smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C12C[NH+](Cc3ccccc3)CC1(c1ccccc1)C[N@@H+](Cc1ccccc1)C2 ZINC000022011010 520472400 /nfs/dbraw/zinc/47/24/00/520472400.db2.gz ZIBNXPATEDLEBG-UHFFFAOYSA-N 2 1 440.587 4.506 50 0 IJAAMP CCOC(=O)C12C[NH+](Cc3ccccc3)CC1(c1ccccc1)C[N@H+](Cc1ccccc1)C2 ZINC000022011010 520472411 /nfs/dbraw/zinc/47/24/11/520472411.db2.gz ZIBNXPATEDLEBG-UHFFFAOYSA-N 2 1 440.587 4.506 50 0 IJAAMP COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155502 524024631 /nfs/dbraw/zinc/02/46/31/524024631.db2.gz QUXKBBLLIDBBML-SANMLTNESA-N 2 1 445.607 4.751 50 0 IJAAMP CC[N@@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)Cc1ccc(C)cc1 ZINC000034836525 555914138 /nfs/dbraw/zinc/91/41/38/555914138.db2.gz WZSOFHFSIVXOFA-UHFFFAOYSA-N 2 1 449.618 4.792 50 0 IJAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CC[NH+](C)CC1 ZINC000012054402 556393429 /nfs/dbraw/zinc/39/34/29/556393429.db2.gz NLKZWFYVJIYNJT-QFIPXVFZSA-N 2 1 445.651 4.803 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015064426 556491748 /nfs/dbraw/zinc/49/17/48/556491748.db2.gz OYKVHZMTYHYLAL-VWLOTQADSA-N 2 1 444.623 4.551 50 0 IJAAMP COCCN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011813806 556658117 /nfs/dbraw/zinc/65/81/17/556658117.db2.gz DWJUWGSYTWVMLH-OAQYLSRUSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011813806 556658120 /nfs/dbraw/zinc/65/81/20/556658120.db2.gz DWJUWGSYTWVMLH-OAQYLSRUSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011813806 556658124 /nfs/dbraw/zinc/65/81/24/556658124.db2.gz DWJUWGSYTWVMLH-OAQYLSRUSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011813806 556658126 /nfs/dbraw/zinc/65/81/26/556658126.db2.gz DWJUWGSYTWVMLH-OAQYLSRUSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[NH+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011813806 556658130 /nfs/dbraw/zinc/65/81/30/556658130.db2.gz DWJUWGSYTWVMLH-OAQYLSRUSA-N 2 1 444.566 4.616 50 0 IJAAMP CC(=O)c1cccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020293522 557005977 /nfs/dbraw/zinc/00/59/77/557005977.db2.gz OVEGTUDLGMBOIS-VWLOTQADSA-N 2 1 425.661 4.832 50 0 IJAAMP CC[N@@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020542623 521394658 /nfs/dbraw/zinc/39/46/58/521394658.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020542623 521394668 /nfs/dbraw/zinc/39/46/68/521394668.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020542623 521394679 /nfs/dbraw/zinc/39/46/79/521394679.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020542623 521394690 /nfs/dbraw/zinc/39/46/90/521394690.db2.gz VUVZNYJHNUAHSS-OAQYLSRUSA-N 2 1 426.605 4.850 50 0 IJAAMP COCc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012448178 522920622 /nfs/dbraw/zinc/92/06/22/522920622.db2.gz MGZBZWNAJRCLKV-UHFFFAOYSA-N 2 1 437.628 4.893 50 0 IJAAMP COCC[N@@H+](C/C=C/c1ccc(OC)cc1)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012385232 523639032 /nfs/dbraw/zinc/63/90/32/523639032.db2.gz PNJPFKSKIDUWPD-VOTSOKGWSA-N 2 1 438.612 4.578 50 0 IJAAMP COCC[N@H+](C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020449341 523639584 /nfs/dbraw/zinc/63/95/84/523639584.db2.gz DFLFBOUKLMEJKV-SXBBHYFQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[N@@H+](C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020449341 523639598 /nfs/dbraw/zinc/63/95/98/523639598.db2.gz DFLFBOUKLMEJKV-SXBBHYFQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[NH+](C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020449341 523639603 /nfs/dbraw/zinc/63/96/03/523639603.db2.gz DFLFBOUKLMEJKV-SXBBHYFQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[NH+](C/C=C/c1ccc(OC)cc1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020449341 523639607 /nfs/dbraw/zinc/63/96/07/523639607.db2.gz DFLFBOUKLMEJKV-SXBBHYFQSA-N 2 1 434.624 4.536 50 0 IJAAMP C[NH+](C)[C@H](CNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)c1ccccc1 ZINC000013137402 556484382 /nfs/dbraw/zinc/48/43/82/556484382.db2.gz LHWKSJDFYFPPKI-HXUWFJFHSA-N 2 1 435.641 4.881 50 0 IJAAMP CC(=O)c1cccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020293526 557005862 /nfs/dbraw/zinc/00/58/62/557005862.db2.gz OVEGTUDLGMBOIS-RUZDIDTESA-N 2 1 425.661 4.832 50 0 IJAAMP CC(=O)Nc1ccc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000020472146 519715783 /nfs/dbraw/zinc/71/57/83/519715783.db2.gz NODFZGJOKZYFKL-RUZDIDTESA-N 2 1 440.676 4.588 50 0 IJAAMP CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012595201 521276470 /nfs/dbraw/zinc/27/64/70/521276470.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 2 1 426.649 4.866 50 0 IJAAMP CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012595201 521276477 /nfs/dbraw/zinc/27/64/77/521276477.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 2 1 426.649 4.866 50 0 IJAAMP CC[NH+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012595201 521276485 /nfs/dbraw/zinc/27/64/85/521276485.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 2 1 426.649 4.866 50 0 IJAAMP CC[NH+](Cc1c(C)nn(C(C)C)c1C)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012595201 521276492 /nfs/dbraw/zinc/27/64/92/521276492.db2.gz PYWXQKKERZYCCV-XMMPIXPASA-N 2 1 426.649 4.866 50 0 IJAAMP COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012156003 523406387 /nfs/dbraw/zinc/40/63/87/523406387.db2.gz ZKFHCRQVMVPCFG-UKKYDJSUSA-N 2 1 438.641 4.566 50 0 IJAAMP COCC[N@H+](Cc1[nH]c2ccccc2c1C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000020541420 523735717 /nfs/dbraw/zinc/73/57/17/523735717.db2.gz LPYWMDHZRZQODR-UHFFFAOYSA-N 2 1 435.612 4.846 50 0 IJAAMP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949169 /nfs/dbraw/zinc/94/91/69/523949169.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949174 /nfs/dbraw/zinc/94/91/74/523949174.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949180 /nfs/dbraw/zinc/94/91/80/523949180.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301929 523949186 /nfs/dbraw/zinc/94/91/86/523949186.db2.gz MOEVWGGROVNUOW-OAQYLSRUSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003651 /nfs/dbraw/zinc/00/36/51/524003651.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 2 1 446.639 4.635 50 0 IJAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003656 /nfs/dbraw/zinc/00/36/56/524003656.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 2 1 446.639 4.635 50 0 IJAAMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200587 524003661 /nfs/dbraw/zinc/00/36/61/524003661.db2.gz HMQFWKXMZNNIAV-RUZDIDTESA-N 2 1 446.639 4.635 50 0 IJAAMP COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)cc1O ZINC000012155500 524024904 /nfs/dbraw/zinc/02/49/04/524024904.db2.gz QUXKBBLLIDBBML-AREMUKBSSA-N 2 1 445.607 4.751 50 0 IJAAMP C(c1nc2sc3c(c2c(NC2CC[NH+](C4CC4)CC2)n1)CCCC3)[NH+]1CCCCC1 ZINC000014189715 556387329 /nfs/dbraw/zinc/38/73/29/556387329.db2.gz NDBPYGZZOQOWFM-UHFFFAOYSA-N 2 1 425.646 4.595 50 0 IJAAMP COCC[N@@H+](Cc1[nH]c2ccccc2c1C)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014976042 556468395 /nfs/dbraw/zinc/46/83/95/556468395.db2.gz UZKJRBWJIXONRL-JOCHJYFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[N@H+](Cc1[nH]c2ccccc2c1C)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014976042 556468396 /nfs/dbraw/zinc/46/83/96/556468396.db2.gz UZKJRBWJIXONRL-JOCHJYFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[NH+](Cc1[nH]c2ccccc2c1C)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014976042 556468398 /nfs/dbraw/zinc/46/83/98/556468398.db2.gz UZKJRBWJIXONRL-JOCHJYFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[NH+](Cc1[nH]c2ccccc2c1C)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014976042 556468400 /nfs/dbraw/zinc/46/84/00/556468400.db2.gz UZKJRBWJIXONRL-JOCHJYFZSA-N 2 1 431.624 4.804 50 0 IJAAMP O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000015008099 556482296 /nfs/dbraw/zinc/48/22/96/556482296.db2.gz ROAPUTOJPNURSI-QFIPXVFZSA-N 2 1 439.550 4.670 50 0 IJAAMP C[N@@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000020211711 556998568 /nfs/dbraw/zinc/99/85/68/556998568.db2.gz NCZBVBRBLDZVJF-HXUWFJFHSA-N 2 1 429.033 4.974 50 0 IJAAMP C[N@H+](Cc1cccn1-c1nccs1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000020211711 556998570 /nfs/dbraw/zinc/99/85/70/556998570.db2.gz NCZBVBRBLDZVJF-HXUWFJFHSA-N 2 1 429.033 4.974 50 0 IJAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211711 556998574 /nfs/dbraw/zinc/99/85/74/556998574.db2.gz NCZBVBRBLDZVJF-HXUWFJFHSA-N 2 1 429.033 4.974 50 0 IJAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211711 556998577 /nfs/dbraw/zinc/99/85/77/556998577.db2.gz NCZBVBRBLDZVJF-HXUWFJFHSA-N 2 1 429.033 4.974 50 0 IJAAMP CC(C)[NH+]1CCC([NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000023338121 557085285 /nfs/dbraw/zinc/08/52/85/557085285.db2.gz VABWDZYUFRDIDI-UHFFFAOYSA-N 2 1 448.051 4.728 50 0 IJAAMP CCOC(=O)c1c(C)n(-c2ccc([NH+](CC)CC)cc2)c2ccc(OCC[NH+](C)C)cc21 ZINC000009246628 569515439 /nfs/dbraw/zinc/51/54/39/569515439.db2.gz RTPPCVTZMQSNGI-UHFFFAOYSA-N 2 1 437.584 4.902 50 0 IJAAMP CC(=O)c1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012301923 518420932 /nfs/dbraw/zinc/42/09/32/518420932.db2.gz JLLGEFYVSXXRKY-GDLZYMKVSA-N 2 1 446.635 4.750 50 0 IJAAMP CCOc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012431141 520697593 /nfs/dbraw/zinc/69/75/93/520697593.db2.gz QCWWUZSLXVMEJG-XMMPIXPASA-N 2 1 430.633 4.730 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813297 556356357 /nfs/dbraw/zinc/35/63/57/556356357.db2.gz HQFLGVKXRRAHLP-NRFANRHFSA-N 2 1 446.060 4.784 50 0 IJAAMP COc1cc(C)c(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1C ZINC000015002654 556480514 /nfs/dbraw/zinc/48/05/14/556480514.db2.gz PUTZKSOJSNOYFD-OAQYLSRUSA-N 2 1 440.657 4.670 50 0 IJAAMP CCOCc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015078514 556500194 /nfs/dbraw/zinc/50/01/94/556500194.db2.gz ZKHALQUKJLZQRJ-AREMUKBSSA-N 2 1 444.660 4.867 50 0 IJAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020322267 557007671 /nfs/dbraw/zinc/00/76/71/557007671.db2.gz KHWDJNSZFTYNMI-UHFFFAOYSA-N 2 1 425.536 4.982 50 0 IJAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020322267 557007673 /nfs/dbraw/zinc/00/76/73/557007673.db2.gz KHWDJNSZFTYNMI-UHFFFAOYSA-N 2 1 425.536 4.982 50 0 IJAAMP CCOc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000012431140 520697027 /nfs/dbraw/zinc/69/70/27/520697027.db2.gz QCWWUZSLXVMEJG-DEOSSOPVSA-N 2 1 430.633 4.730 50 0 IJAAMP COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000012156010 523404567 /nfs/dbraw/zinc/40/45/67/523404567.db2.gz ZKFHCRQVMVPCFG-LHXJMTLCSA-N 2 1 438.641 4.566 50 0 IJAAMP COc1ccc(CC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)CC2CC[NH+](C)CC2)cc1 ZINC000012445793 523942202 /nfs/dbraw/zinc/94/22/02/523942202.db2.gz XDLLDYINYQQACS-UHFFFAOYSA-N 2 1 436.575 4.611 50 0 IJAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348132 /nfs/dbraw/zinc/34/81/32/556348132.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348134 /nfs/dbraw/zinc/34/81/34/556348134.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348136 /nfs/dbraw/zinc/34/81/36/556348136.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713150 556348139 /nfs/dbraw/zinc/34/81/39/556348139.db2.gz OBKCFIKGUZTUBY-QHCPKHFHSA-N 2 1 432.612 4.556 50 0 IJAAMP O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011934343 556377610 /nfs/dbraw/zinc/37/76/10/556377610.db2.gz GBRDIYHRTBWTSG-XMMPIXPASA-N 2 1 444.623 4.505 50 0 IJAAMP O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011934343 556377613 /nfs/dbraw/zinc/37/76/13/556377613.db2.gz GBRDIYHRTBWTSG-XMMPIXPASA-N 2 1 444.623 4.505 50 0 IJAAMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734688 /nfs/dbraw/zinc/73/46/88/556734688.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734690 /nfs/dbraw/zinc/73/46/90/556734690.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734692 /nfs/dbraw/zinc/73/46/92/556734692.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099211 556734693 /nfs/dbraw/zinc/73/46/93/556734693.db2.gz WNEILMVLUGZDDP-GOSISDBHSA-N 2 1 434.983 4.883 50 0 IJAAMP CC[NH+]1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028433 556967691 /nfs/dbraw/zinc/96/76/91/556967691.db2.gz PYWLMPHRWUDRKH-AVXLBDNFSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000020028433 556967692 /nfs/dbraw/zinc/96/76/92/556967692.db2.gz PYWLMPHRWUDRKH-AVXLBDNFSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000020028433 556967695 /nfs/dbraw/zinc/96/76/95/556967695.db2.gz PYWLMPHRWUDRKH-AVXLBDNFSA-N 2 1 430.592 4.504 50 0 IJAAMP O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012583943 526408453 /nfs/dbraw/zinc/40/84/53/526408453.db2.gz VMLPPBXRIXPTSZ-VYTBZZOSSA-N 2 1 431.624 4.583 50 0 IJAAMP Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000012706156 526728478 /nfs/dbraw/zinc/72/84/78/526728478.db2.gz JGUKUWITFMKOBR-UHFFFAOYSA-N 2 1 431.580 4.861 50 0 IJAAMP O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014134631 556374869 /nfs/dbraw/zinc/37/48/69/556374869.db2.gz HVUIZZCOMOSXFJ-HXUWFJFHSA-N 2 1 434.609 4.710 50 0 IJAAMP O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014134631 556374872 /nfs/dbraw/zinc/37/48/72/556374872.db2.gz HVUIZZCOMOSXFJ-HXUWFJFHSA-N 2 1 434.609 4.710 50 0 IJAAMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000014242867 556403458 /nfs/dbraw/zinc/40/34/58/556403458.db2.gz SZCAPEFWUWFVRE-UHFFFAOYSA-N 2 1 444.604 4.723 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1F ZINC000023339060 557085591 /nfs/dbraw/zinc/08/55/91/557085591.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1F ZINC000023339060 557085595 /nfs/dbraw/zinc/08/55/95/557085595.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000023339060 557085597 /nfs/dbraw/zinc/08/55/97/557085597.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000023339060 557085600 /nfs/dbraw/zinc/08/56/00/557085600.db2.gz BWRHFJVASYVRAJ-FQEVSTJZSA-N 2 1 436.575 4.769 50 0 IJAAMP CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000012386143 562981863 /nfs/dbraw/zinc/98/18/63/562981863.db2.gz OVHRPJNENURSDV-UHFFFAOYSA-N 2 1 440.550 4.766 50 0 IJAAMP CC[NH+]1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000230138951 569439230 /nfs/dbraw/zinc/43/92/30/569439230.db2.gz PYWLMPHRWUDRKH-NESAKCKISA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@H+](CC)C/C3=C/c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000230138951 569439231 /nfs/dbraw/zinc/43/92/31/569439231.db2.gz PYWLMPHRWUDRKH-NESAKCKISA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@@H+](CC)C/C3=C/c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000230138951 569439232 /nfs/dbraw/zinc/43/92/32/569439232.db2.gz PYWLMPHRWUDRKH-NESAKCKISA-N 2 1 430.592 4.504 50 0 IJAAMP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3nccn3-c3cccc(C)c3)CC2)cc1 ZINC000012433511 523949342 /nfs/dbraw/zinc/94/93/42/523949342.db2.gz XODBTBFKBDWEEJ-UHFFFAOYSA-N 2 1 432.612 4.576 50 0 IJAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3nccn3-c3cccc(C)c3)CC2)cc1 ZINC000012433511 523949346 /nfs/dbraw/zinc/94/93/46/523949346.db2.gz XODBTBFKBDWEEJ-UHFFFAOYSA-N 2 1 432.612 4.576 50 0 IJAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003856 /nfs/dbraw/zinc/00/38/56/524003856.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 2 1 446.639 4.635 50 0 IJAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003861 /nfs/dbraw/zinc/00/38/61/524003861.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 2 1 446.639 4.635 50 0 IJAAMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cc1Cn1cccn1 ZINC000012200580 524003865 /nfs/dbraw/zinc/00/38/65/524003865.db2.gz HMQFWKXMZNNIAV-VWLOTQADSA-N 2 1 446.639 4.635 50 0 IJAAMP Clc1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000012748576 526930561 /nfs/dbraw/zinc/93/05/61/526930561.db2.gz GEIOXSOUFFZXNC-NRFANRHFSA-N 2 1 435.008 4.704 50 0 IJAAMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](Cc3ccccc3OC)CC2)cc1O ZINC000012073641 556396513 /nfs/dbraw/zinc/39/65/13/556396513.db2.gz PYYLSEMCPWPASB-UHFFFAOYSA-N 2 1 426.601 4.780 50 0 IJAAMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)CC1 ZINC000012073254 556396552 /nfs/dbraw/zinc/39/65/52/556396552.db2.gz ZNOARGBCJUXHQM-UHFFFAOYSA-N 2 1 425.548 4.753 50 0 IJAAMP CCOCc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000015078512 556500208 /nfs/dbraw/zinc/50/02/08/556500208.db2.gz ZKHALQUKJLZQRJ-SANMLTNESA-N 2 1 444.660 4.867 50 0 IJAAMP CC(C)CCN1CC[C@H]([N@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509773 556629628 /nfs/dbraw/zinc/62/96/28/556629628.db2.gz YSAUPWXIHXWENX-VPUSJEBWSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@H]([NH+]2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509773 556629629 /nfs/dbraw/zinc/62/96/29/556629629.db2.gz YSAUPWXIHXWENX-VPUSJEBWSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@H]([NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509773 556629632 /nfs/dbraw/zinc/62/96/32/556629632.db2.gz YSAUPWXIHXWENX-VPUSJEBWSA-N 2 1 425.661 4.792 50 0 IJAAMP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000013113465 526399390 /nfs/dbraw/zinc/39/93/90/526399390.db2.gz RGLAZBZXSAPSBJ-UHFFFAOYSA-N 2 1 438.575 4.661 50 0 IJAAMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000013113429 526575765 /nfs/dbraw/zinc/57/57/65/526575765.db2.gz QASCSMJXZDKWRF-UHFFFAOYSA-N 2 1 444.604 4.723 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000023339058 557085620 /nfs/dbraw/zinc/08/56/20/557085620.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1F ZINC000023339058 557085623 /nfs/dbraw/zinc/08/56/23/557085623.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000023339058 557085628 /nfs/dbraw/zinc/08/56/28/557085628.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 2 1 436.575 4.769 50 0 IJAAMP COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000023339058 557085630 /nfs/dbraw/zinc/08/56/30/557085630.db2.gz BWRHFJVASYVRAJ-HXUWFJFHSA-N 2 1 436.575 4.769 50 0 IJAAMP O=C(Nc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000024828931 557164304 /nfs/dbraw/zinc/16/43/04/557164304.db2.gz WPMKHDJVOJKTFD-UHFFFAOYSA-N 2 1 449.982 4.714 50 0 IJAAMP c1c(C[N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000013596877 562996688 /nfs/dbraw/zinc/99/66/88/562996688.db2.gz TXIMTUQQVICEGL-OAQYLSRUSA-N 2 1 444.579 4.576 50 0 IJAAMP c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC3)C2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000013596877 562996690 /nfs/dbraw/zinc/99/66/90/562996690.db2.gz TXIMTUQQVICEGL-OAQYLSRUSA-N 2 1 444.579 4.576 50 0 IJAAMP CC[NH+]1CC2=C(O[C@@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C\c2ccccc2)C1 ZINC000252624950 569203074 /nfs/dbraw/zinc/20/30/74/569203074.db2.gz PYWLMPHRWUDRKH-LLRLVMATSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@H+](CC)C/C3=C/c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000252624950 569203075 /nfs/dbraw/zinc/20/30/75/569203075.db2.gz PYWLMPHRWUDRKH-LLRLVMATSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@@H+](CC)C/C3=C/c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000252624950 569203076 /nfs/dbraw/zinc/20/30/76/569203076.db2.gz PYWLMPHRWUDRKH-LLRLVMATSA-N 2 1 430.592 4.504 50 0 IJAAMP CC(=O)c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000012706862 518275053 /nfs/dbraw/zinc/27/50/53/518275053.db2.gz PYKQBEAVHXRMMZ-HSZRJFAPSA-N 2 1 444.616 4.983 50 0 IJAAMP CC[N@@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012709433 521322685 /nfs/dbraw/zinc/32/26/85/521322685.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012709433 521322689 /nfs/dbraw/zinc/32/26/89/521322689.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012709433 521322695 /nfs/dbraw/zinc/32/26/95/521322695.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012709433 521322698 /nfs/dbraw/zinc/32/26/98/521322698.db2.gz WELNWGIANNSANM-HSZRJFAPSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012441064 521394963 /nfs/dbraw/zinc/39/49/63/521394963.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012441064 521394973 /nfs/dbraw/zinc/39/49/73/521394973.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012441064 521394981 /nfs/dbraw/zinc/39/49/81/521394981.db2.gz QMBPNUFXIBNIBI-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP Cc1ccc([C@H]([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccs2)cc1 ZINC000012766997 525968744 /nfs/dbraw/zinc/96/87/44/525968744.db2.gz GADGSAWEAJMXJS-SANMLTNESA-N 2 1 433.621 4.516 50 0 IJAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933696 556377194 /nfs/dbraw/zinc/37/71/94/556377194.db2.gz CMGGAJCRTYIQHR-HSZRJFAPSA-N 2 1 435.612 4.887 50 0 IJAAMP c1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2ccccn2)c1 ZINC000055252778 556738868 /nfs/dbraw/zinc/73/88/68/556738868.db2.gz WJYNYKYLGQDOCU-UHFFFAOYSA-N 2 1 429.612 4.924 50 0 IJAAMP Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000011662756 557236888 /nfs/dbraw/zinc/23/68/88/557236888.db2.gz NDUMTRCQFDTDAN-JOCHJYFZSA-N 2 1 437.628 4.800 50 0 IJAAMP CC(=O)c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000012706858 518275379 /nfs/dbraw/zinc/27/53/79/518275379.db2.gz PYKQBEAVHXRMMZ-QHCPKHFHSA-N 2 1 444.616 4.983 50 0 IJAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(OC)c(OC)c3Cl)CC2)cc1 ZINC000012198737 523949417 /nfs/dbraw/zinc/94/94/17/523949417.db2.gz HBXANENNAGTEGM-UHFFFAOYSA-N 2 1 447.019 4.752 50 0 IJAAMP O=C(CCC1CC[NH+](C/C=C/c2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012583936 526408747 /nfs/dbraw/zinc/40/87/47/526408747.db2.gz VMLPPBXRIXPTSZ-LDOPOZNOSA-N 2 1 431.624 4.583 50 0 IJAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1)C1CC[NH+](C)CC1 ZINC000012054405 556393572 /nfs/dbraw/zinc/39/35/72/556393572.db2.gz NLKZWFYVJIYNJT-JOCHJYFZSA-N 2 1 445.651 4.803 50 0 IJAAMP c1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1 ZINC000014948995 556460180 /nfs/dbraw/zinc/46/01/80/556460180.db2.gz PHRXMICIUOPZTR-HSZRJFAPSA-N 2 1 428.646 4.569 50 0 IJAAMP c1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2cccnc2)c1 ZINC000055284693 556739648 /nfs/dbraw/zinc/73/96/48/556739648.db2.gz MTCTUUMAWUVVJQ-UHFFFAOYSA-N 2 1 429.612 4.924 50 0 IJAAMP CCCn1ncc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020513378 521672363 /nfs/dbraw/zinc/67/23/63/521672363.db2.gz LDVSCPRIYRVWGN-DEOSSOPVSA-N 2 1 429.697 4.544 50 0 IJAAMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976278 /nfs/dbraw/zinc/97/62/78/523976278.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 2 1 426.564 4.872 50 0 IJAAMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976283 /nfs/dbraw/zinc/97/62/83/523976283.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 2 1 426.564 4.872 50 0 IJAAMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976286 /nfs/dbraw/zinc/97/62/86/523976286.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 2 1 426.564 4.872 50 0 IJAAMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710363 523976288 /nfs/dbraw/zinc/97/62/88/523976288.db2.gz SUOIAZFVHYNZNZ-HHHXNRCGSA-N 2 1 426.564 4.872 50 0 IJAAMP Cn1c2ccccc2nc1CN(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000020600967 527115718 /nfs/dbraw/zinc/11/57/18/527115718.db2.gz RRQXEYZLLSAJMS-QHCPKHFHSA-N 2 1 437.676 4.516 50 0 IJAAMP COCC[N@@H+](Cc1[nH]c2ccccc2c1C)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014976039 556468376 /nfs/dbraw/zinc/46/83/76/556468376.db2.gz UZKJRBWJIXONRL-QFIPXVFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[N@H+](Cc1[nH]c2ccccc2c1C)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014976039 556468377 /nfs/dbraw/zinc/46/83/77/556468377.db2.gz UZKJRBWJIXONRL-QFIPXVFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[NH+](Cc1[nH]c2ccccc2c1C)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014976039 556468379 /nfs/dbraw/zinc/46/83/79/556468379.db2.gz UZKJRBWJIXONRL-QFIPXVFZSA-N 2 1 431.624 4.804 50 0 IJAAMP COCC[NH+](Cc1[nH]c2ccccc2c1C)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014976039 556468382 /nfs/dbraw/zinc/46/83/82/556468382.db2.gz UZKJRBWJIXONRL-QFIPXVFZSA-N 2 1 431.624 4.804 50 0 IJAAMP C[NH+](C[C@H](O)COc1cccc(C[N@H+](C)Cc2ccnc3ccccc23)c1)C1CCCCC1 ZINC000055153667 556736372 /nfs/dbraw/zinc/73/63/72/556736372.db2.gz LCVAOUWFCHMFHF-VWLOTQADSA-N 2 1 447.623 4.871 50 0 IJAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153667 556736374 /nfs/dbraw/zinc/73/63/74/556736374.db2.gz LCVAOUWFCHMFHF-VWLOTQADSA-N 2 1 447.623 4.871 50 0 IJAAMP C[NH+](Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153667 556736375 /nfs/dbraw/zinc/73/63/75/556736375.db2.gz LCVAOUWFCHMFHF-VWLOTQADSA-N 2 1 447.623 4.871 50 0 IJAAMP Cc1ccccc1-c1ncc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000055199866 556737637 /nfs/dbraw/zinc/73/76/37/556737637.db2.gz QUPBVSFLJCQOEY-UHFFFAOYSA-N 2 1 432.587 4.978 50 0 IJAAMP CC[NH+]1CC2=C(O[C@@]3(O)CC[N@H+](CC)C[C@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000020028434 556967602 /nfs/dbraw/zinc/96/76/02/556967602.db2.gz PYWLMPHRWUDRKH-QQAMGDFDSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000020028434 556967605 /nfs/dbraw/zinc/96/76/05/556967605.db2.gz PYWLMPHRWUDRKH-QQAMGDFDSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000020028434 556967607 /nfs/dbraw/zinc/96/76/07/556967607.db2.gz PYWLMPHRWUDRKH-QQAMGDFDSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000229999495 557835076 /nfs/dbraw/zinc/83/50/76/557835076.db2.gz PYWLMPHRWUDRKH-BNQDLGRVSA-N 2 1 430.592 4.504 50 0 IJAAMP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948666 /nfs/dbraw/zinc/94/86/66/523948666.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948671 /nfs/dbraw/zinc/94/86/71/523948671.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948676 /nfs/dbraw/zinc/94/86/76/523948676.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)C2)cc1 ZINC000012301927 523948681 /nfs/dbraw/zinc/94/86/81/523948681.db2.gz MOEVWGGROVNUOW-NRFANRHFSA-N 2 1 436.575 4.611 50 0 IJAAMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012577228 525923568 /nfs/dbraw/zinc/92/35/68/525923568.db2.gz XNAAHOXFBDSHRM-NDEPHWFRSA-N 2 1 434.624 4.556 50 0 IJAAMP CCC[N@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)Cc1cccc(C)c1 ZINC000034835945 555913781 /nfs/dbraw/zinc/91/37/81/555913781.db2.gz VLTOWHJTRLYPBD-UHFFFAOYSA-N 2 1 449.618 4.792 50 0 IJAAMP CCC[N@@H+](Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)Cc1cccc(C)c1 ZINC000034835945 555913784 /nfs/dbraw/zinc/91/37/84/555913784.db2.gz VLTOWHJTRLYPBD-UHFFFAOYSA-N 2 1 449.618 4.792 50 0 IJAAMP Cc1oc2c(c1C(=O)N1CCC([NH+]3CCCCC3)CC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289699 569130598 /nfs/dbraw/zinc/13/05/98/569130598.db2.gz VQCGQWQCBZPZRC-UHFFFAOYSA-N 2 1 435.612 4.545 50 0 IJAAMP Cc1oc2c(c1C(=O)N1CCC([NH+]3CCCCC3)CC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289699 569130599 /nfs/dbraw/zinc/13/05/99/569130599.db2.gz VQCGQWQCBZPZRC-UHFFFAOYSA-N 2 1 435.612 4.545 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813536 556356874 /nfs/dbraw/zinc/35/68/74/556356874.db2.gz WPKDDBGLLIRLCS-VWLOTQADSA-N 2 1 445.607 4.816 50 0 IJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCC([N@@H+](C)C(C)C)CC3)c2c1C ZINC000058210567 556772301 /nfs/dbraw/zinc/77/23/01/556772301.db2.gz BWPRGNFSVYSWFC-UHFFFAOYSA-N 2 1 429.678 4.849 50 0 IJAAMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCC([N@H+](C)C(C)C)CC3)c2c1C ZINC000058210567 556772305 /nfs/dbraw/zinc/77/23/05/556772305.db2.gz BWPRGNFSVYSWFC-UHFFFAOYSA-N 2 1 429.678 4.849 50 0 IJAAMP COc1c(Br)cc(Br)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000061003151 557401500 /nfs/dbraw/zinc/40/15/00/557401500.db2.gz NNOMVTJBQQYWOI-UHFFFAOYSA-N 2 1 434.216 4.619 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012441062 521396317 /nfs/dbraw/zinc/39/63/17/521396317.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012441062 521396327 /nfs/dbraw/zinc/39/63/27/521396327.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012441062 521396338 /nfs/dbraw/zinc/39/63/38/521396338.db2.gz QMBPNUFXIBNIBI-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP COc1ccc(CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000012431803 523942339 /nfs/dbraw/zinc/94/23/39/523942339.db2.gz HEMDTEGFGVFDMG-UHFFFAOYSA-N 2 1 446.595 4.664 50 0 IJAAMP COc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000012049266 524013016 /nfs/dbraw/zinc/01/30/16/524013016.db2.gz WUHJFXUBGRCYOE-MUUNZHRXSA-N 2 1 434.624 4.556 50 0 IJAAMP Cc1cccc(-n2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000012706187 524144530 /nfs/dbraw/zinc/14/45/30/524144530.db2.gz ZGVPRJYPPCDKOU-UHFFFAOYSA-N 2 1 427.527 4.704 50 0 IJAAMP Fc1ccc(-n2cc(C[N@@H+](C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)cn2)cc1 ZINC000012710254 526320050 /nfs/dbraw/zinc/32/00/50/526320050.db2.gz QPTGQLRKAKLCFF-AREMUKBSSA-N 2 1 440.607 4.647 50 0 IJAAMP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)Cc2ccc3nonc3c2)CC1 ZINC000055119066 556735255 /nfs/dbraw/zinc/73/52/55/556735255.db2.gz VOHRDDXIQJYDEQ-UHFFFAOYSA-N 2 1 441.579 4.841 50 0 IJAAMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962555 /nfs/dbraw/zinc/96/25/55/520962555.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 2 1 431.020 4.618 50 0 IJAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962568 /nfs/dbraw/zinc/96/25/68/520962568.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 2 1 431.020 4.618 50 0 IJAAMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747425 520962579 /nfs/dbraw/zinc/96/25/79/520962579.db2.gz VMEDEOJSWKIIMZ-QFIPXVFZSA-N 2 1 431.020 4.618 50 0 IJAAMP CCCn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1 ZINC000012710487 521649588 /nfs/dbraw/zinc/64/95/88/521649588.db2.gz BOZTYSDTRWVXGT-MHZLTWQESA-N 2 1 438.660 4.803 50 0 IJAAMP Clc1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C3CCCC3)CC1)OCO2 ZINC000012748581 526930853 /nfs/dbraw/zinc/93/08/53/526930853.db2.gz GEIOXSOUFFZXNC-OAQYLSRUSA-N 2 1 435.008 4.704 50 0 IJAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348162 /nfs/dbraw/zinc/34/81/62/556348162.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348165 /nfs/dbraw/zinc/34/81/65/556348165.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348168 /nfs/dbraw/zinc/34/81/68/556348168.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 2 1 432.612 4.556 50 0 IJAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)C1 ZINC000011713161 556348171 /nfs/dbraw/zinc/34/81/71/556348171.db2.gz OBKCFIKGUZTUBY-HSZRJFAPSA-N 2 1 432.612 4.556 50 0 IJAAMP COc1ccc(CC[N@H+](Cc2cc(Cl)cc(OC)c2OC)CC2CC[NH+](C)CC2)cc1 ZINC000011817948 556360095 /nfs/dbraw/zinc/36/00/95/556360095.db2.gz NYWIJVMZMJPWML-UHFFFAOYSA-N 2 1 447.019 4.752 50 0 IJAAMP Fc1cccc(-c2n[nH]cc2C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000015069233 556494611 /nfs/dbraw/zinc/49/46/11/556494611.db2.gz UFGFLYXZJUNXIG-RUZDIDTESA-N 2 1 440.607 4.851 50 0 IJAAMP CC(C)Oc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000015078132 556499903 /nfs/dbraw/zinc/49/99/03/556499903.db2.gz XPNPQFTYGPLTIZ-AREMUKBSSA-N 2 1 444.660 4.602 50 0 IJAAMP CCn1cc(C[NH+]2CCC(C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c2ccccc21 ZINC000065060113 569095759 /nfs/dbraw/zinc/09/57/59/569095759.db2.gz GCZWQTZWOZXPPZ-UHFFFAOYSA-N 2 1 446.639 4.512 50 0 IJAAMP CCCCN(CC[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000019327724 569318278 /nfs/dbraw/zinc/31/82/78/569318278.db2.gz FUPHRLAFWMRUCX-UWHLTILDSA-N 2 1 426.476 4.975 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000019327724 569318279 /nfs/dbraw/zinc/31/82/79/569318279.db2.gz FUPHRLAFWMRUCX-UWHLTILDSA-N 2 1 426.476 4.975 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1 ZINC000019327724 569318280 /nfs/dbraw/zinc/31/82/80/569318280.db2.gz FUPHRLAFWMRUCX-UWHLTILDSA-N 2 1 426.476 4.975 50 0 IJAAMP CC(=O)c1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012578365 518422030 /nfs/dbraw/zinc/42/20/30/518422030.db2.gz MWSLGZZIFXOGJA-AREMUKBSSA-N 2 1 438.587 4.922 50 0 IJAAMP C[N@H+](Cc1ccc(Oc2ncccn2)cc1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012704792 523273363 /nfs/dbraw/zinc/27/33/63/523273363.db2.gz DCTXUKMKFMUOLV-UHFFFAOYSA-N 2 1 434.559 4.795 50 0 IJAAMP COCC[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012719115 523753761 /nfs/dbraw/zinc/75/37/61/523753761.db2.gz MPXAWGIETKTTSX-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012719115 523753768 /nfs/dbraw/zinc/75/37/68/523753768.db2.gz MPXAWGIETKTTSX-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012719115 523753781 /nfs/dbraw/zinc/75/37/81/523753781.db2.gz MPXAWGIETKTTSX-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[N@H+](Cc1cn(C)c2ccccc12)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000012373419 523771480 /nfs/dbraw/zinc/77/14/80/523771480.db2.gz OPRDIANULUCATF-UHFFFAOYSA-N 2 1 435.612 4.548 50 0 IJAAMP Cn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000011842451 556365854 /nfs/dbraw/zinc/36/58/54/556365854.db2.gz JCSLDPHKODMWCC-AREMUKBSSA-N 2 1 436.644 4.723 50 0 IJAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc(N(C)C)s2)CC(C)C)CC1 ZINC000012051528 556392478 /nfs/dbraw/zinc/39/24/78/556392478.db2.gz XIKHLFADKSSCSC-UHFFFAOYSA-N 2 1 430.662 4.588 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019229555 556718105 /nfs/dbraw/zinc/71/81/05/556718105.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019229555 556718109 /nfs/dbraw/zinc/71/81/09/556718109.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019229555 556718112 /nfs/dbraw/zinc/71/81/12/556718112.db2.gz IOCOPZOLONQLDT-DEOSSOPVSA-N 2 1 432.612 4.658 50 0 IJAAMP CCOc1c(Br)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000057653136 569440693 /nfs/dbraw/zinc/44/06/93/569440693.db2.gz PNXXNFYALHUZQS-UHFFFAOYSA-N 2 1 433.390 4.611 50 0 IJAAMP COc1cc(C)c(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1C ZINC000015002657 522191450 /nfs/dbraw/zinc/19/14/50/522191450.db2.gz PUTZKSOJSNOYFD-NRFANRHFSA-N 2 1 440.657 4.670 50 0 IJAAMP O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012593998 526409032 /nfs/dbraw/zinc/40/90/32/526409032.db2.gz IWQWGCMWFKVNJN-HHHXNRCGSA-N 2 1 433.640 4.502 50 0 IJAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1)C1CC[NH+](C)CC1 ZINC000014967801 556466025 /nfs/dbraw/zinc/46/60/25/556466025.db2.gz KYHCBCSKZVLRDV-HSZRJFAPSA-N 2 1 433.640 4.898 50 0 IJAAMP C[NH+](C)[C@@H](CNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)c1ccccc1 ZINC000013137401 556484452 /nfs/dbraw/zinc/48/44/52/556484452.db2.gz LHWKSJDFYFPPKI-FQEVSTJZSA-N 2 1 435.641 4.881 50 0 IJAAMP COCC[N@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055098954 556734366 /nfs/dbraw/zinc/73/43/66/556734366.db2.gz AJPDSHLCOANOTB-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055098954 556734367 /nfs/dbraw/zinc/73/43/67/556734367.db2.gz AJPDSHLCOANOTB-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055098954 556734369 /nfs/dbraw/zinc/73/43/69/556734369.db2.gz AJPDSHLCOANOTB-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP Cc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)o1 ZINC000015069310 568635114 /nfs/dbraw/zinc/63/51/14/568635114.db2.gz OLBCFWCQUZGUKN-SANMLTNESA-N 2 1 438.591 4.724 50 0 IJAAMP CC(=O)c1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012301922 518421086 /nfs/dbraw/zinc/42/10/86/518421086.db2.gz JLLGEFYVSXXRKY-LJAQVGFWSA-N 2 1 446.635 4.750 50 0 IJAAMP CC[N@@H+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012709430 521323319 /nfs/dbraw/zinc/32/33/19/521323319.db2.gz WELNWGIANNSANM-QHCPKHFHSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012709430 521323325 /nfs/dbraw/zinc/32/33/25/521323325.db2.gz WELNWGIANNSANM-QHCPKHFHSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012709430 521323330 /nfs/dbraw/zinc/32/33/30/521323330.db2.gz WELNWGIANNSANM-QHCPKHFHSA-N 2 1 428.592 4.757 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012709430 521323334 /nfs/dbraw/zinc/32/33/34/521323334.db2.gz WELNWGIANNSANM-QHCPKHFHSA-N 2 1 428.592 4.757 50 0 IJAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc(Cl)c1OC ZINC000012712193 522350437 /nfs/dbraw/zinc/35/04/37/522350437.db2.gz CYGUGSOEEHZSCQ-UHFFFAOYSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cc1O ZINC000012710438 524013647 /nfs/dbraw/zinc/01/36/47/524013647.db2.gz HBGOVGLKQAUXIJ-VWLOTQADSA-N 2 1 438.612 4.602 50 0 IJAAMP CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1C[N@H+](CC)Cc1ccccc1 ZINC000034836355 555914282 /nfs/dbraw/zinc/91/42/82/555914282.db2.gz NVFLQFJVJABENQ-UHFFFAOYSA-N 2 1 449.618 4.738 50 0 IJAAMP Cn1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000011842450 556365838 /nfs/dbraw/zinc/36/58/38/556365838.db2.gz JCSLDPHKODMWCC-SANMLTNESA-N 2 1 436.644 4.723 50 0 IJAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1)C1CC[NH+](C)CC1 ZINC000014967797 556465983 /nfs/dbraw/zinc/46/59/83/556465983.db2.gz KYHCBCSKZVLRDV-QHCPKHFHSA-N 2 1 433.640 4.898 50 0 IJAAMP COCC[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000055098952 556734202 /nfs/dbraw/zinc/73/42/02/556734202.db2.gz AJPDSHLCOANOTB-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055098952 556734207 /nfs/dbraw/zinc/73/42/07/556734207.db2.gz AJPDSHLCOANOTB-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000055098952 556734212 /nfs/dbraw/zinc/73/42/12/556734212.db2.gz AJPDSHLCOANOTB-QFIPXVFZSA-N 2 1 429.608 4.563 50 0 IJAAMP c1cc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1 ZINC000055090492 556734302 /nfs/dbraw/zinc/73/43/02/556734302.db2.gz FBLOFCAXJJTRPW-UHFFFAOYSA-N 2 1 435.641 4.986 50 0 IJAAMP C[N@@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000020211707 556998761 /nfs/dbraw/zinc/99/87/61/556998761.db2.gz NCZBVBRBLDZVJF-FQEVSTJZSA-N 2 1 429.033 4.974 50 0 IJAAMP C[N@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000020211707 556998764 /nfs/dbraw/zinc/99/87/64/556998764.db2.gz NCZBVBRBLDZVJF-FQEVSTJZSA-N 2 1 429.033 4.974 50 0 IJAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211707 556998767 /nfs/dbraw/zinc/99/87/67/556998767.db2.gz NCZBVBRBLDZVJF-FQEVSTJZSA-N 2 1 429.033 4.974 50 0 IJAAMP C[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000020211707 556998769 /nfs/dbraw/zinc/99/87/69/556998769.db2.gz NCZBVBRBLDZVJF-FQEVSTJZSA-N 2 1 429.033 4.974 50 0 IJAAMP COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C2)c1 ZINC000011816716 562979393 /nfs/dbraw/zinc/97/93/93/562979393.db2.gz PWRAGLQNSKYOBG-VWLOTQADSA-N 2 1 428.642 4.560 50 0 IJAAMP c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000013596873 562996654 /nfs/dbraw/zinc/99/66/54/562996654.db2.gz TXIMTUQQVICEGL-NRFANRHFSA-N 2 1 444.579 4.576 50 0 IJAAMP c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000013596873 562996655 /nfs/dbraw/zinc/99/66/55/562996655.db2.gz TXIMTUQQVICEGL-NRFANRHFSA-N 2 1 444.579 4.576 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC=C(Cl)C[C@H]2C1 ZINC000253487151 569283061 /nfs/dbraw/zinc/28/30/61/569283061.db2.gz FUPHRLAFWMRUCX-BURNTYAHSA-N 2 1 426.476 4.975 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC=C(Cl)C[C@H]2C1 ZINC000253487151 569283062 /nfs/dbraw/zinc/28/30/62/569283062.db2.gz FUPHRLAFWMRUCX-BURNTYAHSA-N 2 1 426.476 4.975 50 0 IJAAMP CC(=O)c1cc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000020599080 518275933 /nfs/dbraw/zinc/27/59/33/518275933.db2.gz LZZYWXVMNWOJHY-JOCHJYFZSA-N 2 1 431.690 4.893 50 0 IJAAMP CC(=O)c1cc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000020599079 518276581 /nfs/dbraw/zinc/27/65/81/518276581.db2.gz LZZYWXVMNWOJHY-QFIPXVFZSA-N 2 1 431.690 4.893 50 0 IJAAMP CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012507472 521322286 /nfs/dbraw/zinc/32/22/86/521322286.db2.gz ZATXUMBDPARCMZ-DEOSSOPVSA-N 2 1 440.628 4.627 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012507472 521322295 /nfs/dbraw/zinc/32/22/95/521322295.db2.gz ZATXUMBDPARCMZ-DEOSSOPVSA-N 2 1 440.628 4.627 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012507472 521322298 /nfs/dbraw/zinc/32/22/98/521322298.db2.gz ZATXUMBDPARCMZ-DEOSSOPVSA-N 2 1 440.628 4.627 50 0 IJAAMP CC[N@H+](Cc1ccc(OC)c(OC)c1OC)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012303295 521324789 /nfs/dbraw/zinc/32/47/89/521324789.db2.gz YRQMRRMULJJXEA-UHFFFAOYSA-N 2 1 440.628 4.797 50 0 IJAAMP COCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000012588752 522970258 /nfs/dbraw/zinc/97/02/58/522970258.db2.gz CMKOERGYWDEYDP-DEOSSOPVSA-N 2 1 426.601 4.628 50 0 IJAAMP Cn1c2ccccc2nc1CN(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000020600968 527114845 /nfs/dbraw/zinc/11/48/45/527114845.db2.gz RRQXEYZLLSAJMS-HSZRJFAPSA-N 2 1 437.676 4.516 50 0 IJAAMP C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072416 556396180 /nfs/dbraw/zinc/39/61/80/556396180.db2.gz HUWJIHFFBLPXSN-TWXKGHLFSA-N 2 1 435.612 4.520 50 0 IJAAMP C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072416 556396183 /nfs/dbraw/zinc/39/61/83/556396183.db2.gz HUWJIHFFBLPXSN-TWXKGHLFSA-N 2 1 435.612 4.520 50 0 IJAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n(-c2nccs2)c1 ZINC000014948992 556460243 /nfs/dbraw/zinc/46/02/43/556460243.db2.gz PHRXMICIUOPZTR-QHCPKHFHSA-N 2 1 428.646 4.569 50 0 IJAAMP COc1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(C)c1C ZINC000014976539 556468872 /nfs/dbraw/zinc/46/88/72/556468872.db2.gz KVIVZUDUPUTTCK-QFIPXVFZSA-N 2 1 440.657 4.670 50 0 IJAAMP Fc1cccc(-c2n[nH]cc2C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000015069232 556494588 /nfs/dbraw/zinc/49/45/88/556494588.db2.gz UFGFLYXZJUNXIG-VWLOTQADSA-N 2 1 440.607 4.851 50 0 IJAAMP C[N@@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000055061159 556733509 /nfs/dbraw/zinc/73/35/09/556733509.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000055061159 556733515 /nfs/dbraw/zinc/73/35/15/556733515.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[NH+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000055061159 556733518 /nfs/dbraw/zinc/73/35/18/556733518.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[NH+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000055061159 556733521 /nfs/dbraw/zinc/73/35/21/556733521.db2.gz IKVAVGQWIKQJNS-JOCHJYFZSA-N 2 1 434.559 4.795 50 0 IJAAMP CC(C)CCN1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322805 556797778 /nfs/dbraw/zinc/79/77/78/556797778.db2.gz YSAUPWXIHXWENX-XNMGPUDCSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322805 556797780 /nfs/dbraw/zinc/79/77/80/556797780.db2.gz YSAUPWXIHXWENX-XNMGPUDCSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322805 556797781 /nfs/dbraw/zinc/79/77/81/556797781.db2.gz YSAUPWXIHXWENX-XNMGPUDCSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(=O)Nc1ccc(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000020472144 519715711 /nfs/dbraw/zinc/71/57/11/519715711.db2.gz NODFZGJOKZYFKL-VWLOTQADSA-N 2 1 440.676 4.588 50 0 IJAAMP CCCn1ncc(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1C ZINC000020513381 521671904 /nfs/dbraw/zinc/67/19/04/521671904.db2.gz LDVSCPRIYRVWGN-XMMPIXPASA-N 2 1 429.697 4.544 50 0 IJAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)s2)C1)C1CC[NH+](C)CC1 ZINC000012713179 523807885 /nfs/dbraw/zinc/80/78/85/523807885.db2.gz MQQVIKINQFBGOF-FQEVSTJZSA-N 2 1 431.690 4.951 50 0 IJAAMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)c2)o1 ZINC000012227433 525756805 /nfs/dbraw/zinc/75/68/05/525756805.db2.gz ZTPGGXOQWWSIAW-QFIPXVFZSA-N 2 1 437.628 4.800 50 0 IJAAMP COc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c(C)c1C ZINC000014976534 556468779 /nfs/dbraw/zinc/46/87/79/556468779.db2.gz KVIVZUDUPUTTCK-JOCHJYFZSA-N 2 1 440.657 4.670 50 0 IJAAMP CC[N@@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020542620 521394509 /nfs/dbraw/zinc/39/45/09/521394509.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020542620 521394522 /nfs/dbraw/zinc/39/45/22/521394522.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020542620 521394536 /nfs/dbraw/zinc/39/45/36/521394536.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 2 1 426.605 4.850 50 0 IJAAMP CC[NH+](Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020542620 521394546 /nfs/dbraw/zinc/39/45/46/521394546.db2.gz VUVZNYJHNUAHSS-NRFANRHFSA-N 2 1 426.605 4.850 50 0 IJAAMP CCCn1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1 ZINC000012710491 521649769 /nfs/dbraw/zinc/64/97/69/521649769.db2.gz BOZTYSDTRWVXGT-HHHXNRCGSA-N 2 1 438.660 4.803 50 0 IJAAMP Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](CCC(=O)N(C)C4CC[NH+](C)CC4)C3)c2)o1 ZINC000012227442 525756483 /nfs/dbraw/zinc/75/64/83/525756483.db2.gz ZTPGGXOQWWSIAW-JOCHJYFZSA-N 2 1 437.628 4.800 50 0 IJAAMP O=C(Nc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1)c1ccccc1Cl ZINC000017318141 557057602 /nfs/dbraw/zinc/05/76/02/557057602.db2.gz FLUSHTUMKWZGDO-UHFFFAOYSA-N 2 1 449.982 4.714 50 0 IJAAMP CC[NH+]1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@@H]3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000105416230 568905378 /nfs/dbraw/zinc/90/53/78/568905378.db2.gz PYWLMPHRWUDRKH-MDDZELJASA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000105416230 568905380 /nfs/dbraw/zinc/90/53/80/568905380.db2.gz PYWLMPHRWUDRKH-MDDZELJASA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000105416230 568905382 /nfs/dbraw/zinc/90/53/82/568905382.db2.gz PYWLMPHRWUDRKH-MDDZELJASA-N 2 1 430.592 4.504 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000253487150 569283034 /nfs/dbraw/zinc/28/30/34/569283034.db2.gz FUPHRLAFWMRUCX-BQJUDKOJSA-N 2 1 426.476 4.975 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC(Cl)=CC[C@@H]2C1 ZINC000253487150 569283035 /nfs/dbraw/zinc/28/30/35/569283035.db2.gz FUPHRLAFWMRUCX-BQJUDKOJSA-N 2 1 426.476 4.975 50 0 IJAAMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747428 520960694 /nfs/dbraw/zinc/96/06/94/520960694.db2.gz VMEDEOJSWKIIMZ-JOCHJYFZSA-N 2 1 431.020 4.618 50 0 IJAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747428 520960706 /nfs/dbraw/zinc/96/07/06/520960706.db2.gz VMEDEOJSWKIIMZ-JOCHJYFZSA-N 2 1 431.020 4.618 50 0 IJAAMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1CO ZINC000012747428 520960715 /nfs/dbraw/zinc/96/07/15/520960715.db2.gz VMEDEOJSWKIIMZ-JOCHJYFZSA-N 2 1 431.020 4.618 50 0 IJAAMP C[N@@H+](Cc1ccncc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012151712 523461565 /nfs/dbraw/zinc/46/15/65/523461565.db2.gz ONLJLXQZTLVKPS-SANMLTNESA-N 2 1 443.591 4.766 50 0 IJAAMP Fc1ccc(-n2cc(C[N@@H+](C[C@@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)cn2)cc1 ZINC000012710250 526320035 /nfs/dbraw/zinc/32/00/35/526320035.db2.gz QPTGQLRKAKLCFF-SANMLTNESA-N 2 1 440.607 4.647 50 0 IJAAMP O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014134633 556374878 /nfs/dbraw/zinc/37/48/78/556374878.db2.gz HVUIZZCOMOSXFJ-FQEVSTJZSA-N 2 1 434.609 4.710 50 0 IJAAMP O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014134633 556374882 /nfs/dbraw/zinc/37/48/82/556374882.db2.gz HVUIZZCOMOSXFJ-FQEVSTJZSA-N 2 1 434.609 4.710 50 0 IJAAMP O=C(CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012049336 556392088 /nfs/dbraw/zinc/39/20/88/556392088.db2.gz MJOAHUVHSWDYQJ-HXNBDSKHSA-N 2 1 431.624 4.536 50 0 IJAAMP O=C(CC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012049336 556392090 /nfs/dbraw/zinc/39/20/90/556392090.db2.gz MJOAHUVHSWDYQJ-HXNBDSKHSA-N 2 1 431.624 4.536 50 0 IJAAMP O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000015008101 556482310 /nfs/dbraw/zinc/48/23/10/556482310.db2.gz ROAPUTOJPNURSI-JOCHJYFZSA-N 2 1 439.550 4.670 50 0 IJAAMP Cc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@H+](C)Cc3cn(C)nc3C)CC2)o1 ZINC000015069312 568635377 /nfs/dbraw/zinc/63/53/77/568635377.db2.gz OLBCFWCQUZGUKN-AREMUKBSSA-N 2 1 438.591 4.724 50 0 IJAAMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1OCc1c(C)noc1C ZINC000013130159 569125431 /nfs/dbraw/zinc/12/54/31/569125431.db2.gz ILKJCYDOOPBPKF-UHFFFAOYSA-N 2 1 435.568 4.633 50 0 IJAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000020204325 520977840 /nfs/dbraw/zinc/97/78/40/520977840.db2.gz LQGANQABHXYDCL-UHFFFAOYSA-N 2 1 437.603 4.761 50 0 IJAAMP CC[N@@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012595196 521276325 /nfs/dbraw/zinc/27/63/25/521276325.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 2 1 426.649 4.866 50 0 IJAAMP CC[N@H+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012595196 521276338 /nfs/dbraw/zinc/27/63/38/521276338.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 2 1 426.649 4.866 50 0 IJAAMP CC[NH+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012595196 521276350 /nfs/dbraw/zinc/27/63/50/521276350.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 2 1 426.649 4.866 50 0 IJAAMP CC[NH+](Cc1c(C)nn(C(C)C)c1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012595196 521276361 /nfs/dbraw/zinc/27/63/61/521276361.db2.gz PYWXQKKERZYCCV-DEOSSOPVSA-N 2 1 426.649 4.866 50 0 IJAAMP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012055398 556393857 /nfs/dbraw/zinc/39/38/57/556393857.db2.gz JTXBGJQFSRIQOW-UHFFFAOYSA-N 2 1 447.019 4.752 50 0 IJAAMP CC[NH+]1CC2=C(O[C@@]3(O)CC[N@H+](CC)C[C@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000229999505 556434241 /nfs/dbraw/zinc/43/42/41/556434241.db2.gz PYWLMPHRWUDRKH-MVISXJEUSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000229999505 556434245 /nfs/dbraw/zinc/43/42/45/556434245.db2.gz PYWLMPHRWUDRKH-MVISXJEUSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000229999505 556434248 /nfs/dbraw/zinc/43/42/48/556434248.db2.gz PYWLMPHRWUDRKH-MVISXJEUSA-N 2 1 430.592 4.504 50 0 IJAAMP CC(C)Oc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1CO ZINC000015078131 556499923 /nfs/dbraw/zinc/49/99/23/556499923.db2.gz XPNPQFTYGPLTIZ-SANMLTNESA-N 2 1 444.660 4.602 50 0 IJAAMP CC[N@H+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019229556 556718146 /nfs/dbraw/zinc/71/81/46/556718146.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019229556 556718149 /nfs/dbraw/zinc/71/81/49/556718149.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP CC[NH+](Cc1cccn1-c1cccnc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019229556 556718152 /nfs/dbraw/zinc/71/81/52/556718152.db2.gz IOCOPZOLONQLDT-XMMPIXPASA-N 2 1 432.612 4.658 50 0 IJAAMP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1OC ZINC000057653012 569440689 /nfs/dbraw/zinc/44/06/89/569440689.db2.gz DEHHBHPKAHHHSN-UHFFFAOYSA-N 2 1 433.390 4.611 50 0 IJAAMP C[N@@H+](Cc1ccncc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012151713 523465228 /nfs/dbraw/zinc/46/52/28/523465228.db2.gz ONLJLXQZTLVKPS-AREMUKBSSA-N 2 1 443.591 4.766 50 0 IJAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(Cl)c1OC ZINC000012717039 524002931 /nfs/dbraw/zinc/00/29/31/524002931.db2.gz RYRZMMQCTJFDEB-UHFFFAOYSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cc1O ZINC000012710442 524013205 /nfs/dbraw/zinc/01/32/05/524013205.db2.gz HBGOVGLKQAUXIJ-RUZDIDTESA-N 2 1 438.612 4.602 50 0 IJAAMP O=C(CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012049332 556391773 /nfs/dbraw/zinc/39/17/73/556391773.db2.gz MJOAHUVHSWDYQJ-PPJFHAJBSA-N 2 1 431.624 4.536 50 0 IJAAMP O=C(CC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012049332 556391779 /nfs/dbraw/zinc/39/17/79/556391779.db2.gz MJOAHUVHSWDYQJ-PPJFHAJBSA-N 2 1 431.624 4.536 50 0 IJAAMP Fc1ccccc1-n1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000014958122 556463043 /nfs/dbraw/zinc/46/30/43/556463043.db2.gz UELXLJLQXNZWKK-XMMPIXPASA-N 2 1 440.607 4.647 50 0 IJAAMP CC(C)CCN1CC[C@@H]([N@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509775 556629374 /nfs/dbraw/zinc/62/93/74/556629374.db2.gz YSAUPWXIHXWENX-BDYUSTAISA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@@H]([NH+]2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509775 556629377 /nfs/dbraw/zinc/62/93/77/556629377.db2.gz YSAUPWXIHXWENX-BDYUSTAISA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@@H]([NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000039509775 556629380 /nfs/dbraw/zinc/62/93/80/556629380.db2.gz YSAUPWXIHXWENX-BDYUSTAISA-N 2 1 425.661 4.792 50 0 IJAAMP COCCN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011813805 556658086 /nfs/dbraw/zinc/65/80/86/556658086.db2.gz DWJUWGSYTWVMLH-NRFANRHFSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011813805 556658089 /nfs/dbraw/zinc/65/80/89/556658089.db2.gz DWJUWGSYTWVMLH-NRFANRHFSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011813805 556658090 /nfs/dbraw/zinc/65/80/90/556658090.db2.gz DWJUWGSYTWVMLH-NRFANRHFSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011813805 556658093 /nfs/dbraw/zinc/65/80/93/556658093.db2.gz DWJUWGSYTWVMLH-NRFANRHFSA-N 2 1 444.566 4.616 50 0 IJAAMP COCC[NH+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011813805 556658095 /nfs/dbraw/zinc/65/80/95/556658095.db2.gz DWJUWGSYTWVMLH-NRFANRHFSA-N 2 1 444.566 4.616 50 0 IJAAMP Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000067868309 556847265 /nfs/dbraw/zinc/84/72/65/556847265.db2.gz LRRVFBGTFOQUQS-UHFFFAOYSA-N 2 1 447.579 4.987 50 0 IJAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1-c1ccc(F)cc1 ZINC000012304189 520977239 /nfs/dbraw/zinc/97/72/39/520977239.db2.gz CQJJWVFIZPBCKY-UHFFFAOYSA-N 2 1 437.603 4.761 50 0 IJAAMP COCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000012588759 522969088 /nfs/dbraw/zinc/96/90/88/522969088.db2.gz CMKOERGYWDEYDP-XMMPIXPASA-N 2 1 426.601 4.628 50 0 IJAAMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012577233 525925288 /nfs/dbraw/zinc/92/52/88/525925288.db2.gz XNAAHOXFBDSHRM-MUUNZHRXSA-N 2 1 434.624 4.556 50 0 IJAAMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133419 556735806 /nfs/dbraw/zinc/73/58/06/556735806.db2.gz NLCXYBYOMZRXHQ-FQEVSTJZSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133419 556735808 /nfs/dbraw/zinc/73/58/08/556735808.db2.gz NLCXYBYOMZRXHQ-FQEVSTJZSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133419 556735811 /nfs/dbraw/zinc/73/58/11/556735811.db2.gz NLCXYBYOMZRXHQ-FQEVSTJZSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133419 556735812 /nfs/dbraw/zinc/73/58/12/556735812.db2.gz NLCXYBYOMZRXHQ-FQEVSTJZSA-N 2 1 436.518 4.806 50 0 IJAAMP CSc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000020119726 556987468 /nfs/dbraw/zinc/98/74/68/556987468.db2.gz PZEMONXYVSIBEW-UHFFFAOYSA-N 2 1 438.685 4.612 50 0 IJAAMP Fc1ccc(-n2cccn2)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096792294 557205102 /nfs/dbraw/zinc/20/51/02/557205102.db2.gz ULYAXOCSZGGIKS-VWLOTQADSA-N 2 1 440.607 4.647 50 0 IJAAMP Nc1[nH+]cnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](C[NH+]2CCC2)C1 ZINC000100073728 557239860 /nfs/dbraw/zinc/23/98/60/557239860.db2.gz AECDBHGVIIRMOI-GRGXKFILSA-N 2 1 439.563 4.916 50 0 in-vitro IJAAMP COc1cccc(C[C@]2(CO)CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C2)c1 ZINC000011816717 562979446 /nfs/dbraw/zinc/97/94/46/562979446.db2.gz PWRAGLQNSKYOBG-RUZDIDTESA-N 2 1 428.642 4.560 50 0 IJAAMP CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012301865 521282710 /nfs/dbraw/zinc/28/27/10/521282710.db2.gz AOTDXGUYZPPCSX-HSZRJFAPSA-N 2 1 432.612 4.862 50 0 IJAAMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012301865 521282718 /nfs/dbraw/zinc/28/27/18/521282718.db2.gz AOTDXGUYZPPCSX-HSZRJFAPSA-N 2 1 432.612 4.862 50 0 IJAAMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012301865 521282721 /nfs/dbraw/zinc/28/27/21/521282721.db2.gz AOTDXGUYZPPCSX-HSZRJFAPSA-N 2 1 432.612 4.862 50 0 IJAAMP CC[N@H+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012507474 521322938 /nfs/dbraw/zinc/32/29/38/521322938.db2.gz ZATXUMBDPARCMZ-XMMPIXPASA-N 2 1 440.628 4.627 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012507474 521322946 /nfs/dbraw/zinc/32/29/46/521322946.db2.gz ZATXUMBDPARCMZ-XMMPIXPASA-N 2 1 440.628 4.627 50 0 IJAAMP CC[NH+](Cc1ccc(OC)c(COC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012507474 521322950 /nfs/dbraw/zinc/32/29/50/521322950.db2.gz ZATXUMBDPARCMZ-XMMPIXPASA-N 2 1 440.628 4.627 50 0 IJAAMP CN1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3cccc(Cl)c3)CC2)CC1 ZINC000012434992 523766718 /nfs/dbraw/zinc/76/67/18/523766718.db2.gz SKLFEAPWGXQLFM-UHFFFAOYSA-N 2 1 427.036 4.543 50 0 IJAAMP O=C(c1cccc(F)c1F)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000011662484 556343985 /nfs/dbraw/zinc/34/39/85/556343985.db2.gz ARZNMIKTJGJYKX-HXUWFJFHSA-N 2 1 433.587 4.548 50 0 IJAAMP O=C(c1cccc(F)c1F)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000011662485 556344033 /nfs/dbraw/zinc/34/40/33/556344033.db2.gz ARZNMIKTJGJYKX-FQEVSTJZSA-N 2 1 433.587 4.548 50 0 IJAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)CC1 ZINC000011933697 556377380 /nfs/dbraw/zinc/37/73/80/556377380.db2.gz CMGGAJCRTYIQHR-QHCPKHFHSA-N 2 1 435.612 4.887 50 0 IJAAMP O=C(CC[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011934342 556377590 /nfs/dbraw/zinc/37/75/90/556377590.db2.gz GBRDIYHRTBWTSG-DEOSSOPVSA-N 2 1 444.623 4.505 50 0 IJAAMP O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011934342 556377594 /nfs/dbraw/zinc/37/75/94/556377594.db2.gz GBRDIYHRTBWTSG-DEOSSOPVSA-N 2 1 444.623 4.505 50 0 IJAAMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014978319 557351929 /nfs/dbraw/zinc/35/19/29/557351929.db2.gz DBBLDKCWMBZUHA-HHHXNRCGSA-N 2 1 434.624 4.556 50 0 IJAAMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000089340316 568921246 /nfs/dbraw/zinc/92/12/46/568921246.db2.gz JTHDTLRHGUCKSW-CBQGHPETSA-N 2 1 442.003 4.805 50 0 IJAAMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000089340316 568921247 /nfs/dbraw/zinc/92/12/47/568921247.db2.gz JTHDTLRHGUCKSW-CBQGHPETSA-N 2 1 442.003 4.805 50 0 IJAAMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000089340316 568921249 /nfs/dbraw/zinc/92/12/49/568921249.db2.gz JTHDTLRHGUCKSW-CBQGHPETSA-N 2 1 442.003 4.805 50 0 IJAAMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710369 523995413 /nfs/dbraw/zinc/99/54/13/523995413.db2.gz SUOIAZFVHYNZNZ-MHZLTWQESA-N 2 1 426.564 4.872 50 0 IJAAMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710369 523995417 /nfs/dbraw/zinc/99/54/17/523995417.db2.gz SUOIAZFVHYNZNZ-MHZLTWQESA-N 2 1 426.564 4.872 50 0 IJAAMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710369 523995421 /nfs/dbraw/zinc/99/54/21/523995421.db2.gz SUOIAZFVHYNZNZ-MHZLTWQESA-N 2 1 426.564 4.872 50 0 IJAAMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cc4ccccc4o3)C2)C1 ZINC000012710369 523995427 /nfs/dbraw/zinc/99/54/27/523995427.db2.gz SUOIAZFVHYNZNZ-MHZLTWQESA-N 2 1 426.564 4.872 50 0 IJAAMP COc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1 ZINC000012128310 524024178 /nfs/dbraw/zinc/02/41/78/524024178.db2.gz MOUWLLCWSPSWAS-NDEPHWFRSA-N 2 1 446.639 4.692 50 0 IJAAMP Cc1ccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2cccs2)cc1 ZINC000012766993 525773648 /nfs/dbraw/zinc/77/36/48/525773648.db2.gz GADGSAWEAJMXJS-AREMUKBSSA-N 2 1 433.621 4.516 50 0 IJAAMP Fc1ccc(-c2n[nH]cc2C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012317515 526314726 /nfs/dbraw/zinc/31/47/26/526314726.db2.gz RPWWUWYKWALWHU-RUZDIDTESA-N 2 1 440.607 4.851 50 0 IJAAMP Fc1ccc(-c2n[nH]cc2C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012317514 526315291 /nfs/dbraw/zinc/31/52/91/526315291.db2.gz RPWWUWYKWALWHU-VWLOTQADSA-N 2 1 440.607 4.851 50 0 IJAAMP C[N@@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000055061158 556733613 /nfs/dbraw/zinc/73/36/13/556733613.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000055061158 556733614 /nfs/dbraw/zinc/73/36/14/556733614.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[NH+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000055061158 556733616 /nfs/dbraw/zinc/73/36/16/556733616.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 2 1 434.559 4.795 50 0 IJAAMP C[NH+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000055061158 556733618 /nfs/dbraw/zinc/73/36/18/556733618.db2.gz IKVAVGQWIKQJNS-QFIPXVFZSA-N 2 1 434.559 4.795 50 0 IJAAMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734357 /nfs/dbraw/zinc/73/43/57/556734357.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734358 /nfs/dbraw/zinc/73/43/58/556734358.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734360 /nfs/dbraw/zinc/73/43/60/556734360.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 2 1 434.983 4.883 50 0 IJAAMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc(Cl)c1OC ZINC000055099209 556734361 /nfs/dbraw/zinc/73/43/61/556734361.db2.gz WNEILMVLUGZDDP-SFHVURJKSA-N 2 1 434.983 4.883 50 0 IJAAMP C[NH+](C[C@@H](O)COc1cccc(C[N@H+](C)Cc2ccnc3ccccc23)c1)C1CCCCC1 ZINC000055153665 556736407 /nfs/dbraw/zinc/73/64/07/556736407.db2.gz LCVAOUWFCHMFHF-RUZDIDTESA-N 2 1 447.623 4.871 50 0 IJAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153665 556736408 /nfs/dbraw/zinc/73/64/08/556736408.db2.gz LCVAOUWFCHMFHF-RUZDIDTESA-N 2 1 447.623 4.871 50 0 IJAAMP C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1ccnc2ccccc12 ZINC000055153665 556736409 /nfs/dbraw/zinc/73/64/09/556736409.db2.gz LCVAOUWFCHMFHF-RUZDIDTESA-N 2 1 447.623 4.871 50 0 IJAAMP O=C(CCC1CC[NH+](CCCc2ccccc2)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012594004 526407888 /nfs/dbraw/zinc/40/78/88/526407888.db2.gz IWQWGCMWFKVNJN-MHZLTWQESA-N 2 1 433.640 4.502 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813539 556356847 /nfs/dbraw/zinc/35/68/47/556356847.db2.gz WPKDDBGLLIRLCS-RUZDIDTESA-N 2 1 445.607 4.816 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015064425 556491727 /nfs/dbraw/zinc/49/17/27/556491727.db2.gz OYKVHZMTYHYLAL-RUZDIDTESA-N 2 1 444.623 4.551 50 0 IJAAMP CC(C)CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322802 556797760 /nfs/dbraw/zinc/79/77/60/556797760.db2.gz YSAUPWXIHXWENX-AHKZPQOWSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322802 556797763 /nfs/dbraw/zinc/79/77/63/556797763.db2.gz YSAUPWXIHXWENX-AHKZPQOWSA-N 2 1 425.661 4.792 50 0 IJAAMP CC(C)CCN1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)CCC1=O ZINC000059322802 556797767 /nfs/dbraw/zinc/79/77/67/556797767.db2.gz YSAUPWXIHXWENX-AHKZPQOWSA-N 2 1 425.661 4.792 50 0 IJAAMP Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)o1 ZINC000011662757 557237294 /nfs/dbraw/zinc/23/72/94/557237294.db2.gz NDUMTRCQFDTDAN-QFIPXVFZSA-N 2 1 437.628 4.800 50 0 IJAAMP CC[NH+]1CC2=C(O[C@]3(O)CC[N@H+](CC)C[C@@H]3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000105416232 568905487 /nfs/dbraw/zinc/90/54/87/568905487.db2.gz PYWLMPHRWUDRKH-HYVWFLNHSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@H]2C1 ZINC000105416232 568905489 /nfs/dbraw/zinc/90/54/89/568905489.db2.gz PYWLMPHRWUDRKH-HYVWFLNHSA-N 2 1 430.592 4.504 50 0 IJAAMP CC[NH+]1CC[C@@]2(O)OC3=C(C[N@@H+](CC)C/C3=C\c3ccccc3)[C@H](c3ccccc3)[C@H]2C1 ZINC000105416232 568905490 /nfs/dbraw/zinc/90/54/90/568905490.db2.gz PYWLMPHRWUDRKH-HYVWFLNHSA-N 2 1 430.592 4.504 50 0 IJAAMP CC(=O)c1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000012578358 518421540 /nfs/dbraw/zinc/42/15/40/518421540.db2.gz MWSLGZZIFXOGJA-SANMLTNESA-N 2 1 438.587 4.922 50 0 IJAAMP COCC[N@H+](C/C=C/c1ccc(OC)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020449338 523640584 /nfs/dbraw/zinc/64/05/84/523640584.db2.gz DFLFBOUKLMEJKV-COIATFDQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[N@@H+](C/C=C/c1ccc(OC)cc1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020449338 523640591 /nfs/dbraw/zinc/64/05/91/523640591.db2.gz DFLFBOUKLMEJKV-COIATFDQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[NH+](C/C=C/c1ccc(OC)cc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020449338 523640601 /nfs/dbraw/zinc/64/06/01/523640601.db2.gz DFLFBOUKLMEJKV-COIATFDQSA-N 2 1 434.624 4.536 50 0 IJAAMP COCC[NH+](C/C=C/c1ccc(OC)cc1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020449338 523640611 /nfs/dbraw/zinc/64/06/11/523640611.db2.gz DFLFBOUKLMEJKV-COIATFDQSA-N 2 1 434.624 4.536 50 0 IJAAMP COc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)cc1 ZINC000012128304 524024036 /nfs/dbraw/zinc/02/40/36/524024036.db2.gz MOUWLLCWSPSWAS-MUUNZHRXSA-N 2 1 446.639 4.692 50 0 IJAAMP Cc1cccc(-n2ccnc2C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012303694 524143967 /nfs/dbraw/zinc/14/39/67/524143967.db2.gz NXEZIXCCSAGFHV-SANMLTNESA-N 2 1 436.644 4.816 50 0 IJAAMP Cc1cccc(-n2ccnc2C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012303694 524143974 /nfs/dbraw/zinc/14/39/74/524143974.db2.gz NXEZIXCCSAGFHV-SANMLTNESA-N 2 1 436.644 4.816 50 0 IJAAMP Cc1c(Nc2ccc(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113461 525878922 /nfs/dbraw/zinc/87/89/22/525878922.db2.gz FWQFLYLTQNFMFC-NRFANRHFSA-N 2 1 447.627 4.582 50 0 IJAAMP Fc1ccc(-n2cccn2)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096792295 557205164 /nfs/dbraw/zinc/20/51/64/557205164.db2.gz ULYAXOCSZGGIKS-RUZDIDTESA-N 2 1 440.607 4.647 50 0 IJAAMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014978316 557351631 /nfs/dbraw/zinc/35/16/31/557351631.db2.gz DBBLDKCWMBZUHA-MHZLTWQESA-N 2 1 434.624 4.556 50 0 IJAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C3CCCC3)s2)C1)C1CC[NH+](C)CC1 ZINC000012713187 523808048 /nfs/dbraw/zinc/80/80/48/523808048.db2.gz MQQVIKINQFBGOF-HXUWFJFHSA-N 2 1 431.690 4.951 50 0 IJAAMP Fc1ccccc1-n1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000014958118 556463086 /nfs/dbraw/zinc/46/30/86/556463086.db2.gz UELXLJLQXNZWKK-DEOSSOPVSA-N 2 1 440.607 4.647 50 0 IJAAMP CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012301864 521283337 /nfs/dbraw/zinc/28/33/37/521283337.db2.gz AOTDXGUYZPPCSX-QHCPKHFHSA-N 2 1 432.612 4.862 50 0 IJAAMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012301864 521283347 /nfs/dbraw/zinc/28/33/47/521283347.db2.gz AOTDXGUYZPPCSX-QHCPKHFHSA-N 2 1 432.612 4.862 50 0 IJAAMP CC[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012301864 521283354 /nfs/dbraw/zinc/28/33/54/521283354.db2.gz AOTDXGUYZPPCSX-QHCPKHFHSA-N 2 1 432.612 4.862 50 0 IJAAMP O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000011813300 556356399 /nfs/dbraw/zinc/35/63/99/556356399.db2.gz HQFLGVKXRRAHLP-OAQYLSRUSA-N 2 1 446.060 4.784 50 0 IJAAMP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccn2-c2ncccn2)CC(C)C)CC1 ZINC000015077751 556499893 /nfs/dbraw/zinc/49/98/93/556499893.db2.gz JGAHWUWEEIUFKR-UHFFFAOYSA-N 2 1 447.627 4.646 50 0 IJAAMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133422 556735776 /nfs/dbraw/zinc/73/57/76/556735776.db2.gz NLCXYBYOMZRXHQ-HXUWFJFHSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133422 556735778 /nfs/dbraw/zinc/73/57/78/556735778.db2.gz NLCXYBYOMZRXHQ-HXUWFJFHSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133422 556735779 /nfs/dbraw/zinc/73/57/79/556735779.db2.gz NLCXYBYOMZRXHQ-HXUWFJFHSA-N 2 1 436.518 4.806 50 0 IJAAMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000055133422 556735781 /nfs/dbraw/zinc/73/57/81/556735781.db2.gz NLCXYBYOMZRXHQ-HXUWFJFHSA-N 2 1 436.518 4.806 50 0 IJAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)Cc2cccc3nonc32)CC1 ZINC000055252882 556738859 /nfs/dbraw/zinc/73/88/59/556738859.db2.gz LDJXPPLCBKYBLC-UHFFFAOYSA-N 2 1 441.579 4.841 50 0 IJAAMP Cc1ccccc1-c1ncc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000055280898 556739274 /nfs/dbraw/zinc/73/92/74/556739274.db2.gz BWNVXASUCSTAQJ-UHFFFAOYSA-N 2 1 432.587 4.978 50 0 IJAAMP COCC[N@H+](Cc1cccc2cccnc21)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012719116 523752920 /nfs/dbraw/zinc/75/29/20/523752920.db2.gz MPXAWGIETKTTSX-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012719116 523752928 /nfs/dbraw/zinc/75/29/28/523752928.db2.gz MPXAWGIETKTTSX-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP COCC[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012719116 523752937 /nfs/dbraw/zinc/75/29/37/523752937.db2.gz MPXAWGIETKTTSX-JOCHJYFZSA-N 2 1 429.608 4.563 50 0 IJAAMP Cc1cccc(-n2ccnc2C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012303695 524144837 /nfs/dbraw/zinc/14/48/37/524144837.db2.gz NXEZIXCCSAGFHV-AREMUKBSSA-N 2 1 436.644 4.816 50 0 IJAAMP Cc1cccc(-n2ccnc2C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012303695 524144843 /nfs/dbraw/zinc/14/48/43/524144843.db2.gz NXEZIXCCSAGFHV-AREMUKBSSA-N 2 1 436.644 4.816 50 0 IJAAMP Cc1c(Nc2ccc(C[NH2+]CCC[N@@H+]3CCCC[C@H]3C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013113460 525878729 /nfs/dbraw/zinc/87/87/29/525878729.db2.gz FWQFLYLTQNFMFC-OAQYLSRUSA-N 2 1 447.627 4.582 50 0 IJAAMP C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072415 556396148 /nfs/dbraw/zinc/39/61/48/556396148.db2.gz HUWJIHFFBLPXSN-OHHYDVLYSA-N 2 1 435.612 4.520 50 0 IJAAMP C/C(=C\c1ccco1)C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012072415 556396150 /nfs/dbraw/zinc/39/61/50/556396150.db2.gz HUWJIHFFBLPXSN-OHHYDVLYSA-N 2 1 435.612 4.520 50 0 IJAAMP Cc1ccsc1C[N@@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000055037081 569275043 /nfs/dbraw/zinc/27/50/43/569275043.db2.gz IGRVXAJFCKBLIC-UHFFFAOYSA-N 2 1 449.620 4.890 50 0 IJAAMP Cc1ccsc1C[N@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000055037081 569275044 /nfs/dbraw/zinc/27/50/44/569275044.db2.gz IGRVXAJFCKBLIC-UHFFFAOYSA-N 2 1 449.620 4.890 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@@H+]1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000253487152 569283012 /nfs/dbraw/zinc/28/30/12/569283012.db2.gz FUPHRLAFWMRUCX-DOIPELPJSA-N 2 1 426.476 4.975 50 0 IJAAMP CCCCN(CC[NH+]1C[C@@H]2CC=C(Cl)C[C@@H]2C1)C[N@H+]1C[C@H]2CC=C(Cl)C[C@@H]2C1 ZINC000253487152 569283013 /nfs/dbraw/zinc/28/30/13/569283013.db2.gz FUPHRLAFWMRUCX-DOIPELPJSA-N 2 1 426.476 4.975 50 0 IJAAMP