579.db2.gz LNZVZCWSDLYUMC-AHWVRZQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369461 554355578 /nfs/dbraw/zinc/35/55/78/554355578.db2.gz LNZVZCWSDLYUMC-AHWVRZQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369463 554355499 /nfs/dbraw/zinc/35/54/99/554355499.db2.gz LNZVZCWSDLYUMC-AZGAKELHSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369463 554355498 /nfs/dbraw/zinc/35/54/98/554355498.db2.gz LNZVZCWSDLYUMC-AZGAKELHSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369467 554355543 /nfs/dbraw/zinc/35/55/43/554355543.db2.gz LNZVZCWSDLYUMC-RSXGOPAZSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369467 554355541 /nfs/dbraw/zinc/35/55/41/554355541.db2.gz LNZVZCWSDLYUMC-RSXGOPAZSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369471 554355574 /nfs/dbraw/zinc/35/55/74/554355574.db2.gz LNZVZCWSDLYUMC-AOYPEHQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100369471 554355572 /nfs/dbraw/zinc/35/55/72/554355572.db2.gz LNZVZCWSDLYUMC-AOYPEHQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370967 554356527 /nfs/dbraw/zinc/35/65/27/554356527.db2.gz ODBXUYZEZMOQTG-VWLOTQADSA-N 1 1 588.665 4.386 40 0 KIABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370967 554356522 /nfs/dbraw/zinc/35/65/22/554356522.db2.gz ODBXUYZEZMOQTG-VWLOTQADSA-N 1 1 588.665 4.386 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370971 554356537 /nfs/dbraw/zinc/35/65/37/554356537.db2.gz ODBXUYZEZMOQTG-RUZDIDTESA-N 1 1 588.665 4.386 40 0 KIABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370971 554356534 /nfs/dbraw/zinc/35/65/34/554356534.db2.gz ODBXUYZEZMOQTG-RUZDIDTESA-N 1 1 588.665 4.386 40 0 KIABMO CC[C@@H](c1nnnn1CCc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371467 554356903 /nfs/dbraw/zinc/35/69/03/554356903.db2.gz WUBRRUXFAICTQZ-LJAQVGFWSA-N 1 1 543.716 4.050 40 0 KIABMO CC[C@H](c1nnnn1CCc1ccccc1)N(CCC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371471 554356893 /nfs/dbraw/zinc/35/68/93/554356893.db2.gz WUBRRUXFAICTQZ-GDLZYMKVSA-N 1 1 543.716 4.050 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377242 554360247 /nfs/dbraw/zinc/36/02/47/554360247.db2.gz XRGYQMNCJYUENN-DQEYMECFSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377242 554360245 /nfs/dbraw/zinc/36/02/45/554360245.db2.gz XRGYQMNCJYUENN-DQEYMECFSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377245 554360385 /nfs/dbraw/zinc/36/03/85/554360385.db2.gz XRGYQMNCJYUENN-LOSJGSFVSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377245 554360383 /nfs/dbraw/zinc/36/03/83/554360383.db2.gz XRGYQMNCJYUENN-LOSJGSFVSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377249 554360282 /nfs/dbraw/zinc/36/02/82/554360282.db2.gz XRGYQMNCJYUENN-RPBOFIJWSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377249 554360281 /nfs/dbraw/zinc/36/02/81/554360281.db2.gz XRGYQMNCJYUENN-RPBOFIJWSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377252 554360369 /nfs/dbraw/zinc/36/03/69/554360369.db2.gz XRGYQMNCJYUENN-JWQCQUIFSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100377252 554360368 /nfs/dbraw/zinc/36/03/68/554360368.db2.gz XRGYQMNCJYUENN-JWQCQUIFSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377315 554360319 /nfs/dbraw/zinc/36/03/19/554360319.db2.gz XTKOVGIRWJGNHA-AHWVRZQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377315 554360317 /nfs/dbraw/zinc/36/03/17/554360317.db2.gz XTKOVGIRWJGNHA-AHWVRZQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377321 554360290 /nfs/dbraw/zinc/36/02/90/554360290.db2.gz XTKOVGIRWJGNHA-AZGAKELHSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377321 554360288 /nfs/dbraw/zinc/36/02/88/554360288.db2.gz XTKOVGIRWJGNHA-AZGAKELHSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377325 554360619 /nfs/dbraw/zinc/36/06/19/554360619.db2.gz XTKOVGIRWJGNHA-RSXGOPAZSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377325 554360617 /nfs/dbraw/zinc/36/06/17/554360617.db2.gz XTKOVGIRWJGNHA-RSXGOPAZSA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377329 554360607 /nfs/dbraw/zinc/36/06/07/554360607.db2.gz XTKOVGIRWJGNHA-AOYPEHQESA-N 1 1 546.672 4.215 40 0 KIABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100377329 554360606 /nfs/dbraw/zinc/36/06/06/554360606.db2.gz XTKOVGIRWJGNHA-AOYPEHQESA-N 1 1 546.672 4.215 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100377431 554360624 /nfs/dbraw/zinc/36/06/24/554360624.db2.gz RHOZHLHNKWSVSU-BDYUSTAISA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100377431 554360622 /nfs/dbraw/zinc/36/06/22/554360622.db2.gz RHOZHLHNKWSVSU-BDYUSTAISA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100377437 554360595 /nfs/dbraw/zinc/36/05/95/554360595.db2.gz RHOZHLHNKWSVSU-AHKZPQOWSA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100377437 554360594 /nfs/dbraw/zinc/36/05/94/554360594.db2.gz RHOZHLHNKWSVSU-AHKZPQOWSA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100377442 554360604 /nfs/dbraw/zinc/36/06/04/554360604.db2.gz RHOZHLHNKWSVSU-VPUSJEBWSA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100377442 554360603 /nfs/dbraw/zinc/36/06/03/554360603.db2.gz RHOZHLHNKWSVSU-VPUSJEBWSA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100377446 554360685 /nfs/dbraw/zinc/36/06/85/554360685.db2.gz RHOZHLHNKWSVSU-XNMGPUDCSA-N 1 1 576.698 4.306 40 0 KIABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100377446 554360681 /nfs/dbraw/zinc/36/06/81/554360681.db2.gz RHOZHLHNKWSVSU-XNMGPUDCSA-N 1 1 576.698 4.306 40 0 KIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2Cl)CC1 ZINC000100379709 554361990 /nfs/dbraw/zinc/36/19/90/554361990.db2.gz RWWFFSLFTYRLAJ-UHFFFAOYSA-N 1 1 528.847 4.213 40 0 KIABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(I)c3)cc2Cl)CC1 ZINC000100381660 554363531 /nfs/dbraw/zinc/36/35/31/554363531.db2.gz FMFYGWGMDITTSY-UHFFFAOYSA-N 1 1 528.847 4.213 40 0 KIABMO C[C@]12C[N@@H+](CCC(=O)c3ccc(F)cc3)C[C@H]1C(=O)N(CCC(=O)c1ccc(F)cc1)c1ccccc1C(=O)N2 ZINC000100492619 554403041 /nfs/dbraw/zinc/40/30/41/554403041.db2.gz MSBWPRUUDFOONS-FKAPRUDGSA-N 1 1 545.586 4.278 40 0 KIABMO C[C@]12C[N@H+](CCC(=O)c3ccc(F)cc3)C[C@H]1C(=O)N(CCC(=O)c1ccc(F)cc1)c1ccccc1C(=O)N2 ZINC000100492619 554403039 /nfs/dbraw/zinc/40/30/39/554403039.db2.gz MSBWPRUUDFOONS-FKAPRUDGSA-N 1 1 545.586 4.278 40 0 KIABMO COc1ccc(C[NH+]2CCC[C@@H](c3cc4nc5c(c(=O)n4[n-]3)C[N@@H+](Cc3ccc(OC)cc3)CC5)C2)cc1 ZINC000100493034 554403339 /nfs/dbraw/zinc/40/33/39/554403339.db2.gz UYKOCSQVKHWYIV-HSZRJFAPSA-N 1 1 513.642 4.390 40 0 KIABMO COc1ccc(C[NH+]2CCC[C@@H](c3cc4nc5c(c(=O)n4[n-]3)C[N@H+](Cc3ccc(OC)cc3)CC5)C2)cc1 ZINC000100493034 554403334 /nfs/dbraw/zinc/40/33/34/554403334.db2.gz UYKOCSQVKHWYIV-HSZRJFAPSA-N 1 1 513.642 4.390 40 0 KIABMO COc1ccc(C[NH+]2CCc3nc4cc([C@@H]5CCC[N@H+](Cc6ccc(OC)cc6)C5)[n-]n4c(=O)c3C2)cc1 ZINC000100493034 554403330 /nfs/dbraw/zinc/40/33/30/554403330.db2.gz UYKOCSQVKHWYIV-HSZRJFAPSA-N 1 1 513.642 4.390 40 0 KIABMO COc1ccc(C[NH+]2CCC[C@H](c3cc4nc5c(c(=O)n4[n-]3)C[N@@H+](Cc3ccc(OC)cc3)CC5)C2)cc1 ZINC000100493035 554403612 /nfs/dbraw/zinc/40/36/12/554403612.db2.gz UYKOCSQVKHWYIV-QHCPKHFHSA-N 1 1 513.642 4.390 40 0 KIABMO COc1ccc(C[NH+]2CCC[C@H](c3cc4nc5c(c(=O)n4[n-]3)C[N@H+](Cc3ccc(OC)cc3)CC5)C2)cc1 ZINC000100493035 554403609 /nfs/dbraw/zinc/40/36/09/554403609.db2.gz UYKOCSQVKHWYIV-QHCPKHFHSA-N 1 1 513.642 4.390 40 0 KIABMO COc1ccc(C[NH+]2CCc3nc4cc([C@H]5CCC[N@H+](Cc6ccc(OC)cc6)C5)[n-]n4c(=O)c3C2)cc1 ZINC000100493035 554403607 /nfs/dbraw/zinc/40/36/07/554403607.db2.gz UYKOCSQVKHWYIV-QHCPKHFHSA-N 1 1 513.642 4.390 40 0 KIABMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1 ZINC000100942910 554533146 /nfs/dbraw/zinc/53/31/46/554533146.db2.gz UJTUNOFCNDEWMZ-FAJYDZGRSA-N 1 1 535.648 4.149 40 0 KIABMO Cc1cccc(N2CC[NH+](CCNC(=O)CCc3nnc4n3c3ccccc3c(=O)n4Cc3ccc(Cl)cc3)CC2)c1C ZINC000101022860 554562238 /nfs/dbraw/zinc/56/22/38/554562238.db2.gz GBNSXABCYXKPOD-UHFFFAOYSA-N 1 1 598.151 4.234 40 0 KIABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000101075550 554577264 /nfs/dbraw/zinc/57/72/64/554577264.db2.gz UESHXNRWRJTVSH-UHFFFAOYSA-N 1 1 542.499 4.149 40 0 KIABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000101075574 554577272 /nfs/dbraw/zinc/57/72/72/554577272.db2.gz SBVOADSINRDKSS-UHFFFAOYSA-N 1 1 542.499 4.297 40 0 KIABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(Br)c1 ZINC000101103888 554639363 /nfs/dbraw/zinc/63/93/63/554639363.db2.gz XPXBHVBMHZOVHP-UHFFFAOYSA-N 1 1 542.499 4.149 40 0 KIABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cccc(Br)c2)cc1 ZINC000101103919 554639345 /nfs/dbraw/zinc/63/93/45/554639345.db2.gz YNUPWCCPYFLYQU-UHFFFAOYSA-N 1 1 542.499 4.297 40 0 KIABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000102730905 555023552 /nfs/dbraw/zinc/02/35/52/555023552.db2.gz DZKALCFANBYTFH-HHHXNRCGSA-N 1 1 535.644 4.160 40 0 KIABMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000102730910 555023543 /nfs/dbraw/zinc/02/35/43/555023543.db2.gz DZKALCFANBYTFH-MHZLTWQESA-N 1 1 535.644 4.160 40 0 KIABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507514 555421444 /nfs/dbraw/zinc/42/14/44/555421444.db2.gz HWDPFJYBEWFTIK-FIXDAVPBSA-N 1 1 503.908 4.204 40 0 KIABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507518 555421485 /nfs/dbraw/zinc/42/14/85/555421485.db2.gz HWDPFJYBEWFTIK-DBYOASNMSA-N 1 1 503.908 4.204 40 0 KIABMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000103529180 555429580 /nfs/dbraw/zinc/42/95/80/555429580.db2.gz UTQFEYHQIFMLLP-LCXPBEPZSA-N 1 1 567.642 4.289 40 0 KIABMO 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/nfs/dbraw/zinc/31/21/02/572312102.db2.gz LCXFYPBCCAPDLK-GDLZYMKVSA-N 1 1 587.504 4.411 40 0 KIABMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCO[C@@](COc2cccc(Cl)c2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257260454 572312117 /nfs/dbraw/zinc/31/21/17/572312117.db2.gz LCXFYPBCCAPDLK-LJAQVGFWSA-N 1 1 587.504 4.411 40 0 KIABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(C(=O)c3ccccc3F)CC2)ccc1Cl ZINC000257262955 572312343 /nfs/dbraw/zinc/31/23/43/572312343.db2.gz LNTRBSMUDDKGGA-UHFFFAOYSA-N 1 1 502.030 4.253 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000257264247 572312410 /nfs/dbraw/zinc/31/24/10/572312410.db2.gz LTORDTLJUBUKEE-RUZDIDTESA-N 1 1 540.513 4.007 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccccc3)CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000257264248 572312460 /nfs/dbraw/zinc/31/24/60/572312460.db2.gz LTORDTLJUBUKEE-VWLOTQADSA-N 1 1 540.513 4.007 40 0 KIABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(C(=O)c3c(F)cccc3F)CC2)ccc1Cl ZINC000257266406 572312553 /nfs/dbraw/zinc/31/25/53/572312553.db2.gz MCXCEJGROCMAHS-UHFFFAOYSA-N 1 1 520.020 4.392 40 0 KIABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000257268404 572312705 /nfs/dbraw/zinc/31/27/05/572312705.db2.gz MLNPSAQJRXNXQJ-UHFFFAOYSA-N 1 1 532.454 4.054 40 0 KIABMO CCCn1ncc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C ZINC000257268853 572312830 /nfs/dbraw/zinc/31/28/30/572312830.db2.gz MNMWFVQJMYDMFG-MUUNZHRXSA-N 1 1 516.130 4.389 40 0 KIABMO CCCn1ncc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C ZINC000257268854 572312785 /nfs/dbraw/zinc/31/27/85/572312785.db2.gz MNMWFVQJMYDMFG-NDEPHWFRSA-N 1 1 516.130 4.389 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)CC1 ZINC000257270613 572312956 /nfs/dbraw/zinc/31/29/56/572312956.db2.gz MUYHGVJMXFOGQF-RUZDIDTESA-N 1 1 558.503 4.147 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)C2)CC1 ZINC000257270614 572312935 /nfs/dbraw/zinc/31/29/35/572312935.db2.gz MUYHGVJMXFOGQF-VWLOTQADSA-N 1 1 558.503 4.147 40 0 KIABMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000257271183 572312982 /nfs/dbraw/zinc/31/29/82/572312982.db2.gz MXELBCWAAJCZGK-HHHXNRCGSA-N 1 1 600.565 4.025 40 0 KIABMO COc1cc(OC)c(S(=O)(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000257271184 572312946 /nfs/dbraw/zinc/31/29/46/572312946.db2.gz MXELBCWAAJCZGK-MHZLTWQESA-N 1 1 600.565 4.025 40 0 KIABMO COc1cc(OC)c(S(=O)(=O)N2CCC(COc3ccc(Cl)c(C)c3)(CC(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000257271538 572312973 /nfs/dbraw/zinc/31/29/73/572312973.db2.gz MYSOPWSQQAXRGF-UHFFFAOYSA-N 1 1 614.592 4.333 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257273102 572313231 /nfs/dbraw/zinc/31/32/31/572313231.db2.gz NFGWDHNEIFPXIH-AREMUKBSSA-N 1 1 505.993 4.084 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccc(F)cc3F)C2)CC1 ZINC000257273103 572313192 /nfs/dbraw/zinc/31/31/92/572313192.db2.gz NFGWDHNEIFPXIH-SANMLTNESA-N 1 1 505.993 4.084 40 0 KIABMO CCc1nc(C)c(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257275484 572313396 /nfs/dbraw/zinc/31/33/96/572313396.db2.gz NPPIGDVTQMVEAA-HHHXNRCGSA-N 1 1 502.103 4.068 40 0 KIABMO CCc1nc(C)c(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)[nH]1 ZINC000257275485 572313365 /nfs/dbraw/zinc/31/33/65/572313365.db2.gz NPPIGDVTQMVEAA-MHZLTWQESA-N 1 1 502.103 4.068 40 0 KIABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC000257277532 572313511 /nfs/dbraw/zinc/31/35/11/572313511.db2.gz NYHNSKDKTGVQCN-UHFFFAOYSA-N 1 1 505.993 4.084 40 0 KIABMO Cc1onc(C(C)C)c1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257278155 572313659 /nfs/dbraw/zinc/31/36/59/572313659.db2.gz OBAWUDUCMXLXBT-UHFFFAOYSA-N 1 1 517.070 4.225 40 0 KIABMO CCn1nc(C(C)C)cc1C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257279248 572313780 /nfs/dbraw/zinc/31/37/80/572313780.db2.gz OFTAKPRNOKPQKP-UHFFFAOYSA-N 1 1 530.113 4.145 40 0 KIABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000257280482 572313782 /nfs/dbraw/zinc/31/37/82/572313782.db2.gz OLBCWKNPTRJMDT-UHFFFAOYSA-N 1 1 558.503 4.147 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257281140 572313891 /nfs/dbraw/zinc/31/38/91/572313891.db2.gz ONVASRBNRYTQRR-CVDCTZTESA-N 1 1 523.983 4.433 40 0 KIABMO Cn1cc(C(=O)N2CCC[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257282247 572314007 /nfs/dbraw/zinc/31/40/07/572314007.db2.gz OTABXGGNNIHZQW-GDLZYMKVSA-N 1 1 523.077 4.297 40 0 KIABMO Cn1cc(C(=O)N2CCC[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000257282248 572314030 /nfs/dbraw/zinc/31/40/30/572314030.db2.gz OTABXGGNNIHZQW-LJAQVGFWSA-N 1 1 523.077 4.297 40 0 KIABMO CCCn1cc(Cl)c(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000257284177 572314288 /nfs/dbraw/zinc/31/42/88/572314288.db2.gz PBNCIZYRIXATJY-UHFFFAOYSA-N 1 1 536.504 4.065 40 0 KIABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1Cl ZINC000257286406 572314643 /nfs/dbraw/zinc/31/46/43/572314643.db2.gz PLNAIYYHGOZHFN-UHFFFAOYSA-N 1 1 520.020 4.392 40 0 KIABMO COc1ccccc1C(=O)N1CCC(COc2ccc(Cl)c(C)c2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257288756 572314772 /nfs/dbraw/zinc/31/47/72/572314772.db2.gz PVMAFFTYFQYIGF-UHFFFAOYSA-N 1 1 514.066 4.123 40 0 KIABMO C[NH+]1CCN(C(=O)CC2(COc3cccc(Cl)c3)CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000257291015 572314986 /nfs/dbraw/zinc/31/49/86/572314986.db2.gz QFFXCCQNJVQFRH-UHFFFAOYSA-N 1 1 504.458 4.459 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000257295446 572315413 /nfs/dbraw/zinc/31/54/13/572315413.db2.gz QYHQADIRJXHIOL-AREMUKBSSA-N 1 1 521.555 4.310 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000257295447 572315405 /nfs/dbraw/zinc/31/54/05/572315405.db2.gz QYHQADIRJXHIOL-SANMLTNESA-N 1 1 521.555 4.310 40 0 KIABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000257295479 572315366 /nfs/dbraw/zinc/31/53/66/572315366.db2.gz QYLIKEKKLQJDBR-UHFFFAOYSA-N 1 1 503.565 4.171 40 0 KIABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C2)ccc1Cl ZINC000257299683 572315818 /nfs/dbraw/zinc/31/58/18/572315818.db2.gz RRBMVBVOQCBCLC-GDLZYMKVSA-N 1 1 542.124 4.339 40 0 KIABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnc(N4CCCCC4)nc3)C2)ccc1Cl ZINC000257299683 572315816 /nfs/dbraw/zinc/31/58/16/572315816.db2.gz RRBMVBVOQCBCLC-GDLZYMKVSA-N 1 1 542.124 4.339 40 0 KIABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C2)ccc1Cl ZINC000257299684 572315788 /nfs/dbraw/zinc/31/57/88/572315788.db2.gz RRBMVBVOQCBCLC-LJAQVGFWSA-N 1 1 542.124 4.339 40 0 KIABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnc(N4CCCCC4)nc3)C2)ccc1Cl ZINC000257299684 572315786 /nfs/dbraw/zinc/31/57/86/572315786.db2.gz RRBMVBVOQCBCLC-LJAQVGFWSA-N 1 1 542.124 4.339 40 0 KIABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnc(C(C)C)nc3)C2)ccc1Cl ZINC000257299811 572315783 /nfs/dbraw/zinc/31/57/83/572315783.db2.gz RRRGXXRFSAVAIB-HHHXNRCGSA-N 1 1 501.071 4.472 40 0 KIABMO Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cnc(C(C)C)nc3)C2)ccc1Cl ZINC000257299811 572315781 /nfs/dbraw/zinc/31/57/81/572315781.db2.gz RRRGXXRFSAVAIB-HHHXNRCGSA-N 1 1 501.071 4.472 40 0 KIABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@H+](Cc3cnc(C(C)C)nc3)C2)ccc1Cl ZINC000257299812 572315777 /nfs/dbraw/zinc/31/57/77/572315777.db2.gz RRRGXXRFSAVAIB-MHZLTWQESA-N 1 1 501.071 4.472 40 0 KIABMO Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCC[N@@H+](Cc3cnc(C(C)C)nc3)C2)ccc1Cl ZINC000257299812 572315775 /nfs/dbraw/zinc/31/57/75/572315775.db2.gz RRRGXXRFSAVAIB-MHZLTWQESA-N 1 1 501.071 4.472 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3cccn3-c3ccccc3Cl)CCO2)CC1 ZINC000257301342 572315891 /nfs/dbraw/zinc/31/58/91/572315891.db2.gz RYBMBFLRXNPUMK-GDLZYMKVSA-N 1 1 541.067 4.084 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3cccn3-c3ccccc3Cl)CCO2)CC1 ZINC000257301343 572315879 /nfs/dbraw/zinc/31/58/79/572315879.db2.gz RYBMBFLRXNPUMK-LJAQVGFWSA-N 1 1 541.067 4.084 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257301404 572315917 /nfs/dbraw/zinc/31/59/17/572315917.db2.gz RYHZOTQMAWBAAN-MBSDFSHPSA-N 1 1 552.872 4.315 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000257304160 572316127 /nfs/dbraw/zinc/31/61/27/572316127.db2.gz SKHIJOLDWBVYDX-AREMUKBSSA-N 1 1 521.555 4.310 40 0 KIABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000257304161 572316167 /nfs/dbraw/zinc/31/61/67/572316167.db2.gz SKHIJOLDWBVYDX-SANMLTNESA-N 1 1 521.555 4.310 40 0 KIABMO CCCn1ncc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)c1C ZINC000257306452 572316440 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/nfs/dbraw/zinc/80/10/80/571801080.db2.gz KQCMQCDBLHBPLS-GDLZYMKVSA-N 1 1 563.720 4.089 40 0 KIABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260888449 571801088 /nfs/dbraw/zinc/80/10/88/571801088.db2.gz OBWPOKREMZXCJA-SSEXGKCCSA-N 1 1 577.747 4.397 40 0 KIABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260888487 571801524 /nfs/dbraw/zinc/80/15/24/571801524.db2.gz OVBOIMGTQRJQSF-SSEXGKCCSA-N 1 1 593.746 4.098 40 0 KIABMO Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260892746 571809235 /nfs/dbraw/zinc/80/92/35/571809235.db2.gz FMNXRBVPMRHJGD-SSEXGKCCSA-N 1 1 577.747 4.397 40 0 KIABMO CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)O2 ZINC000260897324 571816007 /nfs/dbraw/zinc/81/60/07/571816007.db2.gz LGDVFVUZEWXKQC-GDLZYMKVSA-N 1 1 563.720 4.089 40 0 KIABMO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000260902852 571826754 /nfs/dbraw/zinc/82/67/54/571826754.db2.gz XCCDMFMXWHTSHW-SSEXGKCCSA-N 1 1 593.746 4.098 40 0 KIABMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408531390 572175419 /nfs/dbraw/zinc/17/54/19/572175419.db2.gz MXEGPMVZNHYABJ-AREMUKBSSA-N 1 1 503.668 4.021 40 0 KIABMO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408531399 572175491 /nfs/dbraw/zinc/17/54/91/572175491.db2.gz MXEGPMVZNHYABJ-SANMLTNESA-N 1 1 503.668 4.021 40 0 KIABMO Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408531409 572175623 /nfs/dbraw/zinc/17/56/23/572175623.db2.gz MYEDLULWVDPFHA-UHFFFAOYSA-N 1 1 533.694 4.092 40 0 KIABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408553771 572241167 /nfs/dbraw/zinc/24/11/67/572241167.db2.gz BDWYNMAATSFZCP-UHFFFAOYSA-N 1 1 521.683 4.078 40 0 KIABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000408555719 572243224 /nfs/dbraw/zinc/24/32/24/572243224.db2.gz HJTXLRDPIRMNPT-UHFFFAOYSA-N 1 1 528.074 4.197 40 0 KIABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000408555811 572243178 /nfs/dbraw/zinc/24/31/78/572243178.db2.gz GMXHULDZZFHANF-UHFFFAOYSA-N 1 1 542.101 4.341 40 0 KIABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1OC ZINC000408556858 572244337 /nfs/dbraw/zinc/24/43/37/572244337.db2.gz DZVKYILWHGSQSS-AREMUKBSSA-N 1 1 563.720 4.038 40 0 KIABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1OC ZINC000408556859 572244310 /nfs/dbraw/zinc/24/43/10/572244310.db2.gz DZVKYILWHGSQSS-SANMLTNESA-N 1 1 563.720 4.038 40 0 KIABMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000408558904 572246129 /nfs/dbraw/zinc/24/61/29/572246129.db2.gz KNPAUHKQPKTYOD-HHHXNRCGSA-N 1 1 547.721 4.420 40 0 KIABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1 ZINC000408558912 572246367 /nfs/dbraw/zinc/24/63/67/572246367.db2.gz KNPAUHKQPKTYOD-MHZLTWQESA-N 1 1 547.721 4.420 40 0 KIABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000408560421 572247466 /nfs/dbraw/zinc/24/74/66/572247466.db2.gz OYEHDSWILRHJRG-AREMUKBSSA-N 1 1 563.720 4.038 40 0 KIABMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c1 ZINC000408560425 572247419 /nfs/dbraw/zinc/24/74/19/572247419.db2.gz OYEHDSWILRHJRG-SANMLTNESA-N 1 1 563.720 4.038 40 0 KIABMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000408562014 572248718 /nfs/dbraw/zinc/24/87/18/572248718.db2.gz WZCIYERUJZQLLC-UHFFFAOYSA-N 1 1 547.721 4.420 40 0 KIABMO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408587543 572266593 /nfs/dbraw/zinc/26/65/93/572266593.db2.gz DVCSLJZRGPEXEF-UHFFFAOYSA-N 1 1 540.085 4.205 40 0 KIABMO C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408590043 572267599 /nfs/dbraw/zinc/26/75/99/572267599.db2.gz GUISCTVGEJMYQU-HSZRJFAPSA-N 1 1 513.663 4.440 40 0 KIABMO C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408590049 572267584 /nfs/dbraw/zinc/26/75/84/572267584.db2.gz GUISCTVGEJMYQU-QHCPKHFHSA-N 1 1 513.663 4.440 40 0 KIABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408591576 572268242 /nfs/dbraw/zinc/26/82/42/572268242.db2.gz JQCNIIPFAPDRGC-UHFFFAOYSA-N 1 1 558.100 4.205 40 0 KIABMO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408597363 572271567 /nfs/dbraw/zinc/27/15/67/572271567.db2.gz YWAUKJLEEKWMDI-UHFFFAOYSA-N 1 1 547.721 4.482 40 0 KIABMO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408615148 572278099 /nfs/dbraw/zinc/27/80/99/572278099.db2.gz MOLIXSPMHXXQDV-UHFFFAOYSA-N 1 1 542.101 4.496 40 0 KIABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408616508 572278887 /nfs/dbraw/zinc/27/88/87/572278887.db2.gz ACSWDWDIQKOKGE-NRFANRHFSA-N 1 1 542.101 4.339 40 0 KIABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408616512 572278831 /nfs/dbraw/zinc/27/88/31/572278831.db2.gz ACSWDWDIQKOKGE-OAQYLSRUSA-N 1 1 542.101 4.339 40 0 KIABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408617906 572279694 /nfs/dbraw/zinc/27/96/94/572279694.db2.gz FCDWCUBMULUCEG-UHFFFAOYSA-N 1 1 521.683 4.030 40 0 KIABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(Br)cc1 ZINC000408621767 572281708 /nfs/dbraw/zinc/28/17/08/572281708.db2.gz OBCSDRJRAXTOJT-UHFFFAOYSA-N 1 1 556.526 4.145 40 0 KIABMO CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)CC1 ZINC000408622908 572282369 /nfs/dbraw/zinc/28/23/69/572282369.db2.gz OBXCFCBEMJLHEX-UHFFFAOYSA-N 1 1 547.721 4.420 40 0 KIABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408636336 572293275 /nfs/dbraw/zinc/29/32/75/572293275.db2.gz OMJRFZXFDXVDGQ-UHFFFAOYSA-N 1 1 544.073 4.263 40 0 KIABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c2)cc1C ZINC000408675335 572317892 /nfs/dbraw/zinc/31/78/92/572317892.db2.gz WATJNPTWVWRDAR-UHFFFAOYSA-N 1 1 507.656 4.136 40 0 KIABMO Cc1cccc(N(CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000408677203 572319013 /nfs/dbraw/zinc/31/90/13/572319013.db2.gz BAATXSYCNLIKMC-UHFFFAOYSA-N 1 1 505.684 4.475 40 0 KIABMO O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408678108 572319525 /nfs/dbraw/zinc/31/95/25/572319525.db2.gz FRIGFIMPRXQZFR-UHFFFAOYSA-N 1 1 535.685 4.301 40 0 KIABMO O=C(C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408678272 572319724 /nfs/dbraw/zinc/31/97/24/572319724.db2.gz DUYVXDWBYJVOLT-UHFFFAOYSA-N 1 1 535.685 4.301 40 0 KIABMO Cc1ccc(N(CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000408679769 572320765 /nfs/dbraw/zinc/32/07/65/572320765.db2.gz LBTAGAOVHMKZCY-UHFFFAOYSA-N 1 1 505.684 4.475 40 0 KIABMO