smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1nc([C@@H]2CCC[N@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2 ZINC000019710473 556873481 /nfs/dbraw/zinc/87/34/81/556873481.db2.gz LSPCYEBZLBWHDF-HXUWFJFHSA-N 2 1 436.604 2.781 40 0 IFABMP CNc1nc([C@@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2 ZINC000019710473 556873483 /nfs/dbraw/zinc/87/34/83/556873483.db2.gz LSPCYEBZLBWHDF-HXUWFJFHSA-N 2 1 436.604 2.781 40 0 IFABMP CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000096036483 557163488 /nfs/dbraw/zinc/16/34/88/557163488.db2.gz URYBJFSPBHKFKM-RUZDIDTESA-N 2 1 426.605 2.645 40 0 IFABMP Cc1cccc(C[N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC[NH+](C)C)[C@H]3CC2)c1 ZINC000096145916 557176054 /nfs/dbraw/zinc/17/60/54/557176054.db2.gz WAFCDMAVHPILJJ-VXKWHMMOSA-N 2 1 443.613 2.973 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585283037 557222308 /nfs/dbraw/zinc/22/23/08/557222308.db2.gz OVMBHSYFBNEJQG-GOTSBHOMSA-N 2 1 434.964 2.657 40 0 IFABMP COc1cccc(C[N@H+]2CCC[C@@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699736 569230712 /nfs/dbraw/zinc/23/07/12/569230712.db2.gz FBDXXVCLTIQKEL-HXUWFJFHSA-N 2 1 428.577 2.906 40 0 IFABMP COc1cccc(C[N@H+]2CCC[C@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699737 569230755 /nfs/dbraw/zinc/23/07/55/569230755.db2.gz FBDXXVCLTIQKEL-FQEVSTJZSA-N 2 1 428.577 2.906 40 0 IFABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000019080883 556695800 /nfs/dbraw/zinc/69/58/00/556695800.db2.gz IWRBDSYVHNRBMV-CRAIPNDOSA-N 2 1 440.510 2.940 40 0 IFABMP CN(C)c1ncc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587765 556824099 /nfs/dbraw/zinc/82/40/99/556824099.db2.gz ULLRGPLSFQEWMZ-DENIHFKCSA-N 2 1 440.567 2.853 40 0 IFABMP CNc1nc([C@H]2CCC[N@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2 ZINC000019710474 556873492 /nfs/dbraw/zinc/87/34/92/556873492.db2.gz LSPCYEBZLBWHDF-FQEVSTJZSA-N 2 1 436.604 2.781 40 0 IFABMP CNc1nc([C@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2 ZINC000019710474 556873494 /nfs/dbraw/zinc/87/34/94/556873494.db2.gz LSPCYEBZLBWHDF-FQEVSTJZSA-N 2 1 436.604 2.781 40 0 IFABMP Cc1cc(N2CC[C@](O)(C[N@@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)ncn1 ZINC000585274666 568618368 /nfs/dbraw/zinc/61/83/68/568618368.db2.gz ZGZSXLMLPYWSJH-VWLOTQADSA-N 2 1 439.604 2.723 40 0 IFABMP CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)[NH3+] ZINC000019449784 556760765 /nfs/dbraw/zinc/76/07/65/556760765.db2.gz NDFFDCQDPHAPKQ-HRISUVKJSA-N 2 1 448.611 2.780 40 0 IFABMP CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C2 ZINC000019710909 556874839 /nfs/dbraw/zinc/87/48/39/556874839.db2.gz WOSFIEZZROZPEI-FQEVSTJZSA-N 2 1 442.995 2.826 40 0 IFABMP Cc1ccc(C[N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC[NH+](C)C)[C@H]3CC2)cc1 ZINC000096145917 557176075 /nfs/dbraw/zinc/17/60/75/557176075.db2.gz AXVYRRAEIGHYHL-VXKWHMMOSA-N 2 1 443.613 2.973 40 0 IFABMP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCC[NH+](C)C ZINC000585273940 557217961 /nfs/dbraw/zinc/21/79/61/557217961.db2.gz UBFXWDOZAJNEHU-DEOSSOPVSA-N 2 1 446.567 2.633 40 0 IFABMP O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585280662 557220378 /nfs/dbraw/zinc/22/03/78/557220378.db2.gz QTAHTOLUGBPSCF-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585280662 557220382 /nfs/dbraw/zinc/22/03/82/557220382.db2.gz QTAHTOLUGBPSCF-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP Cc1cccc(OC[C@@]2(O)C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC[C@@H]2O)c1 ZINC000585282043 557221166 /nfs/dbraw/zinc/22/11/66/557221166.db2.gz WSHYEQCTLVVOMV-UIOOFZCWSA-N 2 1 440.584 2.846 40 0 IFABMP Cc1cccc(OC[C@@]2(O)C[N@@H+](Cc3cccc(OCC[NH+]4CCCC4)c3)CC[C@@H]2O)c1 ZINC000585284137 557222097 /nfs/dbraw/zinc/22/20/97/557222097.db2.gz VDYMFSUQMHLYLO-UIOOFZCWSA-N 2 1 440.584 2.846 40 0 IFABMP Cc1nc(Nc2cc(C)nc([C@@H]3CN(C(=O)CC[NH+]4CCOCC4)CCO3)c2)sc1C ZINC000257214768 568671983 /nfs/dbraw/zinc/67/19/83/568671983.db2.gz CNJKHHPJLZYPBV-FQEVSTJZSA-N 2 1 445.589 2.829 40 0 IFABMP c1cn2cc(C[C@@H]3COCC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)ncc2n1 ZINC000257235108 568681686 /nfs/dbraw/zinc/68/16/86/568681686.db2.gz GWLWGMZXELGDNM-NRFANRHFSA-N 2 1 435.572 2.895 40 0 IFABMP C[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273267 568699160 /nfs/dbraw/zinc/69/91/60/568699160.db2.gz NFXHGBTZVLFVTI-QHCPKHFHSA-N 2 1 445.571 2.795 40 0 IFABMP C[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273267 568699162 /nfs/dbraw/zinc/69/91/62/568699162.db2.gz NFXHGBTZVLFVTI-QHCPKHFHSA-N 2 1 445.571 2.795 40 0 IFABMP CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000012231854 520665976 /nfs/dbraw/zinc/66/59/76/520665976.db2.gz OOOXJHDYUVPSNZ-NVQXNPDNSA-N 2 1 434.584 2.996 40 0 IFABMP O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000012602421 527228190 /nfs/dbraw/zinc/22/81/90/527228190.db2.gz BDKNSLQPJUNAMT-ACIOBRDBSA-N 2 1 425.598 2.734 40 0 biogenic,in-vitro IFABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000019080881 556695905 /nfs/dbraw/zinc/69/59/05/556695905.db2.gz IWRBDSYVHNRBMV-MAUKXSAKSA-N 2 1 440.510 2.940 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019699952 556859687 /nfs/dbraw/zinc/85/96/87/556859687.db2.gz ADNSHHYZMOKSCB-HSZRJFAPSA-N 2 1 447.583 2.675 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019699952 556859691 /nfs/dbraw/zinc/85/96/91/556859691.db2.gz ADNSHHYZMOKSCB-HSZRJFAPSA-N 2 1 447.583 2.675 40 0 IFABMP COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355735 556930536 /nfs/dbraw/zinc/93/05/36/556930536.db2.gz ZVYYYUDXGOAGKX-IBGZPJMESA-N 2 1 435.572 2.814 40 0 IFABMP COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355735 556930541 /nfs/dbraw/zinc/93/05/41/556930541.db2.gz ZVYYYUDXGOAGKX-IBGZPJMESA-N 2 1 435.572 2.814 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284235 557223742 /nfs/dbraw/zinc/22/37/42/557223742.db2.gz VYQCGKVEWYKDAB-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284235 557223746 /nfs/dbraw/zinc/22/37/46/557223746.db2.gz VYQCGKVEWYKDAB-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1O ZINC000257315632 568717882 /nfs/dbraw/zinc/71/78/82/568717882.db2.gz VCFIQLKPWRIJHA-DNVJHFABSA-N 2 1 425.577 2.560 40 0 IFABMP CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](Cc3cccc(C)n3)C[C@H]2C1=O ZINC000019526397 556784568 /nfs/dbraw/zinc/78/45/68/556784568.db2.gz AOZOHLMEUXPGAE-NVQXNPDNSA-N 2 1 449.599 2.699 40 0 IFABMP COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355734 556930568 /nfs/dbraw/zinc/93/05/68/556930568.db2.gz ZVYYYUDXGOAGKX-LJQANCHMSA-N 2 1 435.572 2.814 40 0 IFABMP COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355734 556930571 /nfs/dbraw/zinc/93/05/71/556930571.db2.gz ZVYYYUDXGOAGKX-LJQANCHMSA-N 2 1 435.572 2.814 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284700 557224523 /nfs/dbraw/zinc/22/45/23/557224523.db2.gz ZAVAEJFTWZCLJI-QHCPKHFHSA-N 2 1 436.499 2.548 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284700 557224526 /nfs/dbraw/zinc/22/45/26/557224526.db2.gz ZAVAEJFTWZCLJI-QHCPKHFHSA-N 2 1 436.499 2.548 40 0 IFABMP CN(C)c1ncc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587767 569227280 /nfs/dbraw/zinc/22/72/80/569227280.db2.gz ULLRGPLSFQEWMZ-UGKGYDQZSA-N 2 1 440.567 2.853 40 0 IFABMP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000020503902 291350029 /nfs/dbraw/zinc/35/00/29/291350029.db2.gz GOVXHNZQNSCERO-IRFCIJBXSA-N 2 1 440.617 2.797 40 0 biogenic,in-vitro IFABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000036734325 524007387 /nfs/dbraw/zinc/00/73/87/524007387.db2.gz IWRBDSYVHNRBMV-YJBOKZPZSA-N 2 1 440.510 2.940 40 0 IFABMP Cc1ccccc1C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145915 557176015 /nfs/dbraw/zinc/17/60/15/557176015.db2.gz BNNYFCNWSCUUCD-VXKWHMMOSA-N 2 1 443.613 2.973 40 0 IFABMP O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272328 557217152 /nfs/dbraw/zinc/21/71/52/557217152.db2.gz MKHYOTBTTRNNRV-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272328 557217156 /nfs/dbraw/zinc/21/71/56/557217156.db2.gz MKHYOTBTTRNNRV-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282509 557221661 /nfs/dbraw/zinc/22/16/61/557221661.db2.gz LSJYPJXNDJVQSB-HSZRJFAPSA-N 2 1 436.499 2.548 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282509 557221664 /nfs/dbraw/zinc/22/16/64/557221664.db2.gz LSJYPJXNDJVQSB-HSZRJFAPSA-N 2 1 436.499 2.548 40 0 IFABMP CNC(=O)c1cnn([C@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCCC3)CC2)c1 ZINC000257262744 568694480 /nfs/dbraw/zinc/69/44/80/568694480.db2.gz LMQWWZWLILPCOF-QFIPXVFZSA-N 2 1 425.577 2.945 40 0 IFABMP CNC(=O)c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3OCC[NH+]3CCCC3)CC2)c1 ZINC000257262743 568694488 /nfs/dbraw/zinc/69/44/88/568694488.db2.gz LMQWWZWLILPCOF-JOCHJYFZSA-N 2 1 425.577 2.945 40 0 IFABMP CNc1ncc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592379 556828563 /nfs/dbraw/zinc/82/85/63/556828563.db2.gz RWMPBYOBDQZTDK-GHTZIAJQSA-N 2 1 426.540 2.828 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273034 557215521 /nfs/dbraw/zinc/21/55/21/557215521.db2.gz QIDFFBCPQNGVSZ-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273034 557215522 /nfs/dbraw/zinc/21/55/22/557215522.db2.gz QIDFFBCPQNGVSZ-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274080 557217941 /nfs/dbraw/zinc/21/79/41/557217941.db2.gz VTANSASWNUEIAY-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274080 557217943 /nfs/dbraw/zinc/21/79/43/557217943.db2.gz VTANSASWNUEIAY-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP CNc1ncc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592376 556828570 /nfs/dbraw/zinc/82/85/70/556828570.db2.gz RWMPBYOBDQZTDK-NQIIRXRSSA-N 2 1 426.540 2.828 40 0 IFABMP COc1cc(C[N@@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273020 557215382 /nfs/dbraw/zinc/21/53/82/557215382.db2.gz OMJANFOCBDBHBW-QFIPXVFZSA-N 2 1 441.563 2.694 40 0 IFABMP COc1cc(C[N@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273020 557215385 /nfs/dbraw/zinc/21/53/85/557215385.db2.gz OMJANFOCBDBHBW-QFIPXVFZSA-N 2 1 441.563 2.694 40 0 IFABMP C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CSc3ccccc3)on2)CC1 ZINC000015673504 560230641 /nfs/dbraw/zinc/23/06/41/560230641.db2.gz RSFZVAWVAQPFQE-OALUTQOASA-N 2 1 428.602 2.899 40 0 biogenic,in-vitro IFABMP c1cn2cc(C[C@H]3COCC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)ncc2n1 ZINC000257235109 568681644 /nfs/dbraw/zinc/68/16/44/568681644.db2.gz GWLWGMZXELGDNM-OAQYLSRUSA-N 2 1 435.572 2.895 40 0 IFABMP C[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273266 568699055 /nfs/dbraw/zinc/69/90/55/568699055.db2.gz NFXHGBTZVLFVTI-HSZRJFAPSA-N 2 1 445.571 2.795 40 0 IFABMP C[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3cccc(-n4ccnc4)n3)cc2)CC1 ZINC000257273266 568699057 /nfs/dbraw/zinc/69/90/57/568699057.db2.gz NFXHGBTZVLFVTI-HSZRJFAPSA-N 2 1 445.571 2.795 40 0 IFABMP O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccoc3)CC1)CC[N@@H+](Cc1cccnc1)C2 ZINC000306124449 568763238 /nfs/dbraw/zinc/76/32/38/568763238.db2.gz BPTHYIWCEBIPIC-UHFFFAOYSA-N 2 1 431.540 2.628 40 0 IFABMP O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccoc3)CC1)CC[N@H+](Cc1cccnc1)C2 ZINC000306124449 568763240 /nfs/dbraw/zinc/76/32/40/568763240.db2.gz BPTHYIWCEBIPIC-UHFFFAOYSA-N 2 1 431.540 2.628 40 0 IFABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)[C@H](C)[NH3+] ZINC000247997798 569206776 /nfs/dbraw/zinc/20/67/76/569206776.db2.gz NDFFDCQDPHAPKQ-HVLXEHQLSA-N 2 1 448.611 2.780 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019699954 569230909 /nfs/dbraw/zinc/23/09/09/569230909.db2.gz OKXWOPBGBBQCAT-HSZRJFAPSA-N 2 1 447.583 2.880 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019699954 569230910 /nfs/dbraw/zinc/23/09/10/569230910.db2.gz OKXWOPBGBBQCAT-HSZRJFAPSA-N 2 1 447.583 2.880 40 0 IFABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)[NH3+] ZINC000019449782 556760849 /nfs/dbraw/zinc/76/08/49/556760849.db2.gz NDFFDCQDPHAPKQ-LWIMQRDRSA-N 2 1 448.611 2.780 40 0 IFABMP O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585280664 557220342 /nfs/dbraw/zinc/22/03/42/557220342.db2.gz QTAHTOLUGBPSCF-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C1 ZINC000585280664 557220343 /nfs/dbraw/zinc/22/03/43/557220343.db2.gz QTAHTOLUGBPSCF-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585281953 557220779 /nfs/dbraw/zinc/22/07/79/557220779.db2.gz VNAZRVYXPHCRKI-GOTSBHOMSA-N 2 1 434.964 2.657 40 0 IFABMP O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@]1(O)COc1cccc(F)c1 ZINC000585284210 557223803 /nfs/dbraw/zinc/22/38/03/557223803.db2.gz VTGBOJQCJLRMIN-DQEYMECFSA-N 2 1 444.547 2.677 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284234 557223850 /nfs/dbraw/zinc/22/38/50/557223850.db2.gz VYQCGKVEWYKDAB-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)c1 ZINC000585284234 557223851 /nfs/dbraw/zinc/22/38/51/557223851.db2.gz VYQCGKVEWYKDAB-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP COc1ccc(C[N@H+]2CCC[C@@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)cc1 ZINC000019699760 569230738 /nfs/dbraw/zinc/23/07/38/569230738.db2.gz UDEBDODHKIRRGI-HXUWFJFHSA-N 2 1 428.577 2.906 40 0 IFABMP CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+](C)CCc2ccccn2)cc1 ZINC000008636201 291343474 /nfs/dbraw/zinc/34/34/74/291343474.db2.gz LWHRKRHSHZKQFC-WRALFONMSA-N 2 1 435.616 2.762 40 0 biogenic,in-vitro IFABMP CNc1ncc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592378 556828553 /nfs/dbraw/zinc/82/85/53/556828553.db2.gz RWMPBYOBDQZTDK-RXVVDRJESA-N 2 1 426.540 2.828 40 0 IFABMP COc1ccc(CCN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355732 556930418 /nfs/dbraw/zinc/93/04/18/556930418.db2.gz XQYQPVDWPCHSRN-HXUWFJFHSA-N 2 1 449.599 2.857 40 0 IFABMP COc1ccc(CCN2C(=O)Cc3c2nc([C@@H]2CCC[N@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355732 556930420 /nfs/dbraw/zinc/93/04/20/556930420.db2.gz XQYQPVDWPCHSRN-HXUWFJFHSA-N 2 1 449.599 2.857 40 0 IFABMP CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CC[NH+](CC2CCOCC2)CC3)C1=O ZINC000096036482 557163498 /nfs/dbraw/zinc/16/34/98/557163498.db2.gz URYBJFSPBHKFKM-VWLOTQADSA-N 2 1 426.605 2.645 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274081 557217854 /nfs/dbraw/zinc/21/78/54/557217854.db2.gz VTANSASWNUEIAY-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585274081 557217859 /nfs/dbraw/zinc/21/78/59/557217859.db2.gz VTANSASWNUEIAY-QHCPKHFHSA-N 2 1 434.964 2.923 40 0 IFABMP O[C@H]1CC[N@@H+](Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283138 557222704 /nfs/dbraw/zinc/22/27/04/557222704.db2.gz QEROLWWMJAAYBZ-DQEYMECFSA-N 2 1 444.547 2.677 40 0 IFABMP CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@H]1C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000257234653 568681395 /nfs/dbraw/zinc/68/13/95/568681395.db2.gz GUNQTPXKFBVCML-NRFANRHFSA-N 2 1 444.624 2.591 40 0 IFABMP c1cn2nc(C[C@@H]3COCC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)ccc2n1 ZINC000257255079 568690888 /nfs/dbraw/zinc/69/08/88/568690888.db2.gz KGACDFFDZQKAPH-NRFANRHFSA-N 2 1 435.572 2.895 40 0 IFABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)[C@H](C)[NH3+] ZINC000247997792 569206783 /nfs/dbraw/zinc/20/67/83/569206783.db2.gz NDFFDCQDPHAPKQ-DUDMDALESA-N 2 1 448.611 2.780 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273025 557215412 /nfs/dbraw/zinc/21/54/12/557215412.db2.gz QIDFFBCPQNGVSZ-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000585273025 557215418 /nfs/dbraw/zinc/21/54/18/557215418.db2.gz QIDFFBCPQNGVSZ-HSZRJFAPSA-N 2 1 434.964 2.923 40 0 IFABMP COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)c(OC)c2)cc1 ZINC000585270842 568617644 /nfs/dbraw/zinc/61/76/44/568617644.db2.gz BOLUCVIPBCXJHF-HXUWFJFHSA-N 2 1 432.561 2.906 40 0 IFABMP Cc1nc(Nc2cc(C)nc([C@H]3CN(C(=O)CC[NH+]4CCOCC4)CCO3)c2)sc1C ZINC000257214769 568672001 /nfs/dbraw/zinc/67/20/01/568672001.db2.gz CNJKHHPJLZYPBV-HXUWFJFHSA-N 2 1 445.589 2.829 40 0 IFABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)[C@@H](C)[NH3+] ZINC000247997803 569206828 /nfs/dbraw/zinc/20/68/28/569206828.db2.gz NDFFDCQDPHAPKQ-LZCPXLSCSA-N 2 1 448.611 2.780 40 0 IFABMP C[N@H+]1CCCN(C(=O)c2ncn3c2nccc3C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000096155688 557180141 /nfs/dbraw/zinc/18/01/41/557180141.db2.gz HIPHFZZLRCZLHT-UHFFFAOYSA-N 2 1 432.572 2.887 40 0 IFABMP CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000257234654 568681413 /nfs/dbraw/zinc/68/14/13/568681413.db2.gz GUNQTPXKFBVCML-OAQYLSRUSA-N 2 1 444.624 2.591 40 0 IFABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257269303 568697177 /nfs/dbraw/zinc/69/71/77/568697177.db2.gz MPKDFZBAJWSFAG-DNVJHFABSA-N 2 1 426.561 2.941 40 0 IFABMP CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)[C@@H](C)[NH3+] ZINC000247997807 569206772 /nfs/dbraw/zinc/20/67/72/569206772.db2.gz NDFFDCQDPHAPKQ-ZGVKLFSVSA-N 2 1 448.611 2.780 40 0 IFABMP C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C(=O)N(CC[NH+]1CCCC1)c1ccccc1C(=O)N2 ZINC000012231867 525352838 /nfs/dbraw/zinc/35/28/38/525352838.db2.gz ITBOWPWXOCJLHP-NVQXNPDNSA-N 2 1 432.568 2.750 40 0 IFABMP CNc1ncc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592377 556828582 /nfs/dbraw/zinc/82/85/82/556828582.db2.gz RWMPBYOBDQZTDK-WIYYLYMNSA-N 2 1 426.540 2.828 40 0 IFABMP COc1ccc(CCN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355733 556930398 /nfs/dbraw/zinc/93/03/98/556930398.db2.gz XQYQPVDWPCHSRN-FQEVSTJZSA-N 2 1 449.599 2.857 40 0 IFABMP COc1ccc(CCN2C(=O)Cc3c2nc([C@H]2CCC[N@H+](C4CC[NH2+]CC4)C2)nc3C)cc1 ZINC000072355733 556930400 /nfs/dbraw/zinc/93/04/00/556930400.db2.gz XQYQPVDWPCHSRN-FQEVSTJZSA-N 2 1 449.599 2.857 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284699 557224507 /nfs/dbraw/zinc/22/45/07/557224507.db2.gz ZAVAEJFTWZCLJI-HSZRJFAPSA-N 2 1 436.499 2.548 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 ZINC000585284699 557224512 /nfs/dbraw/zinc/22/45/12/557224512.db2.gz ZAVAEJFTWZCLJI-HSZRJFAPSA-N 2 1 436.499 2.548 40 0 IFABMP c1cn2nc(C[C@H]3COCC[N@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)ccc2n1 ZINC000257255080 568690912 /nfs/dbraw/zinc/69/09/12/568690912.db2.gz KGACDFFDZQKAPH-OAQYLSRUSA-N 2 1 435.572 2.895 40 0 IFABMP C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)CC2)CC1 ZINC000257298117 568710432 /nfs/dbraw/zinc/71/04/32/568710432.db2.gz RKFQEDINMXXHBZ-XMMPIXPASA-N 2 1 440.632 2.994 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019699955 569230861 /nfs/dbraw/zinc/23/08/61/569230861.db2.gz OKXWOPBGBBQCAT-QHCPKHFHSA-N 2 1 447.583 2.880 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019699955 569230862 /nfs/dbraw/zinc/23/08/62/569230862.db2.gz OKXWOPBGBBQCAT-QHCPKHFHSA-N 2 1 447.583 2.880 40 0 IFABMP CC[NH+](CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000019526320 556784271 /nfs/dbraw/zinc/78/42/71/556784271.db2.gz GTLFBMCCGZNWJW-UHFFFAOYSA-N 2 1 437.588 2.788 40 0 IFABMP CC[NH+](CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000019526320 556784275 /nfs/dbraw/zinc/78/42/75/556784275.db2.gz GTLFBMCCGZNWJW-UHFFFAOYSA-N 2 1 437.588 2.788 40 0 IFABMP CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C2 ZINC000019710910 556874962 /nfs/dbraw/zinc/87/49/62/556874962.db2.gz WOSFIEZZROZPEI-HXUWFJFHSA-N 2 1 442.995 2.826 40 0 IFABMP COc1cc(C[N@@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273015 557215315 /nfs/dbraw/zinc/21/53/15/557215315.db2.gz OMJANFOCBDBHBW-JOCHJYFZSA-N 2 1 441.563 2.694 40 0 IFABMP COc1cc(C[N@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCC[NH+](C)C ZINC000585273015 557215322 /nfs/dbraw/zinc/21/53/22/557215322.db2.gz OMJANFOCBDBHBW-JOCHJYFZSA-N 2 1 441.563 2.694 40 0 IFABMP COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)c(OC)c2)cc1 ZINC000585270834 568617801 /nfs/dbraw/zinc/61/78/01/568617801.db2.gz BOLUCVIPBCXJHF-FQEVSTJZSA-N 2 1 432.561 2.906 40 0 IFABMP COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)c(OC)c2)c1 ZINC000585274439 568618743 /nfs/dbraw/zinc/61/87/43/568618743.db2.gz WPGUPHUVUHAAKO-FQEVSTJZSA-N 2 1 432.561 2.906 40 0 IFABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000036734327 524020873 /nfs/dbraw/zinc/02/08/73/524020873.db2.gz IWRBDSYVHNRBMV-QAPCUYQASA-N 2 1 440.510 2.940 40 0 IFABMP CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](Cc3ncccc3C)C[C@H]2C1=O ZINC000019526396 556784584 /nfs/dbraw/zinc/78/45/84/556784584.db2.gz AVMXFEUCEYQGQT-LVXARBLLSA-N 2 1 449.599 2.699 40 0 IFABMP CN(C)c1ncc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587769 556824142 /nfs/dbraw/zinc/82/41/42/556824142.db2.gz ULLRGPLSFQEWMZ-SIKLNZKXSA-N 2 1 440.567 2.853 40 0 IFABMP CC(=O)N[C@]12C[N@@H+](CC3(O)CCN(c4ccccc4)CC3)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2 ZINC000585262103 557200464 /nfs/dbraw/zinc/20/04/64/557200464.db2.gz RSWMLRKWGMJWBQ-RGSZASNESA-N 2 1 448.611 2.559 40 0 IFABMP O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272331 557217092 /nfs/dbraw/zinc/21/70/92/557217092.db2.gz MKHYOTBTTRNNRV-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272331 557217096 /nfs/dbraw/zinc/21/70/96/557217096.db2.gz MKHYOTBTTRNNRV-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCC[NH+](C)C ZINC000585273943 557217880 /nfs/dbraw/zinc/21/78/80/557217880.db2.gz UBFXWDOZAJNEHU-XMMPIXPASA-N 2 1 446.567 2.633 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282609 557221627 /nfs/dbraw/zinc/22/16/27/557221627.db2.gz LSJYPJXNDJVQSB-QHCPKHFHSA-N 2 1 436.499 2.548 40 0 IFABMP C[NH+](C)CCOc1cccc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)c1 ZINC000585282609 557221630 /nfs/dbraw/zinc/22/16/30/557221630.db2.gz LSJYPJXNDJVQSB-QHCPKHFHSA-N 2 1 436.499 2.548 40 0 IFABMP O[C@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585270489 568616801 /nfs/dbraw/zinc/61/68/01/568616801.db2.gz DBSSGBZYNTZEBT-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585270489 568616803 /nfs/dbraw/zinc/61/68/03/568616803.db2.gz DBSSGBZYNTZEBT-VWLOTQADSA-N 2 1 444.547 2.943 40 0 IFABMP COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)c(OC)c2)c1 ZINC000585274440 568618483 /nfs/dbraw/zinc/61/84/83/568618483.db2.gz WPGUPHUVUHAAKO-HXUWFJFHSA-N 2 1 432.561 2.906 40 0 IFABMP COc1ccc(C[N@H+]2CCC[C@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)cc1 ZINC000019699761 569230741 /nfs/dbraw/zinc/23/07/41/569230741.db2.gz UDEBDODHKIRRGI-FQEVSTJZSA-N 2 1 428.577 2.906 40 0 IFABMP O=c1c(-c2ccccc2CN2CCOCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000020503644 527448608 /nfs/dbraw/zinc/44/86/08/527448608.db2.gz WBBVXZADUWQBTA-RBBKRZOGSA-N 2 1 449.595 2.946 40 0 biogenic,in-vitro IFABMP C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 ZINC000019588186 556824044 /nfs/dbraw/zinc/82/40/44/556824044.db2.gz ZRKTYNFNTXRVGZ-GOTSBHOMSA-N 2 1 448.615 2.503 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019699953 556859655 /nfs/dbraw/zinc/85/96/55/556859655.db2.gz ADNSHHYZMOKSCB-QHCPKHFHSA-N 2 1 447.583 2.675 40 0 IFABMP O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019699953 556859660 /nfs/dbraw/zinc/85/96/60/556859660.db2.gz ADNSHHYZMOKSCB-QHCPKHFHSA-N 2 1 447.583 2.675 40 0 IFABMP O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585270485 568616839 /nfs/dbraw/zinc/61/68/39/568616839.db2.gz DBSSGBZYNTZEBT-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585270485 568616841 /nfs/dbraw/zinc/61/68/41/568616841.db2.gz DBSSGBZYNTZEBT-RUZDIDTESA-N 2 1 444.547 2.943 40 0 IFABMP Cc1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)ncn1 ZINC000585274656 568618441 /nfs/dbraw/zinc/61/84/41/568618441.db2.gz ZGZSXLMLPYWSJH-RUZDIDTESA-N 2 1 439.604 2.723 40 0 IFABMP C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)CC2)CC1 ZINC000257298116 568710396 /nfs/dbraw/zinc/71/03/96/568710396.db2.gz RKFQEDINMXXHBZ-DEOSSOPVSA-N 2 1 440.632 2.994 40 0 IFABMP CN(C)c1ncc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587763 569227230 /nfs/dbraw/zinc/22/72/30/569227230.db2.gz ULLRGPLSFQEWMZ-KNQAVFIVSA-N 2 1 440.567 2.853 40 0 IFABMP