smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC001306623165 1069313734 /nfs/dbraw/zinc/31/37/34/1069313734.db2.gz RJHDCNUKSRNIBB-HXUWFJFHSA-N 2 1 490.027 3.880 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC001306623165 1069313750 /nfs/dbraw/zinc/31/37/50/1069313750.db2.gz RJHDCNUKSRNIBB-HXUWFJFHSA-N 2 1 490.027 3.880 20 0 JHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364628 /nfs/dbraw/zinc/36/46/28/1069364628.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 2 1 460.544 3.797 20 0 JHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364642 /nfs/dbraw/zinc/36/46/42/1069364642.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 2 1 460.544 3.797 20 0 JHADMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364653 /nfs/dbraw/zinc/36/46/53/1069364653.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 2 1 460.544 3.797 20 0 JHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001311405491 1069364662 /nfs/dbraw/zinc/36/46/62/1069364662.db2.gz OYLIMMYSVWBPAG-DHIUTWEWSA-N 2 1 460.544 3.797 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677938 1069402552 /nfs/dbraw/zinc/40/25/52/1069402552.db2.gz FXPGXFDRYAUGDV-GGAORHGYSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677938 1069402556 /nfs/dbraw/zinc/40/25/56/1069402556.db2.gz FXPGXFDRYAUGDV-GGAORHGYSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677938 1069402561 /nfs/dbraw/zinc/40/25/61/1069402561.db2.gz FXPGXFDRYAUGDV-GGAORHGYSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001306679341 1069405070 /nfs/dbraw/zinc/40/50/70/1069405070.db2.gz HVVPQEXBFCTBDR-HXUWFJFHSA-N 2 1 490.096 3.663 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001306679341 1069405073 /nfs/dbraw/zinc/40/50/73/1069405073.db2.gz HVVPQEXBFCTBDR-HXUWFJFHSA-N 2 1 490.096 3.663 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306725687 1069467240 /nfs/dbraw/zinc/46/72/40/1069467240.db2.gz GRISFVQOGYPAAF-DEOSSOPVSA-N 2 1 453.679 3.839 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306725687 1069467244 /nfs/dbraw/zinc/46/72/44/1069467244.db2.gz GRISFVQOGYPAAF-DEOSSOPVSA-N 2 1 453.679 3.839 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306725687 1069467251 /nfs/dbraw/zinc/46/72/51/1069467251.db2.gz GRISFVQOGYPAAF-DEOSSOPVSA-N 2 1 453.679 3.839 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001306781125 1069578968 /nfs/dbraw/zinc/57/89/68/1069578968.db2.gz RVKJQPLIPIQECG-LJQANCHMSA-N 2 1 463.095 3.815 20 0 JHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC001311966221 1069641272 /nfs/dbraw/zinc/64/12/72/1069641272.db2.gz YNHSJBZJRKHPHR-UKILVPOCSA-N 2 1 456.675 3.920 20 0 JHADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066200 1069702815 /nfs/dbraw/zinc/70/28/15/1069702815.db2.gz JLQKNCVRNUFNOY-UCGXPXSYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066200 1069702822 /nfs/dbraw/zinc/70/28/22/1069702822.db2.gz JLQKNCVRNUFNOY-UCGXPXSYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312066200 1069702829 /nfs/dbraw/zinc/70/28/29/1069702829.db2.gz JLQKNCVRNUFNOY-UCGXPXSYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312066200 1069702836 /nfs/dbraw/zinc/70/28/36/1069702836.db2.gz JLQKNCVRNUFNOY-UCGXPXSYSA-N 2 1 452.643 3.732 20 0 JHADMP CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001307029676 1069737196 /nfs/dbraw/zinc/73/71/96/1069737196.db2.gz PZKIVDMOMPBGTJ-NRFANRHFSA-N 2 1 487.737 3.629 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH+](CC)CC)CC2)C1 ZINC001307032030 1069743231 /nfs/dbraw/zinc/74/32/31/1069743231.db2.gz QFNPZMUFWLMGEF-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CC(C)[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001312176973 1069767012 /nfs/dbraw/zinc/76/70/12/1069767012.db2.gz DVCSKAXPTCWJGU-RUZDIDTESA-N 2 1 456.675 3.821 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001307048959 1069795530 /nfs/dbraw/zinc/79/55/30/1069795530.db2.gz DMSIKPMNHQVPLX-XMMPIXPASA-N 2 1 468.690 3.921 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001307048874 1069795611 /nfs/dbraw/zinc/79/56/11/1069795611.db2.gz ALISJZFXYBIQDU-QHCPKHFHSA-N 2 1 481.733 3.838 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001307050899 1069801702 /nfs/dbraw/zinc/80/17/02/1069801702.db2.gz HFAYZTATTFZVSW-UHFFFAOYSA-N 2 1 484.689 3.587 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001307052325 1069807624 /nfs/dbraw/zinc/80/76/24/1069807624.db2.gz XOBMNITVOZHRGB-NRFANRHFSA-N 2 1 454.667 3.700 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001307054282 1069816129 /nfs/dbraw/zinc/81/61/29/1069816129.db2.gz WWAHXYBSBNDSBQ-OAQYLSRUSA-N 2 1 484.737 3.961 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001307054281 1069816408 /nfs/dbraw/zinc/81/64/08/1069816408.db2.gz WWAHXYBSBNDSBQ-NRFANRHFSA-N 2 1 484.737 3.961 20 0 JHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312264609 1069822110 /nfs/dbraw/zinc/82/21/10/1069822110.db2.gz GQUOTYBOPXQHLH-NRFANRHFSA-N 2 1 451.453 3.929 20 0 JHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312264609 1069822130 /nfs/dbraw/zinc/82/21/30/1069822130.db2.gz GQUOTYBOPXQHLH-NRFANRHFSA-N 2 1 451.453 3.929 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307056282 1069826576 /nfs/dbraw/zinc/82/65/76/1069826576.db2.gz SBUUBIKNHRFFKW-XJUOHMSHSA-N 2 1 476.710 3.718 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001312322087 1069862839 /nfs/dbraw/zinc/86/28/39/1069862839.db2.gz VXXMDAWFABHAEG-QFBILLFUSA-N 2 1 457.432 3.577 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC001312322084 1069863113 /nfs/dbraw/zinc/86/31/13/1069863113.db2.gz VXXMDAWFABHAEG-LPHOPBHVSA-N 2 1 457.432 3.577 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358577 1069885281 /nfs/dbraw/zinc/88/52/81/1069885281.db2.gz YBDNAUPDCRMGDF-CCDWMCETSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358577 1069885303 /nfs/dbraw/zinc/88/53/03/1069885303.db2.gz YBDNAUPDCRMGDF-CCDWMCETSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358581 1069885647 /nfs/dbraw/zinc/88/56/47/1069885647.db2.gz YBDNAUPDCRMGDF-UBFVSLLYSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358581 1069885674 /nfs/dbraw/zinc/88/56/74/1069885674.db2.gz YBDNAUPDCRMGDF-UBFVSLLYSA-N 2 1 456.675 3.820 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486859 1069965376 /nfs/dbraw/zinc/96/53/76/1069965376.db2.gz CXCBDSHYQINYSZ-SDUSCBPUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486859 1069965391 /nfs/dbraw/zinc/96/53/91/1069965391.db2.gz CXCBDSHYQINYSZ-SDUSCBPUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001312486859 1069965401 /nfs/dbraw/zinc/96/54/01/1069965401.db2.gz CXCBDSHYQINYSZ-SDUSCBPUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001312486859 1069965414 /nfs/dbraw/zinc/96/54/14/1069965414.db2.gz CXCBDSHYQINYSZ-SDUSCBPUSA-N 2 1 452.668 3.671 20 0 JHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592072 1070069485 /nfs/dbraw/zinc/06/94/85/1070069485.db2.gz JKHUDUVZIINFON-OAQYLSRUSA-N 2 1 452.437 3.773 20 0 JHADMP CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302430 1070087391 /nfs/dbraw/zinc/08/73/91/1070087391.db2.gz IUMMXRDUUPNDHA-FYYLOGMGSA-N 2 1 454.663 3.788 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656315 1070106482 /nfs/dbraw/zinc/10/64/82/1070106482.db2.gz DEXAZSLZQJYXOJ-PFWHTEFJSA-N 2 1 452.990 3.605 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656315 1070106486 /nfs/dbraw/zinc/10/64/86/1070106486.db2.gz DEXAZSLZQJYXOJ-PFWHTEFJSA-N 2 1 452.990 3.605 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001313074646 1070241827 /nfs/dbraw/zinc/24/18/27/1070241827.db2.gz NWLPXTMEHABZEN-DPVXCJKMSA-N 2 1 451.453 3.910 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313446349 1070362661 /nfs/dbraw/zinc/36/26/61/1070362661.db2.gz BBHDWMGAFIJJEF-URXFXBBRSA-N 2 1 454.663 3.539 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313446349 1070362674 /nfs/dbraw/zinc/36/26/74/1070362674.db2.gz BBHDWMGAFIJJEF-URXFXBBRSA-N 2 1 454.663 3.539 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313446349 1070362689 /nfs/dbraw/zinc/36/26/89/1070362689.db2.gz BBHDWMGAFIJJEF-URXFXBBRSA-N 2 1 454.663 3.539 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313446344 1070362755 /nfs/dbraw/zinc/36/27/55/1070362755.db2.gz BBHDWMGAFIJJEF-QPPBQGQZSA-N 2 1 454.663 3.539 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313446344 1070362770 /nfs/dbraw/zinc/36/27/70/1070362770.db2.gz BBHDWMGAFIJJEF-QPPBQGQZSA-N 2 1 454.663 3.539 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313446344 1070362787 /nfs/dbraw/zinc/36/27/87/1070362787.db2.gz BBHDWMGAFIJJEF-QPPBQGQZSA-N 2 1 454.663 3.539 20 0 JHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3c(C(=O)OC(C)(C)C)cnn3C)cc2)C[C@H]1C ZINC001308352475 1070360909 /nfs/dbraw/zinc/36/09/09/1070360909.db2.gz DNADYAWWUKZNNC-BGYRXZFFSA-N 2 1 456.631 3.674 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001313447113 1070365462 /nfs/dbraw/zinc/36/54/62/1070365462.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313447113 1070365477 /nfs/dbraw/zinc/36/54/77/1070365477.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313447113 1070365485 /nfs/dbraw/zinc/36/54/85/1070365485.db2.gz IVMWYVXXIZHHAN-ONTIZHBOSA-N 2 1 470.662 3.756 20 0 JHADMP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cc[nH+]c2C)C[C@@H]1CC ZINC001314496500 1070417960 /nfs/dbraw/zinc/41/79/60/1070417960.db2.gz RKOLZHVCSMBRJD-FQEVSTJZSA-N 2 1 472.037 3.741 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cc[nH+]c2C)C[C@@H]1CC ZINC001314496500 1070417965 /nfs/dbraw/zinc/41/79/65/1070417965.db2.gz RKOLZHVCSMBRJD-FQEVSTJZSA-N 2 1 472.037 3.741 20 0 JHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877762 1070453418 /nfs/dbraw/zinc/45/34/18/1070453418.db2.gz VZVNGTYSFYIDBV-NRFANRHFSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877762 1070453424 /nfs/dbraw/zinc/45/34/24/1070453424.db2.gz VZVNGTYSFYIDBV-NRFANRHFSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877762 1070453431 /nfs/dbraw/zinc/45/34/31/1070453431.db2.gz VZVNGTYSFYIDBV-NRFANRHFSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877762 1070453435 /nfs/dbraw/zinc/45/34/35/1070453435.db2.gz VZVNGTYSFYIDBV-NRFANRHFSA-N 2 1 456.591 3.712 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[NH+](C(C)C)CC2)c1 ZINC001313576214 1070692688 /nfs/dbraw/zinc/69/26/88/1070692688.db2.gz WOWATHDSVIZIKW-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001313576214 1070692693 /nfs/dbraw/zinc/69/26/93/1070692693.db2.gz WOWATHDSVIZIKW-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001313576214 1070692700 /nfs/dbraw/zinc/69/27/00/1070692700.db2.gz WOWATHDSVIZIKW-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646874 1070747453 /nfs/dbraw/zinc/74/74/53/1070747453.db2.gz FSRKUFKKXZUFRG-HXUWFJFHSA-N 2 1 496.685 3.600 20 0 JHADMP C[NH+](C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646874 1070747464 /nfs/dbraw/zinc/74/74/64/1070747464.db2.gz FSRKUFKKXZUFRG-HXUWFJFHSA-N 2 1 496.685 3.600 20 0 JHADMP C[NH+](C)C1(Cn2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CCOCC1 ZINC001314661623 1070786438 /nfs/dbraw/zinc/78/64/38/1070786438.db2.gz YWKWZBBPUYCUSG-UHFFFAOYSA-N 2 1 472.653 3.538 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001314669719 1070809247 /nfs/dbraw/zinc/80/92/47/1070809247.db2.gz IRVVGZKMHONNCN-UHFFFAOYSA-N 2 1 499.723 3.916 20 0 JHADMP Cn1cccc1-c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001314668892 1070806284 /nfs/dbraw/zinc/80/62/84/1070806284.db2.gz SGXUGUJKUCIUTR-UHFFFAOYSA-N 2 1 479.673 3.583 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313669838 1070895468 /nfs/dbraw/zinc/89/54/68/1070895468.db2.gz DQUMOUCDAFRJJQ-NJYVYQBISA-N 2 1 451.663 3.999 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001313691536 1070951247 /nfs/dbraw/zinc/95/12/47/1070951247.db2.gz ORUZNRRYMOYPDG-UHFFFAOYSA-N 2 1 479.673 3.720 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001313696494 1070963123 /nfs/dbraw/zinc/96/31/23/1070963123.db2.gz WLGLSKVYYHUXNO-UHFFFAOYSA-N 2 1 481.733 3.838 20 0 JHADMP CC[NH+](CC)Cc1ccc(Cn2c(N3CC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001313700634 1070977388 /nfs/dbraw/zinc/97/73/88/1070977388.db2.gz VNQFTPJHOUIEFU-XMMPIXPASA-N 2 1 468.690 3.624 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705809 1070994465 /nfs/dbraw/zinc/99/44/65/1070994465.db2.gz VFSLXJQUJUZQKT-ZJSXRUAMSA-N 2 1 468.690 3.623 20 0 JHADMP CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313717883 1071017918 /nfs/dbraw/zinc/01/79/18/1071017918.db2.gz KRLAFSIWSLVTNM-UHFFFAOYSA-N 2 1 456.679 3.923 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313802923 1071209835 /nfs/dbraw/zinc/20/98/35/1071209835.db2.gz KUPPIDUUHNXESU-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CC(C)C)CC1)CCC(F)(F)F ZINC001313807646 1071229290 /nfs/dbraw/zinc/22/92/90/1071229290.db2.gz UIOYDTGKSQQVOQ-UHFFFAOYSA-N 2 1 496.578 3.726 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871843 1071285006 /nfs/dbraw/zinc/28/50/06/1071285006.db2.gz DRMZPMADYSNXLC-UHFFFAOYSA-N 2 1 486.680 3.677 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871843 1071285012 /nfs/dbraw/zinc/28/50/12/1071285012.db2.gz DRMZPMADYSNXLC-UHFFFAOYSA-N 2 1 486.680 3.677 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314871843 1071285019 /nfs/dbraw/zinc/28/50/19/1071285019.db2.gz DRMZPMADYSNXLC-UHFFFAOYSA-N 2 1 486.680 3.677 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314871843 1071285028 /nfs/dbraw/zinc/28/50/28/1071285028.db2.gz DRMZPMADYSNXLC-UHFFFAOYSA-N 2 1 486.680 3.677 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859338 1071363650 /nfs/dbraw/zinc/36/36/50/1071363650.db2.gz GABJVPTUNUCMDZ-MOPGFXCFSA-N 2 1 492.615 3.576 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364687 /nfs/dbraw/zinc/36/46/87/1071364687.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364694 /nfs/dbraw/zinc/36/46/94/1071364694.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1C ZINC001313859712 1071364699 /nfs/dbraw/zinc/36/46/99/1071364699.db2.gz GXSMGEMJVKTIEM-PCCBWWKXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871102 1071415780 /nfs/dbraw/zinc/41/57/80/1071415780.db2.gz WWGLXJFHSRIYGL-NHCUHLMSSA-N 2 1 451.663 3.788 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871560 1071417333 /nfs/dbraw/zinc/41/73/33/1071417333.db2.gz UKPLFYBWCMWGRR-MSOLQXFVSA-N 2 1 479.044 3.767 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874471 1071428851 /nfs/dbraw/zinc/42/88/51/1071428851.db2.gz IARCCWFNDZDACS-UFPGJGBJSA-N 2 1 486.730 3.830 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431355 /nfs/dbraw/zinc/43/13/55/1071431355.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431357 /nfs/dbraw/zinc/43/13/57/1071431357.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874844 1071431363 /nfs/dbraw/zinc/43/13/63/1071431363.db2.gz OFRNEIQPUDGUOO-ZRBLBEILSA-N 2 1 461.658 3.703 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875971 1071436895 /nfs/dbraw/zinc/43/68/95/1071436895.db2.gz NFXCDJLVQMZGNC-ZFGGDYGUSA-N 2 1 454.663 3.733 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875968 1071436729 /nfs/dbraw/zinc/43/67/29/1071436729.db2.gz NFXCDJLVQMZGNC-AWRGLXIESA-N 2 1 454.663 3.733 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313875969 1071436799 /nfs/dbraw/zinc/43/67/99/1071436799.db2.gz NFXCDJLVQMZGNC-DPLHUUCSSA-N 2 1 454.663 3.733 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441714 /nfs/dbraw/zinc/44/17/14/1071441714.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441719 /nfs/dbraw/zinc/44/17/19/1071441719.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877373 1071441723 /nfs/dbraw/zinc/44/17/23/1071441723.db2.gz STQYYKWQZPDFEH-DPLHUUCSSA-N 2 1 468.690 3.917 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886350 1071470888 /nfs/dbraw/zinc/47/08/88/1071470888.db2.gz SDDBZHKJBWINMZ-FGZHOGPDSA-N 2 1 470.662 3.517 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886869 1071471663 /nfs/dbraw/zinc/47/16/63/1071471663.db2.gz BYWHVODTJGJWBC-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313886869 1071471669 /nfs/dbraw/zinc/47/16/69/1071471669.db2.gz BYWHVODTJGJWBC-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313886869 1071471673 /nfs/dbraw/zinc/47/16/73/1071471673.db2.gz BYWHVODTJGJWBC-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313892211 1071486396 /nfs/dbraw/zinc/48/63/96/1071486396.db2.gz CFQJTNLNAYIDHF-HSZRJFAPSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313892211 1071486404 /nfs/dbraw/zinc/48/64/04/1071486404.db2.gz CFQJTNLNAYIDHF-HSZRJFAPSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313892211 1071486408 /nfs/dbraw/zinc/48/64/08/1071486408.db2.gz CFQJTNLNAYIDHF-HSZRJFAPSA-N 2 1 454.663 3.995 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313894909 1071494901 /nfs/dbraw/zinc/49/49/01/1071494901.db2.gz JOTALOMPTSEEOO-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001313894909 1071494909 /nfs/dbraw/zinc/49/49/09/1071494909.db2.gz JOTALOMPTSEEOO-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001313894909 1071494913 /nfs/dbraw/zinc/49/49/13/1071494913.db2.gz JOTALOMPTSEEOO-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313896894 1071500921 /nfs/dbraw/zinc/50/09/21/1071500921.db2.gz SMVMLXUWLAUSQU-IBGZPJMESA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313896894 1071500927 /nfs/dbraw/zinc/50/09/27/1071500927.db2.gz SMVMLXUWLAUSQU-IBGZPJMESA-N 2 1 479.044 3.769 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313896894 1071500933 /nfs/dbraw/zinc/50/09/33/1071500933.db2.gz SMVMLXUWLAUSQU-IBGZPJMESA-N 2 1 479.044 3.769 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313896894 1071500943 /nfs/dbraw/zinc/50/09/43/1071500943.db2.gz SMVMLXUWLAUSQU-IBGZPJMESA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313896946 1071501447 /nfs/dbraw/zinc/50/14/47/1071501447.db2.gz RWVODXZRSSPPGD-HSZRJFAPSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313896946 1071501454 /nfs/dbraw/zinc/50/14/54/1071501454.db2.gz RWVODXZRSSPPGD-HSZRJFAPSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313896946 1071501458 /nfs/dbraw/zinc/50/14/58/1071501458.db2.gz RWVODXZRSSPPGD-HSZRJFAPSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313904696 1071519340 /nfs/dbraw/zinc/51/93/40/1071519340.db2.gz KSVCTYJEOMRGCR-FQEVSTJZSA-N 2 1 492.510 3.887 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313907009 1071525802 /nfs/dbraw/zinc/52/58/02/1071525802.db2.gz VIUXAVCNEMKYFP-FQEVSTJZSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625009 /nfs/dbraw/zinc/62/50/09/1071625009.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 2 1 474.097 3.545 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625013 /nfs/dbraw/zinc/62/50/13/1071625013.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 2 1 474.097 3.545 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944719 1071625017 /nfs/dbraw/zinc/62/50/17/1071625017.db2.gz GECWDWQRPGMCRW-HSZRJFAPSA-N 2 1 474.097 3.545 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635780 /nfs/dbraw/zinc/63/57/80/1071635780.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635783 /nfs/dbraw/zinc/63/57/83/1071635783.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635786 /nfs/dbraw/zinc/63/57/86/1071635786.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313951965 1071643600 /nfs/dbraw/zinc/64/36/00/1071643600.db2.gz WTFFRTSLEROHFU-XMMPIXPASA-N 2 1 481.733 3.777 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314125185 1072032144 /nfs/dbraw/zinc/03/21/44/1072032144.db2.gz OPNOVSBBDLNBJW-HHHXNRCGSA-N 2 1 490.737 3.753 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001305934713 1068235679 /nfs/dbraw/zinc/23/56/79/1068235679.db2.gz DJVAGXHNTZIEDM-FDFHNCONSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305985073 1068334200 /nfs/dbraw/zinc/33/42/00/1068334200.db2.gz DOWYKQDBLFZDIV-NHCUHLMSSA-N 2 1 454.663 3.680 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001305988355 1068344606 /nfs/dbraw/zinc/34/46/06/1068344606.db2.gz KVQJJGBKBKBBDD-HXUWFJFHSA-N 2 1 451.619 3.545 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001305988355 1068344617 /nfs/dbraw/zinc/34/46/17/1068344617.db2.gz KVQJJGBKBKBBDD-HXUWFJFHSA-N 2 1 451.619 3.545 20 0 JHADMP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306208690 1068599981 /nfs/dbraw/zinc/59/99/81/1068599981.db2.gz FHJZVCWXAOXCAL-RUZDIDTESA-N 2 1 468.690 3.690 20 0 JHADMP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306208690 1068599987 /nfs/dbraw/zinc/59/99/87/1068599987.db2.gz FHJZVCWXAOXCAL-RUZDIDTESA-N 2 1 468.690 3.690 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC001306319826 1068746664 /nfs/dbraw/zinc/74/66/64/1068746664.db2.gz NMYNTAJWPLPOLP-YADHBBJMSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001306319826 1068746668 /nfs/dbraw/zinc/74/66/68/1068746668.db2.gz NMYNTAJWPLPOLP-YADHBBJMSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001306319826 1068746677 /nfs/dbraw/zinc/74/66/77/1068746677.db2.gz NMYNTAJWPLPOLP-YADHBBJMSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306427386 1068922777 /nfs/dbraw/zinc/92/27/77/1068922777.db2.gz PNFVKALOOGRTAS-UBFVSLLYSA-N 2 1 484.689 3.678 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001306432352 1068933213 /nfs/dbraw/zinc/93/32/13/1068933213.db2.gz DNMOMYINHAEPJJ-LOSJGSFVSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001306432352 1068933222 /nfs/dbraw/zinc/93/32/22/1068933222.db2.gz DNMOMYINHAEPJJ-LOSJGSFVSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306432350 1068933452 /nfs/dbraw/zinc/93/34/52/1068933452.db2.gz DNMOMYINHAEPJJ-DQEYMECFSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306432350 1068933461 /nfs/dbraw/zinc/93/34/61/1068933461.db2.gz DNMOMYINHAEPJJ-DQEYMECFSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001306434863 1068937945 /nfs/dbraw/zinc/93/79/45/1068937945.db2.gz AWHNKXXJBFLUQS-BKULYWANSA-N 2 1 489.108 3.800 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306440635 1068948370 /nfs/dbraw/zinc/94/83/70/1068948370.db2.gz OAMLIXKOHLSKQS-HSZRJFAPSA-N 2 1 486.680 3.820 20 0 JHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164426167 718915979 /nfs/dbraw/zinc/91/59/79/718915979.db2.gz XPMNOPSYXVIYSR-HHHXNRCGSA-N 2 1 493.677 3.930 20 0 JHADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164689904 719742979 /nfs/dbraw/zinc/74/29/79/719742979.db2.gz OGBAINVJPGEJSA-LJQANCHMSA-N 2 1 496.725 3.593 20 0 JHADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC2 ZINC001164689904 719742993 /nfs/dbraw/zinc/74/29/93/719742993.db2.gz OGBAINVJPGEJSA-LJQANCHMSA-N 2 1 496.725 3.593 20 0 JHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813528 720206065 /nfs/dbraw/zinc/20/60/65/720206065.db2.gz QUAVIRJVCZPHIS-NFBKMPQASA-N 2 1 467.004 3.841 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164842349 720707365 /nfs/dbraw/zinc/70/73/65/720707365.db2.gz YRZAHDKIDQKZML-XMMPIXPASA-N 2 1 450.627 3.816 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164751860 720832983 /nfs/dbraw/zinc/83/29/83/720832983.db2.gz ZKPMNSQUOZBKRQ-GZGNHOFSSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751860 720832987 /nfs/dbraw/zinc/83/29/87/720832987.db2.gz ZKPMNSQUOZBKRQ-GZGNHOFSSA-N 2 1 486.599 3.590 20 0 JHADMP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745200 720850316 /nfs/dbraw/zinc/85/03/16/720850316.db2.gz MPJPVXWGDVUPTB-SONWIMMPSA-N 2 1 457.626 3.806 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164768733 721201423 /nfs/dbraw/zinc/20/14/23/721201423.db2.gz LQFPCHHNGXQUBH-RTWAWAEBSA-N 2 1 467.687 3.842 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164768733 721201431 /nfs/dbraw/zinc/20/14/31/721201431.db2.gz LQFPCHHNGXQUBH-RTWAWAEBSA-N 2 1 467.687 3.842 20 0 JHADMP COc1cc2cc[nH+]c(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780020 721352217 /nfs/dbraw/zinc/35/22/17/721352217.db2.gz YMBMZLOUDKMYHL-AREMUKBSSA-N 2 1 466.582 3.976 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906189 721722070 /nfs/dbraw/zinc/72/20/70/721722070.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 2 1 455.509 3.872 20 0 JHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164938951 721923753 /nfs/dbraw/zinc/92/37/53/721923753.db2.gz CTZNXYFOXAIKCC-UHFFFAOYSA-N 2 1 456.034 3.777 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5C[NH+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109150 /nfs/dbraw/zinc/10/91/50/722109150.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109155 /nfs/dbraw/zinc/10/91/55/722109155.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109158 /nfs/dbraw/zinc/10/91/58/722109158.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 2 1 469.633 3.762 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306626479 1069322223 /nfs/dbraw/zinc/32/22/23/1069322223.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306626479 1069322231 /nfs/dbraw/zinc/32/22/31/1069322231.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306626479 1069322252 /nfs/dbraw/zinc/32/22/52/1069322252.db2.gz YYUBHOHFRWTOCE-YCAMKHIRSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC001306633427 1069336485 /nfs/dbraw/zinc/33/64/85/1069336485.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001306633427 1069336499 /nfs/dbraw/zinc/33/64/99/1069336499.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001306633427 1069336513 /nfs/dbraw/zinc/33/65/13/1069336513.db2.gz BMWAYSZNOHNAEL-OLKYXYMISA-N 2 1 490.737 3.618 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001311440195 1069381044 /nfs/dbraw/zinc/38/10/44/1069381044.db2.gz CGQWZTKFBZXVNB-CLJLJLNGSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001311440195 1069381051 /nfs/dbraw/zinc/38/10/51/1069381051.db2.gz CGQWZTKFBZXVNB-CLJLJLNGSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001311440195 1069381062 /nfs/dbraw/zinc/38/10/62/1069381062.db2.gz CGQWZTKFBZXVNB-CLJLJLNGSA-N 2 1 458.691 3.718 20 0 JHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC001311497917 1069406960 /nfs/dbraw/zinc/40/69/60/1069406960.db2.gz SGCQHZLBVWKYPC-RLWLMLJZSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001311497917 1069406970 /nfs/dbraw/zinc/40/69/70/1069406970.db2.gz SGCQHZLBVWKYPC-RLWLMLJZSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001311497917 1069406974 /nfs/dbraw/zinc/40/69/74/1069406974.db2.gz SGCQHZLBVWKYPC-RLWLMLJZSA-N 2 1 450.627 3.627 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306681244 1069409886 /nfs/dbraw/zinc/40/98/86/1069409886.db2.gz UNMQJXKANNCTRL-XZOQPEGZSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306681244 1069409895 /nfs/dbraw/zinc/40/98/95/1069409895.db2.gz UNMQJXKANNCTRL-XZOQPEGZSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306681244 1069409903 /nfs/dbraw/zinc/40/99/03/1069409903.db2.gz UNMQJXKANNCTRL-XZOQPEGZSA-N 2 1 487.737 3.583 20 0 JHADMP CCC(CC)[C@H](CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC001311532955 1069426452 /nfs/dbraw/zinc/42/64/52/1069426452.db2.gz JWDHVILXHICMIW-VWLOTQADSA-N 2 1 456.675 3.920 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306725765 1069466916 /nfs/dbraw/zinc/46/69/16/1069466916.db2.gz HHJCTGGPSZRJML-DEOSSOPVSA-N 2 1 453.679 3.885 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001311758455 1069534925 /nfs/dbraw/zinc/53/49/25/1069534925.db2.gz LWYMRGDDRPUWFK-LVXARBLLSA-N 2 1 450.627 3.727 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306781171 1069579001 /nfs/dbraw/zinc/57/90/01/1069579001.db2.gz HNKXDPZQYKHSIH-BHIFYINESA-N 2 1 491.725 3.511 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001306784909 1069585932 /nfs/dbraw/zinc/58/59/32/1069585932.db2.gz OZQXIQXEJZSQOA-PZJWPPBQSA-N 2 1 453.660 3.873 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306808455 1069625032 /nfs/dbraw/zinc/62/50/32/1069625032.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306808455 1069625037 /nfs/dbraw/zinc/62/50/37/1069625037.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306808455 1069625048 /nfs/dbraw/zinc/62/50/48/1069625048.db2.gz MDWIKRFYRBTZRM-YSFYHYPLSA-N 2 1 491.725 3.700 20 0 JHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956049 1069634635 /nfs/dbraw/zinc/63/46/35/1069634635.db2.gz FXHQKLXSOQIUPC-WIOPSUGQSA-N 2 1 450.627 3.729 20 0 JHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC001311958109 1069636578 /nfs/dbraw/zinc/63/65/78/1069636578.db2.gz ZAICCYDWZINZKG-UHFFFAOYSA-N 2 1 450.627 3.887 20 0 JHADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066201 1069702725 /nfs/dbraw/zinc/70/27/25/1069702725.db2.gz JLQKNCVRNUFNOY-ZSQFBXSQSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066201 1069702737 /nfs/dbraw/zinc/70/27/37/1069702737.db2.gz JLQKNCVRNUFNOY-ZSQFBXSQSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312066201 1069702748 /nfs/dbraw/zinc/70/27/48/1069702748.db2.gz JLQKNCVRNUFNOY-ZSQFBXSQSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312066201 1069702758 /nfs/dbraw/zinc/70/27/58/1069702758.db2.gz JLQKNCVRNUFNOY-ZSQFBXSQSA-N 2 1 452.643 3.732 20 0 JHADMP CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001307033889 1069748859 /nfs/dbraw/zinc/74/88/59/1069748859.db2.gz NMRARRBQAQYLOS-HXUWFJFHSA-N 2 1 470.662 3.615 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001307046194 1069784594 /nfs/dbraw/zinc/78/45/94/1069784594.db2.gz PFLWSAOIMAZIDJ-FQEVSTJZSA-N 2 1 461.054 3.773 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCN(CC[NH+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787281 /nfs/dbraw/zinc/78/72/81/1069787281.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 2 1 481.733 3.562 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787295 /nfs/dbraw/zinc/78/72/95/1069787295.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 2 1 481.733 3.562 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046960 1069787307 /nfs/dbraw/zinc/78/73/07/1069787307.db2.gz OVMTWVXYIOFFDH-VWLOTQADSA-N 2 1 481.733 3.562 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001307048778 1069794821 /nfs/dbraw/zinc/79/48/21/1069794821.db2.gz YRSFNZXNDKNALY-QFIPXVFZSA-N 2 1 486.680 3.820 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001307049387 1069797327 /nfs/dbraw/zinc/79/73/27/1069797327.db2.gz JGOXBASFKXCQIW-UHFFFAOYSA-N 2 1 454.663 3.675 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CCCn2cc[nH+]c2C)CC1 ZINC001307051146 1069803245 /nfs/dbraw/zinc/80/32/45/1069803245.db2.gz XZQHCTHRTXKEOX-UHFFFAOYSA-N 2 1 489.466 3.942 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859255 /nfs/dbraw/zinc/85/92/55/1069859255.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 2 1 472.653 3.894 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859276 /nfs/dbraw/zinc/85/92/76/1069859276.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 2 1 472.653 3.894 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859292 /nfs/dbraw/zinc/85/92/92/1069859292.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 2 1 472.653 3.894 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062613 1069859315 /nfs/dbraw/zinc/85/93/15/1069859315.db2.gz LALGGECTVQJPMK-BHIFYINESA-N 2 1 472.653 3.894 20 0 JHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001307412102 1069971787 /nfs/dbraw/zinc/97/17/87/1069971787.db2.gz CHPFBASSHRHHPJ-INIZCTEOSA-N 2 1 457.446 3.881 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975882 /nfs/dbraw/zinc/97/58/82/1069975882.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975892 /nfs/dbraw/zinc/97/58/92/1069975892.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001312500282 1069975898 /nfs/dbraw/zinc/97/58/98/1069975898.db2.gz OTBVIVXBZYJCAB-AZGAKELHSA-N 2 1 458.691 3.862 20 0 JHADMP CCOCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001314378219 1070221260 /nfs/dbraw/zinc/22/12/60/1070221260.db2.gz JRPBKUANTOOWOB-QHCPKHFHSA-N 2 1 472.653 3.786 20 0 JHADMP CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001314378219 1070221270 /nfs/dbraw/zinc/22/12/70/1070221270.db2.gz JRPBKUANTOOWOB-QHCPKHFHSA-N 2 1 472.653 3.786 20 0 JHADMP CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001314378219 1070221277 /nfs/dbraw/zinc/22/12/77/1070221277.db2.gz JRPBKUANTOOWOB-QHCPKHFHSA-N 2 1 472.653 3.786 20 0 JHADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344173 1070359481 /nfs/dbraw/zinc/35/94/81/1070359481.db2.gz XRUVCOGSXVJKOE-TUNNFDKTSA-N 2 1 458.002 3.603 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314499154 1070426225 /nfs/dbraw/zinc/42/62/25/1070426225.db2.gz MEIUWDATVCBVLL-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314499154 1070426229 /nfs/dbraw/zinc/42/62/29/1070426229.db2.gz MEIUWDATVCBVLL-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314499154 1070426235 /nfs/dbraw/zinc/42/62/35/1070426235.db2.gz MEIUWDATVCBVLL-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646873 1070747589 /nfs/dbraw/zinc/74/75/89/1070747589.db2.gz FSRKUFKKXZUFRG-FQEVSTJZSA-N 2 1 496.685 3.600 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1ccsc1 ZINC001314646873 1070747596 /nfs/dbraw/zinc/74/75/96/1070747596.db2.gz FSRKUFKKXZUFRG-FQEVSTJZSA-N 2 1 496.685 3.600 20 0 JHADMP C[NH+](C)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001314661367 1070786363 /nfs/dbraw/zinc/78/63/63/1070786363.db2.gz XHYWMIHHVYPBMU-NHCUHLMSSA-N 2 1 460.711 3.992 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314676245 1070821482 /nfs/dbraw/zinc/82/14/82/1070821482.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676245 1070821508 /nfs/dbraw/zinc/82/15/08/1070821508.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676245 1070821537 /nfs/dbraw/zinc/82/15/37/1070821537.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCN(C)C(C)(C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314676245 1070821564 /nfs/dbraw/zinc/82/15/64/1070821564.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCN(C)C(C)(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314676245 1070821589 /nfs/dbraw/zinc/82/15/89/1070821589.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676245 1070821614 /nfs/dbraw/zinc/82/16/14/1070821614.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676245 1070821642 /nfs/dbraw/zinc/82/16/42/1070821642.db2.gz ASWBVSHWROXKHR-DEOSSOPVSA-N 2 1 481.733 3.702 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001313655964 1070847322 /nfs/dbraw/zinc/84/73/22/1070847322.db2.gz BORHSQSMYRRWMJ-KBMIEXCESA-N 2 1 492.615 3.578 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313656233 1070849616 /nfs/dbraw/zinc/84/96/16/1070849616.db2.gz HLKFGKIRNZWJBH-QUCCMNQESA-N 2 1 462.589 3.951 20 0 JHADMP CC[N@H+]1CCCN(S(=O)(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC001309570382 1070864040 /nfs/dbraw/zinc/86/40/40/1070864040.db2.gz KJQYXCZULUWRAX-KSNOWIBYSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC001309570382 1070864067 /nfs/dbraw/zinc/86/40/67/1070864067.db2.gz KJQYXCZULUWRAX-KSNOWIBYSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+]1CCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC001309570382 1070864098 /nfs/dbraw/zinc/86/40/98/1070864098.db2.gz KJQYXCZULUWRAX-KSNOWIBYSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666868 1070887016 /nfs/dbraw/zinc/88/70/16/1070887016.db2.gz YFKLZLUBSOLJGK-NKKJXINNSA-N 2 1 484.718 3.984 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672765 1070905000 /nfs/dbraw/zinc/90/50/00/1070905000.db2.gz AWBFCDOHHUKANF-NLFFAJNJSA-N 2 1 458.651 3.553 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001313694172 1070955992 /nfs/dbraw/zinc/95/59/92/1070955992.db2.gz PRTQMWQGABCMGR-HSZRJFAPSA-N 2 1 453.679 3.695 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313703826 1070988489 /nfs/dbraw/zinc/98/84/89/1070988489.db2.gz GSDXLVHHKNZMHF-AWRGLXIESA-N 2 1 454.663 3.591 20 0 JHADMP CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313715400 1071014086 /nfs/dbraw/zinc/01/40/86/1071014086.db2.gz ATCDOGUFTPNRMR-FQEVSTJZSA-N 2 1 490.643 3.569 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC001310151302 1071157407 /nfs/dbraw/zinc/15/74/07/1071157407.db2.gz RJARFWURNBLOSW-HSZRJFAPSA-N 2 1 457.663 3.747 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C ZINC001310151303 1071157419 /nfs/dbraw/zinc/15/74/19/1071157419.db2.gz RJARFWURNBLOSW-QHCPKHFHSA-N 2 1 457.663 3.747 20 0 JHADMP CC[N@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313810871 1071242901 /nfs/dbraw/zinc/24/29/01/1071242901.db2.gz NQQOAHUXTNVRHO-SZPZYZBQSA-N 2 1 481.689 3.713 20 0 JHADMP CC[N@@H+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313810871 1071242908 /nfs/dbraw/zinc/24/29/08/1071242908.db2.gz NQQOAHUXTNVRHO-SZPZYZBQSA-N 2 1 481.689 3.713 20 0 JHADMP CC[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313810871 1071242917 /nfs/dbraw/zinc/24/29/17/1071242917.db2.gz NQQOAHUXTNVRHO-SZPZYZBQSA-N 2 1 481.689 3.713 20 0 JHADMP CC[NH+](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001313810871 1071242929 /nfs/dbraw/zinc/24/29/29/1071242929.db2.gz NQQOAHUXTNVRHO-SZPZYZBQSA-N 2 1 481.689 3.713 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313811942 1071248712 /nfs/dbraw/zinc/24/87/12/1071248712.db2.gz MVMRQEVCTZFICA-OAQYLSRUSA-N 2 1 470.662 3.757 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314872804 1071288736 /nfs/dbraw/zinc/28/87/36/1071288736.db2.gz ORPKJWIROIOGBE-LJQANCHMSA-N 2 1 462.708 3.778 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314872804 1071288739 /nfs/dbraw/zinc/28/87/39/1071288739.db2.gz ORPKJWIROIOGBE-LJQANCHMSA-N 2 1 462.708 3.778 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314873117 1071289809 /nfs/dbraw/zinc/28/98/09/1071289809.db2.gz UNLSCGHQMRDNGK-UHFFFAOYSA-N 2 1 474.719 3.599 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccsc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001314873117 1071289824 /nfs/dbraw/zinc/28/98/24/1071289824.db2.gz UNLSCGHQMRDNGK-UHFFFAOYSA-N 2 1 474.719 3.599 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860451 1071370274 /nfs/dbraw/zinc/37/02/74/1071370274.db2.gz KZOGXBKBQQOQIF-URVUXULASA-N 2 1 472.678 3.858 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313868651 1071405392 /nfs/dbraw/zinc/40/53/92/1071405392.db2.gz VPXQMRSJRIMKNL-SCPDWHHUSA-N 2 1 453.679 3.935 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870090 1071411590 /nfs/dbraw/zinc/41/15/90/1071411590.db2.gz FNDMSCPOSWEFPJ-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870090 1071411591 /nfs/dbraw/zinc/41/15/91/1071411591.db2.gz FNDMSCPOSWEFPJ-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870090 1071411594 /nfs/dbraw/zinc/41/15/94/1071411594.db2.gz FNDMSCPOSWEFPJ-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870090 1071411597 /nfs/dbraw/zinc/41/15/97/1071411597.db2.gz FNDMSCPOSWEFPJ-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874279 1071427938 /nfs/dbraw/zinc/42/79/38/1071427938.db2.gz OLDXICNOYCZGHE-FUPPJEDESA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873623 1071425755 /nfs/dbraw/zinc/42/57/55/1071425755.db2.gz MOUCJIBBNPLHOL-UXHICEINSA-N 2 1 472.703 3.700 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313879267 1071449498 /nfs/dbraw/zinc/44/94/98/1071449498.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313879267 1071449506 /nfs/dbraw/zinc/44/95/06/1071449506.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313879267 1071449511 /nfs/dbraw/zinc/44/95/11/1071449511.db2.gz ZSNWATMVZIYPGK-FUPPJEDESA-N 2 1 454.663 3.671 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895295 1071496304 /nfs/dbraw/zinc/49/63/04/1071496304.db2.gz ZPIBMGUXVPLBMR-OQLXKQOESA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895295 1071496312 /nfs/dbraw/zinc/49/63/12/1071496312.db2.gz ZPIBMGUXVPLBMR-OQLXKQOESA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895295 1071496318 /nfs/dbraw/zinc/49/63/18/1071496318.db2.gz ZPIBMGUXVPLBMR-OQLXKQOESA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895295 1071496324 /nfs/dbraw/zinc/49/63/24/1071496324.db2.gz ZPIBMGUXVPLBMR-OQLXKQOESA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313906630 1071524920 /nfs/dbraw/zinc/52/49/20/1071524920.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313906630 1071524927 /nfs/dbraw/zinc/52/49/27/1071524927.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313906630 1071524935 /nfs/dbraw/zinc/52/49/35/1071524935.db2.gz YCBPETPDTIROQV-YPAWHYETSA-N 2 1 488.652 3.589 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548545 /nfs/dbraw/zinc/54/85/45/1071548545.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 2 1 470.710 3.604 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548551 /nfs/dbraw/zinc/54/85/51/1071548551.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 2 1 470.710 3.604 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001313914729 1071548556 /nfs/dbraw/zinc/54/85/56/1071548556.db2.gz UGXRCSSJQZEVBT-UMXIMWEHSA-N 2 1 470.710 3.604 20 0 JHADMP CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556908 /nfs/dbraw/zinc/55/69/08/1071556908.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556919 /nfs/dbraw/zinc/55/69/19/1071556919.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919437 1071556928 /nfs/dbraw/zinc/55/69/28/1071556928.db2.gz BMIHBPFGFYRTGF-RPWUZVMVSA-N 2 1 473.754 3.908 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313925383 1071573504 /nfs/dbraw/zinc/57/35/04/1071573504.db2.gz PHRUQGFHDBHPOT-AQNXPRMDSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313925383 1071573514 /nfs/dbraw/zinc/57/35/14/1071573514.db2.gz PHRUQGFHDBHPOT-AQNXPRMDSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313925383 1071573518 /nfs/dbraw/zinc/57/35/18/1071573518.db2.gz PHRUQGFHDBHPOT-AQNXPRMDSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313928482 1071583871 /nfs/dbraw/zinc/58/38/71/1071583871.db2.gz PJIFABVDAFBNOY-QHCPKHFHSA-N 2 1 499.723 3.592 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930236 1071588876 /nfs/dbraw/zinc/58/88/76/1071588876.db2.gz AKYMXNWNPQBOPB-LAUBAEHRSA-N 2 1 486.462 3.869 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594185 /nfs/dbraw/zinc/59/41/85/1071594185.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594192 /nfs/dbraw/zinc/59/41/92/1071594192.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313932011 1071594200 /nfs/dbraw/zinc/59/42/00/1071594200.db2.gz GQVWCVFUQOHCOJ-KSZLIROESA-N 2 1 478.483 3.687 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933178 1071597263 /nfs/dbraw/zinc/59/72/63/1071597263.db2.gz YFCYAQCOBCXBEM-JWQCQUIFSA-N 2 1 487.781 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313933879 1071599787 /nfs/dbraw/zinc/59/97/87/1071599787.db2.gz OBQLTFMNJGDHJW-KRWDZBQOSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941474 1071617421 /nfs/dbraw/zinc/61/74/21/1071617421.db2.gz UYMNSUXKJISSAI-PKTZIBPZSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618936 /nfs/dbraw/zinc/61/89/36/1071618936.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618941 /nfs/dbraw/zinc/61/89/41/1071618941.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618946 /nfs/dbraw/zinc/61/89/46/1071618946.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946873 1071630442 /nfs/dbraw/zinc/63/04/42/1071630442.db2.gz DQHAPBLQHZYMNZ-FKBYEOEOSA-N 2 1 489.709 3.612 20 0 JHADMP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313955155 1071654755 /nfs/dbraw/zinc/65/47/55/1071654755.db2.gz XZISSGNCIGHOBV-RPBOFIJWSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313955155 1071654757 /nfs/dbraw/zinc/65/47/57/1071654757.db2.gz XZISSGNCIGHOBV-RPBOFIJWSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313955155 1071654762 /nfs/dbraw/zinc/65/47/62/1071654762.db2.gz XZISSGNCIGHOBV-RPBOFIJWSA-N 2 1 481.733 3.514 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001305947425 1068264332 /nfs/dbraw/zinc/26/43/32/1068264332.db2.gz QDDSHSDIADSMIK-UHFFFAOYSA-N 2 1 481.733 3.846 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@H+]2CCCC[C@H]2CC)cc1 ZINC001305951434 1068275558 /nfs/dbraw/zinc/27/55/58/1068275558.db2.gz VFZHLHHIFUDWNE-XMMPIXPASA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC001305951434 1068275566 /nfs/dbraw/zinc/27/55/66/1068275566.db2.gz VFZHLHHIFUDWNE-XMMPIXPASA-N 2 1 454.663 3.540 20 0 JHADMP CCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306182327 1068573104 /nfs/dbraw/zinc/57/31/04/1068573104.db2.gz FCLCEUSCRQBAGB-VWLOTQADSA-N 2 1 468.690 3.690 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001306317641 1068738997 /nfs/dbraw/zinc/73/89/97/1068738997.db2.gz AUZCARMZKUBYEF-JOCHJYFZSA-N 2 1 472.678 3.906 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001306317641 1068739008 /nfs/dbraw/zinc/73/90/08/1068739008.db2.gz AUZCARMZKUBYEF-JOCHJYFZSA-N 2 1 472.678 3.906 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001306322413 1068753111 /nfs/dbraw/zinc/75/31/11/1068753111.db2.gz GXSQTDJGSAMHCY-HSZRJFAPSA-N 2 1 470.710 3.715 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306325246 1068761789 /nfs/dbraw/zinc/76/17/89/1068761789.db2.gz UFGGLTXPLVORMJ-HSZRJFAPSA-N 2 1 484.737 3.804 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306325246 1068761799 /nfs/dbraw/zinc/76/17/99/1068761799.db2.gz UFGGLTXPLVORMJ-HSZRJFAPSA-N 2 1 484.737 3.804 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001306386964 1068820333 /nfs/dbraw/zinc/82/03/33/1068820333.db2.gz MIIMWRZDHQZLRK-JWQCQUIFSA-N 2 1 468.690 3.839 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC001306390394 1068827736 /nfs/dbraw/zinc/82/77/36/1068827736.db2.gz RPJWMIINQVTUDR-DNVJHFABSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC001306390394 1068827743 /nfs/dbraw/zinc/82/77/43/1068827743.db2.gz RPJWMIINQVTUDR-DNVJHFABSA-N 2 1 460.711 3.777 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001306620436 1069306411 /nfs/dbraw/zinc/30/64/11/1069306411.db2.gz OYUCXSMAACWVCF-OAQYLSRUSA-N 2 1 490.718 3.611 20 0 JHADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164689903 719742330 /nfs/dbraw/zinc/74/23/30/719742330.db2.gz OGBAINVJPGEJSA-IBGZPJMESA-N 2 1 496.725 3.593 20 0 JHADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC2 ZINC001164689903 719742341 /nfs/dbraw/zinc/74/23/41/719742341.db2.gz OGBAINVJPGEJSA-IBGZPJMESA-N 2 1 496.725 3.593 20 0 JHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813530 720205211 /nfs/dbraw/zinc/20/52/11/720205211.db2.gz QUAVIRJVCZPHIS-NZQKXSOJSA-N 2 1 467.004 3.841 20 0 JHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842934 720534559 /nfs/dbraw/zinc/53/45/59/720534559.db2.gz ZASNPHMKPHGPTI-DXBVXKBHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842934 720534563 /nfs/dbraw/zinc/53/45/63/720534563.db2.gz ZASNPHMKPHGPTI-DXBVXKBHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842934 720534569 /nfs/dbraw/zinc/53/45/69/720534569.db2.gz ZASNPHMKPHGPTI-DXBVXKBHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842934 720534575 /nfs/dbraw/zinc/53/45/75/720534575.db2.gz ZASNPHMKPHGPTI-DXBVXKBHSA-N 2 1 471.653 3.609 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164839309 720727809 /nfs/dbraw/zinc/72/78/09/720727809.db2.gz KUJUEFIPORMKIS-DEOSSOPVSA-N 2 1 450.627 3.720 20 0 JHADMP Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164754999 720905808 /nfs/dbraw/zinc/90/58/08/720905808.db2.gz XSXLKROCEWDVAR-LVXARBLLSA-N 2 1 468.045 3.531 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746493 720906831 /nfs/dbraw/zinc/90/68/31/720906831.db2.gz AZAWDNNGSFBIEC-DFHRPNOPSA-N 2 1 489.620 3.890 20 0 JHADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919048 /nfs/dbraw/zinc/91/90/48/720919048.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919052 /nfs/dbraw/zinc/91/90/52/720919052.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754608 720919064 /nfs/dbraw/zinc/91/90/64/720919064.db2.gz WEHLQFFUVHHLJD-NAKRPHOHSA-N 2 1 461.654 3.826 20 0 JHADMP COc1cc2cc[nH+]c(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780024 721352309 /nfs/dbraw/zinc/35/23/09/721352309.db2.gz YMBMZLOUDKMYHL-SANMLTNESA-N 2 1 466.582 3.976 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973987 722122957 /nfs/dbraw/zinc/12/29/57/722122957.db2.gz IGSBVGAQEDPANM-RDGATRHJSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973987 722122962 /nfs/dbraw/zinc/12/29/62/722122962.db2.gz IGSBVGAQEDPANM-RDGATRHJSA-N 2 1 472.568 3.741 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H]2C)CC[N@H+]1CCOC ZINC001306633424 1069336293 /nfs/dbraw/zinc/33/62/93/1069336293.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001306633424 1069336307 /nfs/dbraw/zinc/33/63/07/1069336307.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001306633424 1069336317 /nfs/dbraw/zinc/33/63/17/1069336317.db2.gz BMWAYSZNOHNAEL-MOUTVQLLSA-N 2 1 490.737 3.618 20 0 JHADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069340974 /nfs/dbraw/zinc/34/09/74/1069340974.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069340989 /nfs/dbraw/zinc/34/09/89/1069340989.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357382 1069341003 /nfs/dbraw/zinc/34/10/03/1069341003.db2.gz HHBJBCYMGXGGTH-OZXSUGGESA-N 2 1 455.691 3.620 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379591 1069352953 /nfs/dbraw/zinc/35/29/53/1069352953.db2.gz DGGRXBRHOZORLW-ZEQRLZLVSA-N 2 1 455.691 3.849 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306679248 1069404445 /nfs/dbraw/zinc/40/44/45/1069404445.db2.gz PQWFFYHBVRAWIN-RUZDIDTESA-N 2 1 473.735 3.669 20 0 JHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497966 1069407524 /nfs/dbraw/zinc/40/75/24/1069407524.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 2 1 450.627 3.758 20 0 JHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC001311497966 1069407531 /nfs/dbraw/zinc/40/75/31/1069407531.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 2 1 450.627 3.758 20 0 JHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC001311497966 1069407536 /nfs/dbraw/zinc/40/75/36/1069407536.db2.gz SHFMDCKHMIXCES-ZUVQJFRASA-N 2 1 450.627 3.758 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001306681228 1069410046 /nfs/dbraw/zinc/41/00/46/1069410046.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001306681228 1069410049 /nfs/dbraw/zinc/41/00/49/1069410049.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001306681228 1069410054 /nfs/dbraw/zinc/41/00/54/1069410054.db2.gz UIIBZNRQGZPLRZ-QFIPXVFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001306685761 1069421471 /nfs/dbraw/zinc/42/14/71/1069421471.db2.gz KMYSUYYKRGYNQS-DEOSSOPVSA-N 2 1 454.663 3.882 20 0 JHADMP CN(C(=O)N[C@H](COc1ccccc1F)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001311526631 1069424063 /nfs/dbraw/zinc/42/40/63/1069424063.db2.gz XUXBZIBACKCSLU-ISKFKSNPSA-N 2 1 454.590 3.756 20 0 JHADMP CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311577252 1069446962 /nfs/dbraw/zinc/44/69/62/1069446962.db2.gz SEJWNHNBOFFOBA-ZRBLBEILSA-N 2 1 456.656 3.864 20 0 JHADMP CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311577252 1069446967 /nfs/dbraw/zinc/44/69/67/1069446967.db2.gz SEJWNHNBOFFOBA-ZRBLBEILSA-N 2 1 456.656 3.864 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306778696 1069574475 /nfs/dbraw/zinc/57/44/75/1069574475.db2.gz AVQRSUOIUWULLQ-SFHVURJKSA-N 2 1 492.510 3.699 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001306787379 1069591134 /nfs/dbraw/zinc/59/11/34/1069591134.db2.gz CCCHFHVTJCVGEX-HSZRJFAPSA-N 2 1 453.679 3.956 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001306789412 1069595463 /nfs/dbraw/zinc/59/54/63/1069595463.db2.gz PDNDKULILXLPPA-QHCPKHFHSA-N 2 1 470.710 3.572 20 0 JHADMP CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001307029677 1069736986 /nfs/dbraw/zinc/73/69/86/1069736986.db2.gz PZKIVDMOMPBGTJ-OAQYLSRUSA-N 2 1 487.737 3.629 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189282 1069747157 /nfs/dbraw/zinc/74/71/57/1069747157.db2.gz RJVWDZRDBQOGFE-GGAORHGYSA-N 2 1 454.663 3.997 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189282 1069747165 /nfs/dbraw/zinc/74/71/65/1069747165.db2.gz RJVWDZRDBQOGFE-GGAORHGYSA-N 2 1 454.663 3.997 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001314197167 1069778508 /nfs/dbraw/zinc/77/85/08/1069778508.db2.gz JZJGIJSXBURXBW-FDFHNCONSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001314197167 1069778512 /nfs/dbraw/zinc/77/85/12/1069778512.db2.gz JZJGIJSXBURXBW-FDFHNCONSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001314197167 1069778516 /nfs/dbraw/zinc/77/85/16/1069778516.db2.gz JZJGIJSXBURXBW-FDFHNCONSA-N 2 1 470.662 3.832 20 0 JHADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312266195 1069824421 /nfs/dbraw/zinc/82/44/21/1069824421.db2.gz PZDSVUBDJHPJIA-FQEVSTJZSA-N 2 1 451.453 3.833 20 0 JHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312266195 1069824452 /nfs/dbraw/zinc/82/44/52/1069824452.db2.gz PZDSVUBDJHPJIA-FQEVSTJZSA-N 2 1 451.453 3.833 20 0 JHADMP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001307526065 1070035136 /nfs/dbraw/zinc/03/51/36/1070035136.db2.gz PZUZLGOZROTVJJ-VWLOTQADSA-N 2 1 452.668 3.770 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312754889 1070105147 /nfs/dbraw/zinc/10/51/47/1070105147.db2.gz YXENQEYJMHLWER-HNNXBMFYSA-N 2 1 459.860 3.705 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC001312754889 1070105151 /nfs/dbraw/zinc/10/51/51/1070105151.db2.gz YXENQEYJMHLWER-HNNXBMFYSA-N 2 1 459.860 3.705 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001312887214 1070167973 /nfs/dbraw/zinc/16/79/73/1070167973.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 2 1 464.654 3.877 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001312887214 1070167979 /nfs/dbraw/zinc/16/79/79/1070167979.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 2 1 464.654 3.877 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001312887214 1070167983 /nfs/dbraw/zinc/16/79/83/1070167983.db2.gz ZRPLLINUPQSGRB-KWXIBIRDSA-N 2 1 464.654 3.877 20 0 JHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896332 1070229852 /nfs/dbraw/zinc/22/98/52/1070229852.db2.gz LHSGGZNKKAFBFV-SANMLTNESA-N 2 1 456.030 3.713 20 0 JHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896332 1070229867 /nfs/dbraw/zinc/22/98/67/1070229867.db2.gz LHSGGZNKKAFBFV-SANMLTNESA-N 2 1 456.030 3.713 20 0 JHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069161 1070301523 /nfs/dbraw/zinc/30/15/23/1070301523.db2.gz SAENZNSSLRJLOQ-DEOSSOPVSA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069161 1070301541 /nfs/dbraw/zinc/30/15/41/1070301541.db2.gz SAENZNSSLRJLOQ-DEOSSOPVSA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069161 1070301561 /nfs/dbraw/zinc/30/15/61/1070301561.db2.gz SAENZNSSLRJLOQ-DEOSSOPVSA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069161 1070301584 /nfs/dbraw/zinc/30/15/84/1070301584.db2.gz SAENZNSSLRJLOQ-DEOSSOPVSA-N 2 1 457.659 3.669 20 0 JHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc(OC(F)F)ccc2Br)c1 ZINC001308244378 1070345035 /nfs/dbraw/zinc/34/50/35/1070345035.db2.gz HNGWUGYCYQDEDK-UHFFFAOYSA-N 2 1 456.331 3.632 20 0 JHADMP CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001313450851 1070378703 /nfs/dbraw/zinc/37/87/03/1070378703.db2.gz OEIBBFOYTLHBLY-QHCPKHFHSA-N 2 1 468.690 3.942 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001313450851 1070378723 /nfs/dbraw/zinc/37/87/23/1070378723.db2.gz OEIBBFOYTLHBLY-QHCPKHFHSA-N 2 1 468.690 3.942 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294747 1070676667 /nfs/dbraw/zinc/67/66/67/1070676667.db2.gz KREFNUPIOOLHQK-IEZKXTBUSA-N 2 1 457.684 3.859 20 0 JHADMP C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654864 1070770160 /nfs/dbraw/zinc/77/01/60/1070770160.db2.gz ILAQRHSRIRMKCE-DHIUTWEWSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667799 1070802717 /nfs/dbraw/zinc/80/27/17/1070802717.db2.gz UESWFGJMQRHSIH-UHFFFAOYSA-N 2 1 454.663 3.593 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667799 1070802743 /nfs/dbraw/zinc/80/27/43/1070802743.db2.gz UESWFGJMQRHSIH-UHFFFAOYSA-N 2 1 454.663 3.593 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCOCC1(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677041 1070823141 /nfs/dbraw/zinc/82/31/41/1070823141.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCOCC1(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677041 1070823171 /nfs/dbraw/zinc/82/31/71/1070823171.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314677041 1070823202 /nfs/dbraw/zinc/82/32/02/1070823202.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314677041 1070823229 /nfs/dbraw/zinc/82/32/29/1070823229.db2.gz OTXPBNJZGTVVTG-HSZRJFAPSA-N 2 1 468.690 3.787 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001313655965 1070847045 /nfs/dbraw/zinc/84/70/45/1070847045.db2.gz BORHSQSMYRRWMJ-UQBPGWFLSA-N 2 1 492.615 3.578 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313665428 1070880201 /nfs/dbraw/zinc/88/02/01/1070880201.db2.gz DVMKBLNEYUYGRE-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314714011 1070902598 /nfs/dbraw/zinc/90/25/98/1070902598.db2.gz POSWMNDGCYMWHO-HSZRJFAPSA-N 2 1 468.690 3.860 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314714011 1070902616 /nfs/dbraw/zinc/90/26/16/1070902616.db2.gz POSWMNDGCYMWHO-HSZRJFAPSA-N 2 1 468.690 3.860 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001313694369 1070956672 /nfs/dbraw/zinc/95/66/72/1070956672.db2.gz IVTRVCSBAFXTOL-XMMPIXPASA-N 2 1 468.690 3.921 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001313698268 1070970333 /nfs/dbraw/zinc/97/03/33/1070970333.db2.gz WFCZWNJPHYHQSQ-IBGZPJMESA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313713627 1071010628 /nfs/dbraw/zinc/01/06/28/1071010628.db2.gz AZGHOKSLUAQZMP-QFIPXVFZSA-N 2 1 454.663 3.675 20 0 JHADMP CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313719097 1071019828 /nfs/dbraw/zinc/01/98/28/1071019828.db2.gz XRMVJRGSTPHNFJ-HXUWFJFHSA-N 2 1 461.054 3.631 20 0 JHADMP CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313719349 1071020104 /nfs/dbraw/zinc/02/01/04/1071020104.db2.gz OQCSATTUQJLXMF-SFTDATJTSA-N 2 1 460.692 3.849 20 0 JHADMP C[N@@H+](CCCn1c(N2CCC(C[NH+]3CCOCC3)CC2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314855642 1071236992 /nfs/dbraw/zinc/23/69/92/1071236992.db2.gz UFZGMVCZZHKBCZ-UHFFFAOYSA-N 2 1 460.711 3.779 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242591 /nfs/dbraw/zinc/24/25/91/1071242591.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242597 /nfs/dbraw/zinc/24/25/97/1071242597.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810755 1071242605 /nfs/dbraw/zinc/24/26/05/1071242605.db2.gz WQTYPIXGKNMOHG-WMZOPIPTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270364 /nfs/dbraw/zinc/27/03/64/1071270364.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 2 1 489.108 3.942 20 0 JHADMP CC[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270378 /nfs/dbraw/zinc/27/03/78/1071270378.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 2 1 489.108 3.942 20 0 JHADMP CC[NH+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818915 1071270386 /nfs/dbraw/zinc/27/03/86/1071270386.db2.gz SVDBAAVEVXKAFA-NRFANRHFSA-N 2 1 489.108 3.942 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362468 /nfs/dbraw/zinc/36/24/68/1071362468.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362477 /nfs/dbraw/zinc/36/24/77/1071362477.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@H]1C ZINC001313859157 1071362488 /nfs/dbraw/zinc/36/24/88/1071362488.db2.gz DYDLSGZBKVTIQQ-ZRCGQRJVSA-N 2 1 475.081 3.754 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368349 /nfs/dbraw/zinc/36/83/49/1071368349.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368365 /nfs/dbraw/zinc/36/83/65/1071368365.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860249 1071368378 /nfs/dbraw/zinc/36/83/78/1071368378.db2.gz NBFLVXHJUXSLQB-VXKWHMMOSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313860415 1071369971 /nfs/dbraw/zinc/36/99/71/1071369971.db2.gz KLOQBJMFFYMBKL-QHAWAJNXSA-N 2 1 464.662 3.984 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313863673 1071382640 /nfs/dbraw/zinc/38/26/40/1071382640.db2.gz WJWFYYOWEQSYGP-LEWJYISDSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313863673 1071382644 /nfs/dbraw/zinc/38/26/44/1071382644.db2.gz WJWFYYOWEQSYGP-LEWJYISDSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001313862720 1071378390 /nfs/dbraw/zinc/37/83/90/1071378390.db2.gz QQPVXWQDBDAJKX-SLFFLAALSA-N 2 1 476.666 3.525 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001313862719 1071378658 /nfs/dbraw/zinc/37/86/58/1071378658.db2.gz QQPVXWQDBDAJKX-HSALFYBXSA-N 2 1 476.666 3.525 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313866144 1071395056 /nfs/dbraw/zinc/39/50/56/1071395056.db2.gz DCRCZJGUEBKEBM-QZTJIDSGSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313866144 1071395067 /nfs/dbraw/zinc/39/50/67/1071395067.db2.gz DCRCZJGUEBKEBM-QZTJIDSGSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868076 1071402624 /nfs/dbraw/zinc/40/26/24/1071402624.db2.gz AIBAVMRTTNXGEJ-WATLYSKOSA-N 2 1 456.704 3.534 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313868849 1071406399 /nfs/dbraw/zinc/40/63/99/1071406399.db2.gz BNEQVFSGMDGOSQ-JXALWOEJSA-N 2 1 465.621 3.625 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313871117 1071415898 /nfs/dbraw/zinc/41/58/98/1071415898.db2.gz XBBKREYABZDSPE-BSRJHKFKSA-N 2 1 485.677 3.995 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873704 1071425710 /nfs/dbraw/zinc/42/57/10/1071425710.db2.gz LPHVIGYVIUDNNS-HWBMXIPRSA-N 2 1 461.658 3.794 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425726 /nfs/dbraw/zinc/42/57/26/1071425726.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425731 /nfs/dbraw/zinc/42/57/31/1071425731.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313873620 1071425737 /nfs/dbraw/zinc/42/57/37/1071425737.db2.gz MOFQCGGIJNJFSI-PCCBWWKXSA-N 2 1 458.626 3.504 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433507 /nfs/dbraw/zinc/43/35/07/1071433507.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433509 /nfs/dbraw/zinc/43/35/09/1071433509.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493759 1071433512 /nfs/dbraw/zinc/43/35/12/1071433512.db2.gz KZOFYVURUSLSCY-ISJGIBHGSA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878799 1071446002 /nfs/dbraw/zinc/44/60/02/1071446002.db2.gz VTSRGOGCBCVFDN-XZOQPEGZSA-N 2 1 454.663 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879147 1071447523 /nfs/dbraw/zinc/44/75/23/1071447523.db2.gz YHFMGGLTOOSOFB-UFPGJGBJSA-N 2 1 486.730 3.830 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313879269 1071449414 /nfs/dbraw/zinc/44/94/14/1071449414.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313879269 1071449417 /nfs/dbraw/zinc/44/94/17/1071449417.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313879269 1071449422 /nfs/dbraw/zinc/44/94/22/1071449422.db2.gz ZSNWATMVZIYPGK-QNWVGRARSA-N 2 1 454.663 3.671 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456028 /nfs/dbraw/zinc/45/60/28/1071456028.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456040 /nfs/dbraw/zinc/45/60/40/1071456040.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313881756 1071456049 /nfs/dbraw/zinc/45/60/49/1071456049.db2.gz CRJICTLTBFNOAJ-IIZPIQPGSA-N 2 1 489.709 3.752 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313889324 1071479265 /nfs/dbraw/zinc/47/92/65/1071479265.db2.gz XPCGFFYSWXVYIN-MOPGFXCFSA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313889324 1071479274 /nfs/dbraw/zinc/47/92/74/1071479274.db2.gz XPCGFFYSWXVYIN-MOPGFXCFSA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313889325 1071480059 /nfs/dbraw/zinc/48/00/59/1071480059.db2.gz XPCGFFYSWXVYIN-OALUTQOASA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313889325 1071480066 /nfs/dbraw/zinc/48/00/66/1071480066.db2.gz XPCGFFYSWXVYIN-OALUTQOASA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313892347 1071487862 /nfs/dbraw/zinc/48/78/62/1071487862.db2.gz DWLSQMBLPDOZDN-JOCHJYFZSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911961 1071538950 /nfs/dbraw/zinc/53/89/50/1071538950.db2.gz GCYWBQLCDHKMPN-OAQYLSRUSA-N 2 1 470.662 3.661 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934721 1071602955 /nfs/dbraw/zinc/60/29/55/1071602955.db2.gz VCVCCTUTSYJMJP-PGRDOPGGSA-N 2 1 452.603 3.688 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607380 /nfs/dbraw/zinc/60/73/80/1071607380.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607383 /nfs/dbraw/zinc/60/73/83/1071607383.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313935800 1071607384 /nfs/dbraw/zinc/60/73/84/1071607384.db2.gz YXSXWRLIELPQHI-DLBZAZTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614135 /nfs/dbraw/zinc/61/41/35/1071614135.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614136 /nfs/dbraw/zinc/61/41/36/1071614136.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939923 1071614137 /nfs/dbraw/zinc/61/41/37/1071614137.db2.gz HVAJCPAXVPUPDC-NHCUHLMSSA-N 2 1 452.672 3.981 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313941363 1071616815 /nfs/dbraw/zinc/61/68/15/1071616815.db2.gz BQNFHMVVQHPHRS-HXUWFJFHSA-N 2 1 465.646 3.890 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313941363 1071616823 /nfs/dbraw/zinc/61/68/23/1071616823.db2.gz BQNFHMVVQHPHRS-HXUWFJFHSA-N 2 1 465.646 3.890 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629884 /nfs/dbraw/zinc/62/98/84/1071629884.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629888 /nfs/dbraw/zinc/62/98/88/1071629888.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313946808 1071629892 /nfs/dbraw/zinc/62/98/92/1071629892.db2.gz CDOZXEJCPAJYPE-PKTZIBPZSA-N 2 1 484.689 3.764 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125667 1072033502 /nfs/dbraw/zinc/03/35/02/1072033502.db2.gz OZXQOHMWBUUUGL-XFAFFCHDSA-N 2 1 490.737 3.609 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125667 1072033509 /nfs/dbraw/zinc/03/35/09/1072033509.db2.gz OZXQOHMWBUUUGL-XFAFFCHDSA-N 2 1 490.737 3.609 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125667 1072033517 /nfs/dbraw/zinc/03/35/17/1072033517.db2.gz OZXQOHMWBUUUGL-XFAFFCHDSA-N 2 1 490.737 3.609 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001305985069 1068334060 /nfs/dbraw/zinc/33/40/60/1068334060.db2.gz DOWYKQDBLFZDIV-LEWJYISDSA-N 2 1 454.663 3.680 20 0 JHADMP CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306134989 1068537791 /nfs/dbraw/zinc/53/77/91/1068537791.db2.gz RGFSBDBEIJMUJY-UPVQGACJSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306134989 1068537796 /nfs/dbraw/zinc/53/77/96/1068537796.db2.gz RGFSBDBEIJMUJY-UPVQGACJSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001306318146 1068740745 /nfs/dbraw/zinc/74/07/45/1068740745.db2.gz FDSRTFMYYCLBHP-OAQYLSRUSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001306318146 1068740752 /nfs/dbraw/zinc/74/07/52/1068740752.db2.gz FDSRTFMYYCLBHP-OAQYLSRUSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306318146 1068740756 /nfs/dbraw/zinc/74/07/56/1068740756.db2.gz FDSRTFMYYCLBHP-OAQYLSRUSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306318146 1068740765 /nfs/dbraw/zinc/74/07/65/1068740765.db2.gz FDSRTFMYYCLBHP-OAQYLSRUSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001306418844 1068910578 /nfs/dbraw/zinc/91/05/78/1068910578.db2.gz JYRIEOQLEOTNKE-JOCHJYFZSA-N 2 1 472.653 3.753 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC001306423387 1068916473 /nfs/dbraw/zinc/91/64/73/1068916473.db2.gz LEYYGNIYLROWEC-HXUWFJFHSA-N 2 1 467.662 3.561 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306432636 1068934287 /nfs/dbraw/zinc/93/42/87/1068934287.db2.gz GAKAZPVGLGGNNK-VSKRKVRLSA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306432636 1068934294 /nfs/dbraw/zinc/93/42/94/1068934294.db2.gz GAKAZPVGLGGNNK-VSKRKVRLSA-N 2 1 460.711 3.534 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)CC[N@H+]1CCOC ZINC001306620518 1069306155 /nfs/dbraw/zinc/30/61/55/1069306155.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 2 1 473.065 3.798 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001306620518 1069306170 /nfs/dbraw/zinc/30/61/70/1069306170.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 2 1 473.065 3.798 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001306620518 1069306188 /nfs/dbraw/zinc/30/61/88/1069306188.db2.gz PTLTUNUSGUWVLK-HSZRJFAPSA-N 2 1 473.065 3.798 20 0 JHADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643613 719228517 /nfs/dbraw/zinc/22/85/17/719228517.db2.gz ZPIZVBDQRPLMTG-ROUUACIJSA-N 2 1 455.002 3.926 20 0 JHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643613 719228524 /nfs/dbraw/zinc/22/85/24/719228524.db2.gz ZPIZVBDQRPLMTG-ROUUACIJSA-N 2 1 455.002 3.926 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664186 719357724 /nfs/dbraw/zinc/35/77/24/719357724.db2.gz LVABJFUPBPNBOZ-CUBQBAPOSA-N 2 1 493.700 3.998 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664186 719357725 /nfs/dbraw/zinc/35/77/25/719357725.db2.gz LVABJFUPBPNBOZ-CUBQBAPOSA-N 2 1 493.700 3.998 20 0 JHADMP Fc1cccnc1N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692076 719761428 /nfs/dbraw/zinc/76/14/28/719761428.db2.gz RLASTIORAWEUCC-AMGIVPHBSA-N 2 1 459.569 3.833 20 0 JHADMP Clc1ccc(CN2CCCC2)c(N(c2nc(N3CCCC3)nc3c2CNCC3)C2CC2)n1 ZINC001164841962 720743849 /nfs/dbraw/zinc/74/38/49/720743849.db2.gz BDDLRTSNMPQKTM-UHFFFAOYSA-N 2 1 454.022 3.667 20 0 JHADMP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747237 720873865 /nfs/dbraw/zinc/87/38/65/720873865.db2.gz AUJVEJLJZXRVES-SHQCIBLASA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164747237 720873868 /nfs/dbraw/zinc/87/38/68/720873868.db2.gz AUJVEJLJZXRVES-SHQCIBLASA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164747237 720873869 /nfs/dbraw/zinc/87/38/69/720873869.db2.gz AUJVEJLJZXRVES-SHQCIBLASA-N 2 1 462.642 3.535 20 0 JHADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864419 720876268 /nfs/dbraw/zinc/87/62/68/720876268.db2.gz VRTFHRJLXHZVGQ-UNMCSNQZSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864419 720876269 /nfs/dbraw/zinc/87/62/69/720876269.db2.gz VRTFHRJLXHZVGQ-UNMCSNQZSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)CC[C@H]2C1 ZINC001164861309 720876601 /nfs/dbraw/zinc/87/66/01/720876601.db2.gz PNOVVPAKGOZKHX-JAXLGGSGSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)CC[C@H]2C1 ZINC001164861309 720876603 /nfs/dbraw/zinc/87/66/03/720876603.db2.gz PNOVVPAKGOZKHX-JAXLGGSGSA-N 2 1 499.725 3.585 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747355 720908738 /nfs/dbraw/zinc/90/87/38/720908738.db2.gz CTBYEPYGHKFFMX-IAPPQJPRSA-N 2 1 461.654 3.828 20 0 JHADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918418 /nfs/dbraw/zinc/91/84/18/720918418.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918432 /nfs/dbraw/zinc/91/84/32/720918432.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754607 720918451 /nfs/dbraw/zinc/91/84/51/720918451.db2.gz WEHLQFFUVHHLJD-LSYYVWMOSA-N 2 1 461.654 3.826 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866726 721195135 /nfs/dbraw/zinc/19/51/35/721195135.db2.gz CHJHCRVCZHDANG-RTWAWAEBSA-N 2 1 475.971 3.531 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768737 721201262 /nfs/dbraw/zinc/20/12/62/721201262.db2.gz LQFPCHHNGXQUBH-SFTDATJTSA-N 2 1 467.687 3.842 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768737 721201274 /nfs/dbraw/zinc/20/12/74/721201274.db2.gz LQFPCHHNGXQUBH-SFTDATJTSA-N 2 1 467.687 3.842 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897467 721446277 /nfs/dbraw/zinc/44/62/77/721446277.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897467 721446279 /nfs/dbraw/zinc/44/62/79/721446279.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897467 721446281 /nfs/dbraw/zinc/44/62/81/721446281.db2.gz UDQGJRVQQCBJSE-SLQPCKNISA-N 2 1 455.691 3.784 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165049149 721973730 /nfs/dbraw/zinc/97/37/30/721973730.db2.gz NUOCEBSNYCLZIP-FGZHOGPDSA-N 2 1 471.690 3.725 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165049149 721973734 /nfs/dbraw/zinc/97/37/34/721973734.db2.gz NUOCEBSNYCLZIP-FGZHOGPDSA-N 2 1 471.690 3.725 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001306647904 1069360503 /nfs/dbraw/zinc/36/05/03/1069360503.db2.gz QJBNMSDQMJGVCT-HXUWFJFHSA-N 2 1 458.626 3.506 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306682068 1069412499 /nfs/dbraw/zinc/41/24/99/1069412499.db2.gz BBRMFHDGLZQPBM-UHFFFAOYSA-N 2 1 475.081 3.879 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306681241 1069409707 /nfs/dbraw/zinc/40/97/07/1069409707.db2.gz UNMQJXKANNCTRL-DHIUTWEWSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306681241 1069409712 /nfs/dbraw/zinc/40/97/12/1069409712.db2.gz UNMQJXKANNCTRL-DHIUTWEWSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306681241 1069409720 /nfs/dbraw/zinc/40/97/20/1069409720.db2.gz UNMQJXKANNCTRL-DHIUTWEWSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306725883 1069466979 /nfs/dbraw/zinc/46/69/79/1069466979.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306725883 1069466991 /nfs/dbraw/zinc/46/69/91/1069466991.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001306725883 1069466997 /nfs/dbraw/zinc/46/69/97/1069466997.db2.gz HQEKIHLROGWMKE-KNQAVFIVSA-N 2 1 459.708 3.819 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001311757947 1069534916 /nfs/dbraw/zinc/53/49/16/1069534916.db2.gz DYDLPHYMKKHWFB-VWLOTQADSA-N 2 1 450.627 3.729 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC001306787396 1069591238 /nfs/dbraw/zinc/59/12/38/1069591238.db2.gz CJKJABPWDHERRY-ZDXQCDESSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306787396 1069591242 /nfs/dbraw/zinc/59/12/42/1069591242.db2.gz CJKJABPWDHERRY-ZDXQCDESSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306787396 1069591250 /nfs/dbraw/zinc/59/12/50/1069591250.db2.gz CJKJABPWDHERRY-ZDXQCDESSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001306805725 1069617340 /nfs/dbraw/zinc/61/73/40/1069617340.db2.gz WXOCROSRXNQDDW-UHFFFAOYSA-N 2 1 454.667 3.559 20 0 JHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311998601 1069658946 /nfs/dbraw/zinc/65/89/46/1069658946.db2.gz WOWXWXCYSSZGLP-AOJNWGRGSA-N 2 1 450.627 3.801 20 0 JHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311998601 1069658950 /nfs/dbraw/zinc/65/89/50/1069658950.db2.gz WOWXWXCYSSZGLP-AOJNWGRGSA-N 2 1 450.627 3.801 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@@H+](C)C(C)C)cc1OC ZINC001314169817 1069678023 /nfs/dbraw/zinc/67/80/23/1069678023.db2.gz NUBHVOPRNVUQQI-UNMCSNQZSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169817 1069678025 /nfs/dbraw/zinc/67/80/25/1069678025.db2.gz NUBHVOPRNVUQQI-UNMCSNQZSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169817 1069678028 /nfs/dbraw/zinc/67/80/28/1069678028.db2.gz NUBHVOPRNVUQQI-UNMCSNQZSA-N 2 1 470.662 3.756 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001312065593 1069700987 /nfs/dbraw/zinc/70/09/87/1069700987.db2.gz SVOHXMNNXZEVEH-PQNGQFLHSA-N 2 1 455.672 3.641 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001312065593 1069700998 /nfs/dbraw/zinc/70/09/98/1069700998.db2.gz SVOHXMNNXZEVEH-PQNGQFLHSA-N 2 1 455.672 3.641 20 0 JHADMP CO[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC001312096441 1069718500 /nfs/dbraw/zinc/71/85/00/1069718500.db2.gz BBJKYGDZOVTXTP-HSZRJFAPSA-N 2 1 451.055 3.865 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC001307035452 1069753554 /nfs/dbraw/zinc/75/35/54/1069753554.db2.gz UMTFGRTXJGXAOB-NZQKXSOJSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC001307035452 1069753565 /nfs/dbraw/zinc/75/35/65/1069753565.db2.gz UMTFGRTXJGXAOB-NZQKXSOJSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)C1 ZINC001307035452 1069753577 /nfs/dbraw/zinc/75/35/77/1069753577.db2.gz UMTFGRTXJGXAOB-NZQKXSOJSA-N 2 1 475.081 3.877 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165011 1069759796 /nfs/dbraw/zinc/75/97/96/1069759796.db2.gz OCFRGVPBRSXSBS-KVVRFYPFSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165011 1069759804 /nfs/dbraw/zinc/75/98/04/1069759804.db2.gz OCFRGVPBRSXSBS-KVVRFYPFSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165011 1069759809 /nfs/dbraw/zinc/75/98/09/1069759809.db2.gz OCFRGVPBRSXSBS-KVVRFYPFSA-N 2 1 464.654 3.876 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001307039459 1069764381 /nfs/dbraw/zinc/76/43/81/1069764381.db2.gz AOXVCAUPRAFRAN-OAQYLSRUSA-N 2 1 454.663 3.576 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307047803 1069791367 /nfs/dbraw/zinc/79/13/67/1069791367.db2.gz AFQMUZHDPWSLIJ-RUZDIDTESA-N 2 1 486.680 3.675 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001307051063 1069802900 /nfs/dbraw/zinc/80/29/00/1069802900.db2.gz VYZIKWFGMQBNAQ-IBGZPJMESA-N 2 1 478.483 3.831 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053971 1069814588 /nfs/dbraw/zinc/81/45/88/1069814588.db2.gz JNTVOJVQRQPQJC-VXNXHJTFSA-N 2 1 459.727 3.661 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486860 1069966355 /nfs/dbraw/zinc/96/63/55/1069966355.db2.gz CXCBDSHYQINYSZ-ZODMCCGTSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486860 1069966366 /nfs/dbraw/zinc/96/63/66/1069966366.db2.gz CXCBDSHYQINYSZ-ZODMCCGTSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001312486860 1069966375 /nfs/dbraw/zinc/96/63/75/1069966375.db2.gz CXCBDSHYQINYSZ-ZODMCCGTSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001312486860 1069966390 /nfs/dbraw/zinc/96/63/90/1069966390.db2.gz CXCBDSHYQINYSZ-ZODMCCGTSA-N 2 1 452.668 3.671 20 0 JHADMP Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC001307455567 1069995669 /nfs/dbraw/zinc/99/56/69/1069995669.db2.gz RUEQQVUOJZNHFD-UHFFFAOYSA-N 2 1 450.627 3.916 20 0 JHADMP Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC001307455567 1069995687 /nfs/dbraw/zinc/99/56/87/1069995687.db2.gz RUEQQVUOJZNHFD-UHFFFAOYSA-N 2 1 450.627 3.916 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671516 1070115580 /nfs/dbraw/zinc/11/55/80/1070115580.db2.gz XJTZWTSZMMMZHP-TWOQFEAHSA-N 2 1 452.521 3.535 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671516 1070115584 /nfs/dbraw/zinc/11/55/84/1070115584.db2.gz XJTZWTSZMMMZHP-TWOQFEAHSA-N 2 1 452.521 3.535 20 0 JHADMP COc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716971 1070142596 /nfs/dbraw/zinc/14/25/96/1070142596.db2.gz PWCOMFWVMPPUGX-QHCPKHFHSA-N 2 1 455.599 3.931 20 0 JHADMP COc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716971 1070142604 /nfs/dbraw/zinc/14/26/04/1070142604.db2.gz PWCOMFWVMPPUGX-QHCPKHFHSA-N 2 1 455.599 3.931 20 0 JHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165924 /nfs/dbraw/zinc/16/59/24/1070165924.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 2 1 458.647 3.688 20 0 JHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165931 /nfs/dbraw/zinc/16/59/31/1070165931.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 2 1 458.647 3.688 20 0 JHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750285 1070165935 /nfs/dbraw/zinc/16/59/35/1070165935.db2.gz HTVSDFWFVFHBTJ-OAQYLSRUSA-N 2 1 458.647 3.688 20 0 JHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038792 1070230799 /nfs/dbraw/zinc/23/07/99/1070230799.db2.gz BYUIQPCZMRNNDG-RPBOFIJWSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038792 1070230809 /nfs/dbraw/zinc/23/08/09/1070230809.db2.gz BYUIQPCZMRNNDG-RPBOFIJWSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001313038792 1070230823 /nfs/dbraw/zinc/23/08/23/1070230823.db2.gz BYUIQPCZMRNNDG-RPBOFIJWSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001313038792 1070230834 /nfs/dbraw/zinc/23/08/34/1070230834.db2.gz BYUIQPCZMRNNDG-RPBOFIJWSA-N 2 1 450.627 3.823 20 0 JHADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)c1OCC(N)=O ZINC001308344170 1070359316 /nfs/dbraw/zinc/35/93/16/1070359316.db2.gz XRUVCOGSXVJKOE-JAXLGGSGSA-N 2 1 458.002 3.603 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001313447115 1070365545 /nfs/dbraw/zinc/36/55/45/1070365545.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001313447115 1070365555 /nfs/dbraw/zinc/36/55/55/1070365555.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313447115 1070365571 /nfs/dbraw/zinc/36/55/71/1070365571.db2.gz IVMWYVXXIZHHAN-SJBKTWHCSA-N 2 1 470.662 3.756 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001314497050 1070419846 /nfs/dbraw/zinc/41/98/46/1070419846.db2.gz WSBMQSSAKRWLCN-HXUWFJFHSA-N 2 1 461.054 3.631 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314499152 1070426520 /nfs/dbraw/zinc/42/65/20/1070426520.db2.gz MEIUWDATVCBVLL-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314499152 1070426525 /nfs/dbraw/zinc/42/65/25/1070426525.db2.gz MEIUWDATVCBVLL-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314499152 1070426531 /nfs/dbraw/zinc/42/65/31/1070426531.db2.gz MEIUWDATVCBVLL-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255605 1070648175 /nfs/dbraw/zinc/64/81/75/1070648175.db2.gz XZPZHSDBHLLUKW-DSNGMDLFSA-N 2 1 459.631 3.540 20 0 JHADMP CC(C)COc1ccc(S(=O)(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001309259990 1070651721 /nfs/dbraw/zinc/65/17/21/1070651721.db2.gz QIAZAMICCYABLK-UHFFFAOYSA-N 2 1 451.677 3.538 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCOCC1(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314677042 1070822785 /nfs/dbraw/zinc/82/27/85/1070822785.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCOCC1(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314677042 1070822811 /nfs/dbraw/zinc/82/28/11/1070822811.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314677042 1070822837 /nfs/dbraw/zinc/82/28/37/1070822837.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 2 1 468.690 3.787 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314677042 1070822867 /nfs/dbraw/zinc/82/28/67/1070822867.db2.gz OTXPBNJZGTVVTG-QHCPKHFHSA-N 2 1 468.690 3.787 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313667418 1070889670 /nfs/dbraw/zinc/88/96/70/1070889670.db2.gz XYBJBSHRBIQDGH-QHAWAJNXSA-N 2 1 460.692 3.847 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001313698269 1070970114 /nfs/dbraw/zinc/97/01/14/1070970114.db2.gz WFCZWNJPHYHQSQ-LJQANCHMSA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001313702587 1070984806 /nfs/dbraw/zinc/98/48/06/1070984806.db2.gz PQUINNKXHUBKRP-HXUWFJFHSA-N 2 1 475.081 3.877 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001313702587 1070984809 /nfs/dbraw/zinc/98/48/09/1070984809.db2.gz PQUINNKXHUBKRP-HXUWFJFHSA-N 2 1 475.081 3.877 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705806 1070994336 /nfs/dbraw/zinc/99/43/36/1070994336.db2.gz VFSLXJQUJUZQKT-QPPBQGQZSA-N 2 1 468.690 3.623 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC[NH+](CC)CC)C2)CC1 ZINC001313712666 1071009520 /nfs/dbraw/zinc/00/95/20/1071009520.db2.gz RIEUENMRYGDDRI-NRFANRHFSA-N 2 1 492.087 3.686 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313715633 1071014582 /nfs/dbraw/zinc/01/45/82/1071014582.db2.gz KWSZDRKHVQOOPQ-FCHUYYIVSA-N 2 1 456.683 3.501 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313715634 1071014763 /nfs/dbraw/zinc/01/47/63/1071014763.db2.gz KWSZDRKHVQOOPQ-FGZHOGPDSA-N 2 1 456.683 3.501 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313802924 1071209851 /nfs/dbraw/zinc/20/98/51/1071209851.db2.gz KUPPIDUUHNXESU-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001313813900 1071255977 /nfs/dbraw/zinc/25/59/77/1071255977.db2.gz HHSQSLZMPMJXNW-LEWJYISDSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001313813900 1071255987 /nfs/dbraw/zinc/25/59/87/1071255987.db2.gz HHSQSLZMPMJXNW-LEWJYISDSA-N 2 1 460.692 3.847 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001314873093 1071290003 /nfs/dbraw/zinc/29/00/03/1071290003.db2.gz TXKSNTAVAKRJRL-XMMPIXPASA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001314873093 1071290011 /nfs/dbraw/zinc/29/00/11/1071290011.db2.gz TXKSNTAVAKRJRL-XMMPIXPASA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314873093 1071290018 /nfs/dbraw/zinc/29/00/18/1071290018.db2.gz TXKSNTAVAKRJRL-XMMPIXPASA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314873093 1071290025 /nfs/dbraw/zinc/29/00/25/1071290025.db2.gz TXKSNTAVAKRJRL-XMMPIXPASA-N 2 1 482.717 3.731 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858900 1071361050 /nfs/dbraw/zinc/36/10/50/1071361050.db2.gz CKMLAXMGZQIIQW-HKBOAZHASA-N 2 1 458.626 3.962 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001313858749 1071361777 /nfs/dbraw/zinc/36/17/77/1071361777.db2.gz HURZHRAFVZNWFP-FDFHNCONSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001313858749 1071361785 /nfs/dbraw/zinc/36/17/85/1071361785.db2.gz HURZHRAFVZNWFP-FDFHNCONSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001313858749 1071361795 /nfs/dbraw/zinc/36/17/95/1071361795.db2.gz HURZHRAFVZNWFP-FDFHNCONSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001313858749 1071361803 /nfs/dbraw/zinc/36/18/03/1071361803.db2.gz HURZHRAFVZNWFP-FDFHNCONSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859782 1071365446 /nfs/dbraw/zinc/36/54/46/1071365446.db2.gz ICAOYHHSNOYUQK-AOHZBQACSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313868074 1071402663 /nfs/dbraw/zinc/40/26/63/1071402663.db2.gz AIBAVMRTTNXGEJ-STWLZBDKSA-N 2 1 456.704 3.534 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001310462467 1071405060 /nfs/dbraw/zinc/40/50/60/1071405060.db2.gz QMEGOMZXBZFBAT-HXUWFJFHSA-N 2 1 452.525 3.771 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412160 /nfs/dbraw/zinc/41/21/60/1071412160.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412169 /nfs/dbraw/zinc/41/21/69/1071412169.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412176 /nfs/dbraw/zinc/41/21/76/1071412176.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412183 /nfs/dbraw/zinc/41/21/83/1071412183.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313870589 1071414244 /nfs/dbraw/zinc/41/42/44/1071414244.db2.gz DWVUICDEGXRCQL-HFMPRLQTSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313870589 1071414247 /nfs/dbraw/zinc/41/42/47/1071414247.db2.gz DWVUICDEGXRCQL-HFMPRLQTSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871796 1071418312 /nfs/dbraw/zinc/41/83/12/1071418312.db2.gz HNXWSSFPTGETSG-FUDKSRODSA-N 2 1 456.679 3.773 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC001313872200 1071419789 /nfs/dbraw/zinc/41/97/89/1071419789.db2.gz VIMFOUDEZFPDJW-PKTZIBPZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313873625 1071425583 /nfs/dbraw/zinc/42/55/83/1071425583.db2.gz MOUCJIBBNPLHOL-WOJBJXKFSA-N 2 1 472.703 3.700 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874281 1071427863 /nfs/dbraw/zinc/42/78/63/1071427863.db2.gz OLDXICNOYCZGHE-QNWVGRARSA-N 2 1 454.663 3.993 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310490951 1071430111 /nfs/dbraw/zinc/43/01/11/1071430111.db2.gz RREDKTMPFJLYIS-VWLOTQADSA-N 2 1 459.679 3.614 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879145 1071447696 /nfs/dbraw/zinc/44/76/96/1071447696.db2.gz YHFMGGLTOOSOFB-MCEYFSPLSA-N 2 1 486.730 3.830 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071455961 /nfs/dbraw/zinc/45/59/61/1071455961.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071455980 /nfs/dbraw/zinc/45/59/80/1071455980.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313881758 1071455985 /nfs/dbraw/zinc/45/59/85/1071455985.db2.gz CRJICTLTBFNOAJ-XWUOBKMESA-N 2 1 489.709 3.752 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886870 1071471480 /nfs/dbraw/zinc/47/14/80/1071471480.db2.gz BYWHVODTJGJWBC-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313886870 1071471485 /nfs/dbraw/zinc/47/14/85/1071471485.db2.gz BYWHVODTJGJWBC-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313886870 1071471504 /nfs/dbraw/zinc/47/15/04/1071471504.db2.gz BYWHVODTJGJWBC-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313904468 1071518345 /nfs/dbraw/zinc/51/83/45/1071518345.db2.gz IIRLZBSGZGZUAP-OAQYLSRUSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313904468 1071518362 /nfs/dbraw/zinc/51/83/62/1071518362.db2.gz IIRLZBSGZGZUAP-OAQYLSRUSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313904468 1071518379 /nfs/dbraw/zinc/51/83/79/1071518379.db2.gz IIRLZBSGZGZUAP-OAQYLSRUSA-N 2 1 472.703 3.984 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548581 /nfs/dbraw/zinc/54/85/81/1071548581.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 2 1 470.710 3.604 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548586 /nfs/dbraw/zinc/54/85/86/1071548586.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 2 1 470.710 3.604 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001313914728 1071548589 /nfs/dbraw/zinc/54/85/89/1071548589.db2.gz UGXRCSSJQZEVBT-QQKQFIJSSA-N 2 1 470.710 3.604 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313930261 1071588962 /nfs/dbraw/zinc/58/89/62/1071588962.db2.gz AULWWPXMYHYRIK-INIZCTEOSA-N 2 1 490.425 3.972 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313930261 1071588965 /nfs/dbraw/zinc/58/89/65/1071588965.db2.gz AULWWPXMYHYRIK-INIZCTEOSA-N 2 1 490.425 3.972 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933272 1071597927 /nfs/dbraw/zinc/59/79/27/1071597927.db2.gz YLQNWOLPBOMAGH-QFIPXVFZSA-N 2 1 459.727 3.520 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933186 1071597980 /nfs/dbraw/zinc/59/79/80/1071597980.db2.gz YFCYAQCOBCXBEM-RPBOFIJWSA-N 2 1 487.781 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313934018 1071600552 /nfs/dbraw/zinc/60/05/52/1071600552.db2.gz RIYGZJLQZVJKMS-KRWDZBQOSA-N 2 1 481.472 3.629 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934254 1071601742 /nfs/dbraw/zinc/60/17/42/1071601742.db2.gz SUGBYZUHCQQPAH-FOIQADDNSA-N 2 1 499.548 3.737 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604272 /nfs/dbraw/zinc/60/42/72/1071604272.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604274 /nfs/dbraw/zinc/60/42/74/1071604274.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313934991 1071604279 /nfs/dbraw/zinc/60/42/79/1071604279.db2.gz UOVKZUMIPZPEBV-MOPGFXCFSA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934985 1071604346 /nfs/dbraw/zinc/60/43/46/1071604346.db2.gz UKJKECHEHKZOTF-GBXCKJPGSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940465 1071614940 /nfs/dbraw/zinc/61/49/40/1071614940.db2.gz MCAYEBYWJSHVIZ-LPHOPBHVSA-N 2 1 459.689 3.529 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945544 1071626827 /nfs/dbraw/zinc/62/68/27/1071626827.db2.gz QGDFVGQQDKOTFF-FQEVSTJZSA-N 2 1 492.087 3.542 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001313951088 1071640656 /nfs/dbraw/zinc/64/06/56/1071640656.db2.gz FEOLCRMTYKSPIR-RUZDIDTESA-N 2 1 473.754 3.912 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313952649 1071646591 /nfs/dbraw/zinc/64/65/91/1071646591.db2.gz SMULUFJUCIUJNV-UHFFFAOYSA-N 2 1 473.754 3.912 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127100 1072037250 /nfs/dbraw/zinc/03/72/50/1072037250.db2.gz UZVPLJDIBWGDKD-AJTFRIOCSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127100 1072037255 /nfs/dbraw/zinc/03/72/55/1072037255.db2.gz UZVPLJDIBWGDKD-AJTFRIOCSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127100 1072037259 /nfs/dbraw/zinc/03/72/59/1072037259.db2.gz UZVPLJDIBWGDKD-AJTFRIOCSA-N 2 1 490.737 3.751 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001305985468 1068335464 /nfs/dbraw/zinc/33/54/64/1068335464.db2.gz NZAIRQLOMMHFHC-UHFFFAOYSA-N 2 1 465.646 3.935 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001305985468 1068335478 /nfs/dbraw/zinc/33/54/78/1068335478.db2.gz NZAIRQLOMMHFHC-UHFFFAOYSA-N 2 1 465.646 3.935 20 0 JHADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306136157 1068538914 /nfs/dbraw/zinc/53/89/14/1068538914.db2.gz JJPSJMLAVILSKT-CWBXHPNXSA-N 2 1 460.711 3.534 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306195465 1068587092 /nfs/dbraw/zinc/58/70/92/1068587092.db2.gz QEGVDMJAZKNJAG-NRFANRHFSA-N 2 1 484.689 3.622 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306319811 1068747392 /nfs/dbraw/zinc/74/73/92/1068747392.db2.gz XHZLDJWNUNFBRP-IFMALSPDSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306319811 1068747398 /nfs/dbraw/zinc/74/73/98/1068747398.db2.gz XHZLDJWNUNFBRP-IFMALSPDSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@H]1[NH+]1CCOCC1 ZINC001306386965 1068820376 /nfs/dbraw/zinc/82/03/76/1068820376.db2.gz MIIMWRZDHQZLRK-LOSJGSFVSA-N 2 1 468.690 3.839 20 0 JHADMP CC[C@H](Cn1c(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390418 1068829279 /nfs/dbraw/zinc/82/92/79/1068829279.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@H](Cn1c(N2CC[NH+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390418 1068829287 /nfs/dbraw/zinc/82/92/87/1068829287.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@H](Cn1c(N2CC[NH+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390418 1068829301 /nfs/dbraw/zinc/82/93/01/1068829301.db2.gz RVYKLPJXJGJPFV-LOSJGSFVSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306402488 1068863946 /nfs/dbraw/zinc/86/39/46/1068863946.db2.gz BAGSXNCGRXDYHZ-DHIUTWEWSA-N 2 1 484.620 3.836 20 0 JHADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306405070 1068871812 /nfs/dbraw/zinc/87/18/12/1068871812.db2.gz YEQCQTPOOIIFKT-VIZSFHNOSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306405070 1068871819 /nfs/dbraw/zinc/87/18/19/1068871819.db2.gz YEQCQTPOOIIFKT-VIZSFHNOSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306408402 1068885308 /nfs/dbraw/zinc/88/53/08/1068885308.db2.gz ILDFTPFWJCWHJT-IBGZPJMESA-N 2 1 481.472 3.895 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC001306408333 1068885395 /nfs/dbraw/zinc/88/53/95/1068885395.db2.gz APILJDAFCPHRHU-QFIPXVFZSA-N 2 1 479.673 3.628 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306412925 1068899087 /nfs/dbraw/zinc/89/90/87/1068899087.db2.gz XQBNFIUNIBPULO-WMTXJRDZSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306412925 1068899097 /nfs/dbraw/zinc/89/90/97/1068899097.db2.gz XQBNFIUNIBPULO-WMTXJRDZSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306412925 1068899102 /nfs/dbraw/zinc/89/91/02/1068899102.db2.gz XQBNFIUNIBPULO-WMTXJRDZSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001306434864 1068938756 /nfs/dbraw/zinc/93/87/56/1068938756.db2.gz AWHNKXXJBFLUQS-FJIJXJHWSA-N 2 1 489.108 3.800 20 0 JHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001306586540 1069253527 /nfs/dbraw/zinc/25/35/27/1069253527.db2.gz IDBHYYYPZPCUQS-VWNXMTODSA-N 2 1 452.599 3.539 20 0 JHADMP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1CCOC ZINC001306618305 1069301092 /nfs/dbraw/zinc/30/10/92/1069301092.db2.gz ONTVQYROOTXKHX-QHCPKHFHSA-N 2 1 456.679 3.623 20 0 JHADMP c1sc2nc(C[NH+]3CCCCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164426168 718916497 /nfs/dbraw/zinc/91/64/97/718916497.db2.gz XPMNOPSYXVIYSR-MHZLTWQESA-N 2 1 493.677 3.930 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)nc1 ZINC001164815232 720243516 /nfs/dbraw/zinc/24/35/16/720243516.db2.gz BVQUWZFZQRCTSI-QHCPKHFHSA-N 2 1 452.647 3.826 20 0 JHADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164815232 720243526 /nfs/dbraw/zinc/24/35/26/720243526.db2.gz BVQUWZFZQRCTSI-QHCPKHFHSA-N 2 1 452.647 3.826 20 0 JHADMP CCC[NH+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164815232 720243537 /nfs/dbraw/zinc/24/35/37/720243537.db2.gz BVQUWZFZQRCTSI-QHCPKHFHSA-N 2 1 452.647 3.826 20 0 JHADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735500 720524358 /nfs/dbraw/zinc/52/43/58/720524358.db2.gz YSUAKQGNOGXEBD-SFHVURJKSA-N 2 1 465.671 3.560 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741140 720832439 /nfs/dbraw/zinc/83/24/39/720832439.db2.gz DENUVJYBSXBKBW-NMVJMZGASA-N 2 1 486.599 3.590 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741140 720832440 /nfs/dbraw/zinc/83/24/40/720832440.db2.gz DENUVJYBSXBKBW-NMVJMZGASA-N 2 1 486.599 3.590 20 0 JHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750171 720908098 /nfs/dbraw/zinc/90/80/98/720908098.db2.gz JNWWOEZAHQEMIU-RPLLCQBOSA-N 2 1 462.642 3.617 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750171 720908105 /nfs/dbraw/zinc/90/81/05/720908105.db2.gz JNWWOEZAHQEMIU-RPLLCQBOSA-N 2 1 462.642 3.617 20 0 JHADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919879 /nfs/dbraw/zinc/91/98/79/720919879.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919894 /nfs/dbraw/zinc/91/98/94/720919894.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754606 720919906 /nfs/dbraw/zinc/91/99/06/720919906.db2.gz WEHLQFFUVHHLJD-LEAFIULHSA-N 2 1 461.654 3.826 20 0 JHADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767710 721201068 /nfs/dbraw/zinc/20/10/68/721201068.db2.gz KLAOHWGGUXNRLB-LEWJYISDSA-N 2 1 491.709 3.858 20 0 JHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767710 721201070 /nfs/dbraw/zinc/20/10/70/721201070.db2.gz KLAOHWGGUXNRLB-LEWJYISDSA-N 2 1 491.709 3.858 20 0 JHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908107 721529239 /nfs/dbraw/zinc/52/92/39/721529239.db2.gz ORWNGLDDXZHQKP-VWNXMTODSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164908107 721529242 /nfs/dbraw/zinc/52/92/42/721529242.db2.gz ORWNGLDDXZHQKP-VWNXMTODSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908107 721529245 /nfs/dbraw/zinc/52/92/45/721529245.db2.gz ORWNGLDDXZHQKP-VWNXMTODSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908107 721529247 /nfs/dbraw/zinc/52/92/47/721529247.db2.gz ORWNGLDDXZHQKP-VWNXMTODSA-N 2 1 459.569 3.516 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@@H]5C[NH+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109015 /nfs/dbraw/zinc/10/90/15/722109015.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109017 /nfs/dbraw/zinc/10/90/17/722109017.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109025 /nfs/dbraw/zinc/10/90/25/722109025.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@H]5C[NH+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109057 /nfs/dbraw/zinc/10/90/57/722109057.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109059 /nfs/dbraw/zinc/10/90/59/722109059.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109062 /nfs/dbraw/zinc/10/90/62/722109062.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 2 1 469.633 3.762 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973123 722158279 /nfs/dbraw/zinc/15/82/79/722158279.db2.gz LHIPJFNMJZWIRM-NZQKXSOJSA-N 2 1 489.998 3.779 20 0 JHADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001311432284 1069377433 /nfs/dbraw/zinc/37/74/33/1069377433.db2.gz IBEFOQDNVOIWPT-UHFFFAOYSA-N 2 1 455.691 3.634 20 0 JHADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001311432284 1069377444 /nfs/dbraw/zinc/37/74/44/1069377444.db2.gz IBEFOQDNVOIWPT-UHFFFAOYSA-N 2 1 455.691 3.634 20 0 JHADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001311432284 1069377464 /nfs/dbraw/zinc/37/74/64/1069377464.db2.gz IBEFOQDNVOIWPT-UHFFFAOYSA-N 2 1 455.691 3.634 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533705 1069426943 /nfs/dbraw/zinc/42/69/43/1069426943.db2.gz OFBANPNIYFQYLU-NHCUHLMSSA-N 2 1 458.569 3.744 20 0 JHADMP CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001306689701 1069427014 /nfs/dbraw/zinc/42/70/14/1069427014.db2.gz YPBQZCMMYVCSRQ-FQEVSTJZSA-N 2 1 460.617 3.944 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306726018 1069467729 /nfs/dbraw/zinc/46/77/29/1069467729.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306726018 1069467734 /nfs/dbraw/zinc/46/77/34/1069467734.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306726018 1069467736 /nfs/dbraw/zinc/46/77/36/1069467736.db2.gz JFAZMYGIAUQPJQ-CQOQZXRMSA-N 2 1 453.679 3.837 20 0 JHADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493325 /nfs/dbraw/zinc/49/33/25/1069493325.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493327 /nfs/dbraw/zinc/49/33/27/1069493327.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493330 /nfs/dbraw/zinc/49/33/30/1069493330.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493334 /nfs/dbraw/zinc/49/33/34/1069493334.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 2 1 450.627 3.713 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718799 1069517985 /nfs/dbraw/zinc/51/79/85/1069517985.db2.gz JKKQOWWIDZHXLW-DCXXXQMHSA-N 2 1 458.569 3.885 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718799 1069517998 /nfs/dbraw/zinc/51/79/98/1069517998.db2.gz JKKQOWWIDZHXLW-DCXXXQMHSA-N 2 1 458.569 3.885 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001306781172 1069578955 /nfs/dbraw/zinc/57/89/55/1069578955.db2.gz HNKXDPZQYKHSIH-FDFHNCONSA-N 2 1 491.725 3.511 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804652 1069614426 /nfs/dbraw/zinc/61/44/26/1069614426.db2.gz PMHKTEKYMZBXGL-AOHZBQACSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804652 1069614433 /nfs/dbraw/zinc/61/44/33/1069614433.db2.gz PMHKTEKYMZBXGL-AOHZBQACSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804652 1069614440 /nfs/dbraw/zinc/61/44/40/1069614440.db2.gz PMHKTEKYMZBXGL-AOHZBQACSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC001311966223 1069641248 /nfs/dbraw/zinc/64/12/48/1069641248.db2.gz YNHSJBZJRKHPHR-ZCYQVOJMSA-N 2 1 456.675 3.920 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178183 1069713795 /nfs/dbraw/zinc/71/37/95/1069713795.db2.gz DFTIWSAKYDIZAB-LEWJYISDSA-N 2 1 470.662 3.615 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001307031650 1069741360 /nfs/dbraw/zinc/74/13/60/1069741360.db2.gz MHSOKRKMOKKAEV-RBUKOAKNSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001307031650 1069741371 /nfs/dbraw/zinc/74/13/71/1069741371.db2.gz MHSOKRKMOKKAEV-RBUKOAKNSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001307031650 1069741379 /nfs/dbraw/zinc/74/13/79/1069741379.db2.gz MHSOKRKMOKKAEV-RBUKOAKNSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001307031649 1069741672 /nfs/dbraw/zinc/74/16/72/1069741672.db2.gz MHSOKRKMOKKAEV-OALUTQOASA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001307031649 1069741682 /nfs/dbraw/zinc/74/16/82/1069741682.db2.gz MHSOKRKMOKKAEV-OALUTQOASA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001307031649 1069741693 /nfs/dbraw/zinc/74/16/93/1069741693.db2.gz MHSOKRKMOKKAEV-OALUTQOASA-N 2 1 479.044 3.626 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CC3(SC)CC[NH+](C)CC3)CC2)cc1 ZINC001314189066 1069746553 /nfs/dbraw/zinc/74/65/53/1069746553.db2.gz OSTKEWVYTHEVEU-UHFFFAOYSA-N 2 1 486.730 3.950 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307039894 1069765234 /nfs/dbraw/zinc/76/52/34/1069765234.db2.gz GFNPIPXDJHVMEE-QFIPXVFZSA-N 2 1 453.679 3.554 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312219409 1069790430 /nfs/dbraw/zinc/79/04/30/1069790430.db2.gz VXDCADGSGGZSHE-JWQCQUIFSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312219409 1069790436 /nfs/dbraw/zinc/79/04/36/1069790436.db2.gz VXDCADGSGGZSHE-JWQCQUIFSA-N 2 1 456.606 3.579 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001307048030 1069792666 /nfs/dbraw/zinc/79/26/66/1069792666.db2.gz KHGXEYREQVMTBI-IBGZPJMESA-N 2 1 460.617 3.942 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232807 1069797318 /nfs/dbraw/zinc/79/73/18/1069797318.db2.gz ZTEBAWIPYQARLU-WMZOPIPTSA-N 2 1 457.432 3.577 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001307049647 1069798005 /nfs/dbraw/zinc/79/80/05/1069798005.db2.gz MJDDAKKNZZPRHW-UHFFFAOYSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001307052621 1069808411 /nfs/dbraw/zinc/80/84/11/1069808411.db2.gz ANJKQZCXTQAKLR-JOCHJYFZSA-N 2 1 454.663 3.818 20 0 JHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312264610 1069821590 /nfs/dbraw/zinc/82/15/90/1069821590.db2.gz GQUOTYBOPXQHLH-OAQYLSRUSA-N 2 1 451.453 3.929 20 0 JHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312264610 1069821612 /nfs/dbraw/zinc/82/16/12/1069821612.db2.gz GQUOTYBOPXQHLH-OAQYLSRUSA-N 2 1 451.453 3.929 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001312322090 1069862659 /nfs/dbraw/zinc/86/26/59/1069862659.db2.gz VXXMDAWFABHAEG-VQIMIIECSA-N 2 1 457.432 3.577 20 0 JHADMP CCOCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303532 1070089097 /nfs/dbraw/zinc/08/90/97/1070089097.db2.gz RYISJODFLKSGGE-VWNXMTODSA-N 2 1 454.663 3.790 20 0 JHADMP CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302433 1070087208 /nfs/dbraw/zinc/08/72/08/1070087208.db2.gz IUMMXRDUUPNDHA-JTHBVZDNSA-N 2 1 454.663 3.788 20 0 JHADMP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001314384926 1070230069 /nfs/dbraw/zinc/23/00/69/1070230069.db2.gz LKYZXYULVNFTNG-HSZRJFAPSA-N 2 1 454.663 3.646 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313446663 1070363416 /nfs/dbraw/zinc/36/34/16/1070363416.db2.gz DPYZUBMCCMGYTM-HKBOAZHASA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313446663 1070363435 /nfs/dbraw/zinc/36/34/35/1070363435.db2.gz DPYZUBMCCMGYTM-HKBOAZHASA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313446663 1070363453 /nfs/dbraw/zinc/36/34/53/1070363453.db2.gz DPYZUBMCCMGYTM-HKBOAZHASA-N 2 1 458.626 3.962 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001313450449 1070377824 /nfs/dbraw/zinc/37/78/24/1070377824.db2.gz KSBQPEJGBWNNKU-VWLOTQADSA-N 2 1 481.733 4.000 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495510 1070413583 /nfs/dbraw/zinc/41/35/83/1070413583.db2.gz IAYVIDKHLHXZJV-JOCHJYFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495510 1070413588 /nfs/dbraw/zinc/41/35/88/1070413588.db2.gz IAYVIDKHLHXZJV-JOCHJYFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501256 1070524730 /nfs/dbraw/zinc/52/47/30/1070524730.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501256 1070524743 /nfs/dbraw/zinc/52/47/43/1070524743.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501256 1070524758 /nfs/dbraw/zinc/52/47/58/1070524758.db2.gz CUTDJHUNNBIAPW-FCHUYYIVSA-N 2 1 482.673 3.923 20 0 JHADMP C[NH+](C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654687 1070769444 /nfs/dbraw/zinc/76/94/44/1070769444.db2.gz LCQVJFADDDWQMB-OAQYLSRUSA-N 2 1 458.626 3.647 20 0 JHADMP C[NH+](C)[C@@]1(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658065 1070778429 /nfs/dbraw/zinc/77/84/29/1070778429.db2.gz PYWIZJCNEBIMDW-HSZRJFAPSA-N 2 1 462.733 3.678 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313644751 1070798506 /nfs/dbraw/zinc/79/85/06/1070798506.db2.gz JCMDROXAIKBBOJ-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001313644751 1070798518 /nfs/dbraw/zinc/79/85/18/1070798518.db2.gz JCMDROXAIKBBOJ-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313667416 1070888806 /nfs/dbraw/zinc/88/88/06/1070888806.db2.gz XYBJBSHRBIQDGH-NJDAHSKKSA-N 2 1 460.692 3.847 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314712603 1070897614 /nfs/dbraw/zinc/89/76/14/1070897614.db2.gz RVBZRPITSZCFKE-UHFFFAOYSA-N 2 1 488.746 3.990 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001313694974 1070958614 /nfs/dbraw/zinc/95/86/14/1070958614.db2.gz YVZLKMHQNQOVCR-XMMPIXPASA-N 2 1 467.706 3.943 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313710664 1071005086 /nfs/dbraw/zinc/00/50/86/1071005086.db2.gz BQLUZBBNNUAESC-DHIUTWEWSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313719345 1071020066 /nfs/dbraw/zinc/02/00/66/1071020066.db2.gz OQCSATTUQJLXMF-NHCUHLMSSA-N 2 1 460.692 3.849 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313719343 1071020314 /nfs/dbraw/zinc/02/03/14/1071020314.db2.gz OQCSATTUQJLXMF-LEWJYISDSA-N 2 1 460.692 3.849 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313720910 1071022224 /nfs/dbraw/zinc/02/22/24/1071022224.db2.gz URNVYIRZCPGTLQ-GMKZXUHWSA-N 2 1 490.737 3.618 20 0 JHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001314812167 1071108032 /nfs/dbraw/zinc/10/80/32/1071108032.db2.gz SWMNVBIYTAOXQD-QHCPKHFHSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001314812167 1071108049 /nfs/dbraw/zinc/10/80/49/1071108049.db2.gz SWMNVBIYTAOXQD-QHCPKHFHSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314812167 1071108055 /nfs/dbraw/zinc/10/80/55/1071108055.db2.gz SWMNVBIYTAOXQD-QHCPKHFHSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314812167 1071108062 /nfs/dbraw/zinc/10/80/62/1071108062.db2.gz SWMNVBIYTAOXQD-QHCPKHFHSA-N 2 1 468.690 3.645 20 0 JHADMP C[N@@H+](CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001314844985 1071199720 /nfs/dbraw/zinc/19/97/20/1071199720.db2.gz IVARSJXYYWEZSW-UHFFFAOYSA-N 2 1 468.694 3.948 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871660 1071284318 /nfs/dbraw/zinc/28/43/18/1071284318.db2.gz LHCIIUXLAIQVMM-UHFFFAOYSA-N 2 1 490.096 3.663 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871660 1071284326 /nfs/dbraw/zinc/28/43/26/1071284326.db2.gz LHCIIUXLAIQVMM-UHFFFAOYSA-N 2 1 490.096 3.663 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314871660 1071284333 /nfs/dbraw/zinc/28/43/33/1071284333.db2.gz LHCIIUXLAIQVMM-UHFFFAOYSA-N 2 1 490.096 3.663 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314871660 1071284346 /nfs/dbraw/zinc/28/43/46/1071284346.db2.gz LHCIIUXLAIQVMM-UHFFFAOYSA-N 2 1 490.096 3.663 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313860414 1071368955 /nfs/dbraw/zinc/36/89/55/1071368955.db2.gz KLOQBJMFFYMBKL-NJYVYQBISA-N 2 1 464.662 3.984 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001313860419 1071369891 /nfs/dbraw/zinc/36/98/91/1071369891.db2.gz KLUFOHYZMCUVHS-ZNMIVQPWSA-N 2 1 455.470 3.638 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313864133 1071385634 /nfs/dbraw/zinc/38/56/34/1071385634.db2.gz XINAVSXMOHCNCX-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313864133 1071385646 /nfs/dbraw/zinc/38/56/46/1071385646.db2.gz XINAVSXMOHCNCX-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403345 /nfs/dbraw/zinc/40/33/45/1071403345.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403353 /nfs/dbraw/zinc/40/33/53/1071403353.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868182 1071403354 /nfs/dbraw/zinc/40/33/54/1071403354.db2.gz BEFUIMVTJQBMEX-XZOQPEGZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405417 /nfs/dbraw/zinc/40/54/17/1071405417.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 2 1 453.679 3.935 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405424 /nfs/dbraw/zinc/40/54/24/1071405424.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 2 1 453.679 3.935 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313868647 1071405432 /nfs/dbraw/zinc/40/54/32/1071405432.db2.gz VPXQMRSJRIMKNL-MQFRRQCYSA-N 2 1 453.679 3.935 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410392 /nfs/dbraw/zinc/41/03/92/1071410392.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410401 /nfs/dbraw/zinc/41/04/01/1071410401.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313869744 1071410405 /nfs/dbraw/zinc/41/04/05/1071410405.db2.gz QMHYSPYLSAGYKJ-QTEQDKRBSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313869256 1071408388 /nfs/dbraw/zinc/40/83/88/1071408388.db2.gz OZMIZEATOHFJLS-ZSXJVMONSA-N 2 1 460.711 3.849 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1C ZINC001313872196 1071419838 /nfs/dbraw/zinc/41/98/38/1071419838.db2.gz VIMFOUDEZFPDJW-DHIUTWEWSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313873226 1071424730 /nfs/dbraw/zinc/42/47/30/1071424730.db2.gz KIAQLTWJTKFHJP-LUKWVAJMSA-N 2 1 467.706 3.939 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313891327 1071484643 /nfs/dbraw/zinc/48/46/43/1071484643.db2.gz UZGJFZZSEZVWOZ-JOCHJYFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001313891327 1071484648 /nfs/dbraw/zinc/48/46/48/1071484648.db2.gz UZGJFZZSEZVWOZ-JOCHJYFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001313891327 1071484657 /nfs/dbraw/zinc/48/46/57/1071484657.db2.gz UZGJFZZSEZVWOZ-JOCHJYFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001313892405 1071487836 /nfs/dbraw/zinc/48/78/36/1071487836.db2.gz FFCPCEUXDMUJQJ-LJQANCHMSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313892405 1071487841 /nfs/dbraw/zinc/48/78/41/1071487841.db2.gz FFCPCEUXDMUJQJ-LJQANCHMSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313892405 1071487849 /nfs/dbraw/zinc/48/78/49/1071487849.db2.gz FFCPCEUXDMUJQJ-LJQANCHMSA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313897135 1071501399 /nfs/dbraw/zinc/50/13/99/1071501399.db2.gz UHGWXRUMYOFPJZ-MJGOQNOKSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313897135 1071501403 /nfs/dbraw/zinc/50/14/03/1071501403.db2.gz UHGWXRUMYOFPJZ-MJGOQNOKSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313897135 1071501409 /nfs/dbraw/zinc/50/14/09/1071501409.db2.gz UHGWXRUMYOFPJZ-MJGOQNOKSA-N 2 1 481.472 3.893 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313900965 1071510102 /nfs/dbraw/zinc/51/01/02/1071510102.db2.gz TTWZYTJTIYRBBT-HSZRJFAPSA-N 2 1 468.690 3.990 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313900965 1071510110 /nfs/dbraw/zinc/51/01/10/1071510110.db2.gz TTWZYTJTIYRBBT-HSZRJFAPSA-N 2 1 468.690 3.990 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580049 /nfs/dbraw/zinc/58/00/49/1071580049.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580055 /nfs/dbraw/zinc/58/00/55/1071580055.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927397 1071580061 /nfs/dbraw/zinc/58/00/61/1071580061.db2.gz KIZHCOOYKXXANZ-BJKOFHAPSA-N 2 1 481.733 3.702 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594102 /nfs/dbraw/zinc/59/41/02/1071594102.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594107 /nfs/dbraw/zinc/59/41/07/1071594107.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313932010 1071594112 /nfs/dbraw/zinc/59/41/12/1071594112.db2.gz GQVWCVFUQOHCOJ-BZSNNMDCSA-N 2 1 478.483 3.687 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001313932593 1071595687 /nfs/dbraw/zinc/59/56/87/1071595687.db2.gz IMTDDOGDFPRTLC-AVRDEDQJSA-N 2 1 454.644 3.849 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313933880 1071599850 /nfs/dbraw/zinc/59/98/50/1071599850.db2.gz OBQLTFMNJGDHJW-QGZVFWFLSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313933932 1071600383 /nfs/dbraw/zinc/60/03/83/1071600383.db2.gz PAGQKICCIBSDSR-MRJKTFCFSA-N 2 1 498.716 3.979 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313940574 1071615668 /nfs/dbraw/zinc/61/56/68/1071615668.db2.gz OAQRBDSMGVXNIJ-FQEVSTJZSA-N 2 1 459.708 3.820 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC001313940329 1071614979 /nfs/dbraw/zinc/61/49/79/1071614979.db2.gz VWAPOYUKCMTORL-KNQAVFIVSA-N 2 1 455.676 3.959 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944461 1071624855 /nfs/dbraw/zinc/62/48/55/1071624855.db2.gz CDELGQCEFBASKS-NFBKMPQASA-N 2 1 474.097 3.545 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641849 /nfs/dbraw/zinc/64/18/49/1071641849.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641851 /nfs/dbraw/zinc/64/18/51/1071641851.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951301 1071641855 /nfs/dbraw/zinc/64/18/55/1071641855.db2.gz FJCJXNKNSKDOMR-AZGAKELHSA-N 2 1 495.760 3.808 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314126433 1072034842 /nfs/dbraw/zinc/03/48/42/1072034842.db2.gz QVZFJYSEBWFXQU-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126433 1072034849 /nfs/dbraw/zinc/03/48/49/1072034849.db2.gz QVZFJYSEBWFXQU-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126433 1072034852 /nfs/dbraw/zinc/03/48/52/1072034852.db2.gz QVZFJYSEBWFXQU-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001305944891 1068258013 /nfs/dbraw/zinc/25/80/13/1068258013.db2.gz GRMLETIHQVFWPH-UHFFFAOYSA-N 2 1 481.733 3.846 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001305944891 1068258017 /nfs/dbraw/zinc/25/80/17/1068258017.db2.gz GRMLETIHQVFWPH-UHFFFAOYSA-N 2 1 481.733 3.846 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCCN2CC[NH+](CC)CC2)cc1 ZINC001305944891 1068258023 /nfs/dbraw/zinc/25/80/23/1068258023.db2.gz GRMLETIHQVFWPH-UHFFFAOYSA-N 2 1 481.733 3.846 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001306321932 1068752445 /nfs/dbraw/zinc/75/24/45/1068752445.db2.gz FSSOSFXHGSTIJX-JOCHJYFZSA-N 2 1 460.711 3.921 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306325249 1068761703 /nfs/dbraw/zinc/76/17/03/1068761703.db2.gz UFGGLTXPLVORMJ-QHCPKHFHSA-N 2 1 484.737 3.804 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001306325249 1068761715 /nfs/dbraw/zinc/76/17/15/1068761715.db2.gz UFGGLTXPLVORMJ-QHCPKHFHSA-N 2 1 484.737 3.804 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306388424 1068823412 /nfs/dbraw/zinc/82/34/12/1068823412.db2.gz WGOSBDKJPLFQHT-DENIHFKCSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1CCOC ZINC001306388424 1068823426 /nfs/dbraw/zinc/82/34/26/1068823426.db2.gz WGOSBDKJPLFQHT-DENIHFKCSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H](Cn1c(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390416 1068828917 /nfs/dbraw/zinc/82/89/17/1068828917.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H](Cn1c(N2CC[NH+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390416 1068828929 /nfs/dbraw/zinc/82/89/29/1068828929.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H](Cn1c(N2CC[NH+](CCOC)[C@@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390416 1068828944 /nfs/dbraw/zinc/82/89/44/1068828944.db2.gz RVYKLPJXJGJPFV-DQEYMECFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306432635 1068934244 /nfs/dbraw/zinc/93/42/44/1068934244.db2.gz GAKAZPVGLGGNNK-FSSWDIPSSA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306432635 1068934252 /nfs/dbraw/zinc/93/42/52/1068934252.db2.gz GAKAZPVGLGGNNK-FSSWDIPSSA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306450384 1068968701 /nfs/dbraw/zinc/96/87/01/1068968701.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450384 1068968709 /nfs/dbraw/zinc/96/87/09/1068968709.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450384 1068968720 /nfs/dbraw/zinc/96/87/20/1068968720.db2.gz MGFPQCNGYHJAJT-DQEYMECFSA-N 2 1 482.717 3.731 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1CCOC ZINC001306619701 1069304216 /nfs/dbraw/zinc/30/42/16/1069304216.db2.gz ZOWQMPRMYTWEHV-VWLOTQADSA-N 2 1 454.663 3.558 20 0 JHADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643612 719229202 /nfs/dbraw/zinc/22/92/02/719229202.db2.gz ZPIZVBDQRPLMTG-QZTJIDSGSA-N 2 1 455.002 3.926 20 0 JHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643612 719229206 /nfs/dbraw/zinc/22/92/06/719229206.db2.gz ZPIZVBDQRPLMTG-QZTJIDSGSA-N 2 1 455.002 3.926 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164681920 719679333 /nfs/dbraw/zinc/67/93/33/719679333.db2.gz OKSBTXHYBISODX-HSZRJFAPSA-N 2 1 475.681 3.769 20 0 JHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)C1 ZINC001164732876 720524464 /nfs/dbraw/zinc/52/44/64/720524464.db2.gz GNUJIUFKUIILQD-RBUKOAKNSA-N 2 1 479.698 3.806 20 0 JHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164732874 720524533 /nfs/dbraw/zinc/52/45/33/720524533.db2.gz GNUJIUFKUIILQD-OALUTQOASA-N 2 1 479.698 3.806 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164862169 720875806 /nfs/dbraw/zinc/87/58/06/720875806.db2.gz RATHQOHYXSLMAW-IFMALSPDSA-N 2 1 499.725 3.730 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164862169 720875808 /nfs/dbraw/zinc/87/58/08/720875808.db2.gz RATHQOHYXSLMAW-IFMALSPDSA-N 2 1 499.725 3.730 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872246 721144635 /nfs/dbraw/zinc/14/46/35/721144635.db2.gz HDNXAGHHCIAKCN-FGZHOGPDSA-N 2 1 478.666 3.779 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872246 721144648 /nfs/dbraw/zinc/14/46/48/721144648.db2.gz HDNXAGHHCIAKCN-FGZHOGPDSA-N 2 1 478.666 3.779 20 0 JHADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767716 721202000 /nfs/dbraw/zinc/20/20/00/721202000.db2.gz KLAOHWGGUXNRLB-NHCUHLMSSA-N 2 1 491.709 3.858 20 0 JHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767716 721202017 /nfs/dbraw/zinc/20/20/17/721202017.db2.gz KLAOHWGGUXNRLB-NHCUHLMSSA-N 2 1 491.709 3.858 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)n1 ZINC001165015974 721766527 /nfs/dbraw/zinc/76/65/27/721766527.db2.gz UOGGDFBBUNHNPA-UHFFFAOYSA-N 2 1 491.669 3.968 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306635624 1069343251 /nfs/dbraw/zinc/34/32/51/1069343251.db2.gz RJHZLVMUCGNBSG-XPWALMASSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306635624 1069343265 /nfs/dbraw/zinc/34/32/65/1069343265.db2.gz RJHZLVMUCGNBSG-XPWALMASSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306635624 1069343276 /nfs/dbraw/zinc/34/32/76/1069343276.db2.gz RJHZLVMUCGNBSG-XPWALMASSA-N 2 1 476.710 3.577 20 0 JHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311370780 1069348551 /nfs/dbraw/zinc/34/85/51/1069348551.db2.gz VHDCBGVXGTZUTJ-CLJLJLNGSA-N 2 1 455.691 3.630 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)CC2)c1 ZINC001311379981 1069354182 /nfs/dbraw/zinc/35/41/82/1069354182.db2.gz HDJBXQFRPDKJTA-AREMUKBSSA-N 2 1 455.691 3.851 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306648481 1069360297 /nfs/dbraw/zinc/36/02/97/1069360297.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306648481 1069360315 /nfs/dbraw/zinc/36/03/15/1069360315.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306648481 1069360328 /nfs/dbraw/zinc/36/03/28/1069360328.db2.gz RHJXYLLWMUEIRN-ISKFKSNPSA-N 2 1 468.690 3.923 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001306677870 1069401860 /nfs/dbraw/zinc/40/18/60/1069401860.db2.gz CXMCPIGQVYKKBZ-UHFFFAOYSA-N 2 1 468.694 3.948 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306721573 1069458541 /nfs/dbraw/zinc/45/85/41/1069458541.db2.gz BTVPBJIMXPBKCZ-UEQSERJNSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306721573 1069458544 /nfs/dbraw/zinc/45/85/44/1069458544.db2.gz BTVPBJIMXPBKCZ-UEQSERJNSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001306721572 1069458554 /nfs/dbraw/zinc/45/85/54/1069458554.db2.gz BTVPBJIMXPBKCZ-QPXUXIHVSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001306721572 1069458556 /nfs/dbraw/zinc/45/85/56/1069458556.db2.gz BTVPBJIMXPBKCZ-QPXUXIHVSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306722424 1069460435 /nfs/dbraw/zinc/46/04/35/1069460435.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722424 1069460442 /nfs/dbraw/zinc/46/04/42/1069460442.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722424 1069460447 /nfs/dbraw/zinc/46/04/47/1069460447.db2.gz LBGBZFBDJMYINL-SMIHKQSGSA-N 2 1 459.727 3.662 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718801 1069517926 /nfs/dbraw/zinc/51/79/26/1069517926.db2.gz JKKQOWWIDZHXLW-UGNRZPKXSA-N 2 1 458.569 3.885 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718801 1069517931 /nfs/dbraw/zinc/51/79/31/1069517931.db2.gz JKKQOWWIDZHXLW-UGNRZPKXSA-N 2 1 458.569 3.885 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001306783531 1069582995 /nfs/dbraw/zinc/58/29/95/1069582995.db2.gz JNHZRPYYVGJQRX-SFTDATJTSA-N 2 1 475.081 3.735 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306798137 1069603470 /nfs/dbraw/zinc/60/34/70/1069603470.db2.gz NXKUYXJCIHAFKW-NHCUHLMSSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306798137 1069603485 /nfs/dbraw/zinc/60/34/85/1069603485.db2.gz NXKUYXJCIHAFKW-NHCUHLMSSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306798137 1069603490 /nfs/dbraw/zinc/60/34/90/1069603490.db2.gz NXKUYXJCIHAFKW-NHCUHLMSSA-N 2 1 458.626 3.964 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026763 1069681158 /nfs/dbraw/zinc/68/11/58/1069681158.db2.gz WDGGOQCQEMAGBD-ZNZIZOMTSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026763 1069681165 /nfs/dbraw/zinc/68/11/65/1069681165.db2.gz WDGGOQCQEMAGBD-ZNZIZOMTSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312026763 1069681169 /nfs/dbraw/zinc/68/11/69/1069681169.db2.gz WDGGOQCQEMAGBD-ZNZIZOMTSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312026763 1069681177 /nfs/dbraw/zinc/68/11/77/1069681177.db2.gz WDGGOQCQEMAGBD-ZNZIZOMTSA-N 2 1 450.627 3.630 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCC[N@H+]2CC)cc1OC ZINC001314177443 1069711019 /nfs/dbraw/zinc/71/10/19/1069711019.db2.gz RVAIYBZWAGKLDN-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)nc(C)[nH+]1 ZINC001312123196 1069733052 /nfs/dbraw/zinc/73/30/52/1069733052.db2.gz PMLVLBWXRIULGY-HSZRJFAPSA-N 2 1 450.631 3.662 20 0 JHADMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CC2)nc(C)[nH+]1 ZINC001312123196 1069733064 /nfs/dbraw/zinc/73/30/64/1069733064.db2.gz PMLVLBWXRIULGY-HSZRJFAPSA-N 2 1 450.631 3.662 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001314197168 1069778407 /nfs/dbraw/zinc/77/84/07/1069778407.db2.gz JZJGIJSXBURXBW-YPAWHYETSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001314197168 1069778414 /nfs/dbraw/zinc/77/84/14/1069778414.db2.gz JZJGIJSXBURXBW-YPAWHYETSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001314197168 1069778420 /nfs/dbraw/zinc/77/84/20/1069778420.db2.gz JZJGIJSXBURXBW-YPAWHYETSA-N 2 1 470.662 3.832 20 0 JHADMP CCC[NH+]1CCC(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001307045910 1069783086 /nfs/dbraw/zinc/78/30/86/1069783086.db2.gz HMIZHXFIMJYGBN-HHHXNRCGSA-N 2 1 490.737 3.751 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001307048360 1069793867 /nfs/dbraw/zinc/79/38/67/1069793867.db2.gz RQVDRTWCUWPDTB-FCHUYYIVSA-N 2 1 453.679 3.695 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001307048872 1069795257 /nfs/dbraw/zinc/79/52/57/1069795257.db2.gz ALISJZFXYBIQDU-HSZRJFAPSA-N 2 1 481.733 3.838 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001307050750 1069801635 /nfs/dbraw/zinc/80/16/35/1069801635.db2.gz ZGIHTMRQOKAOTB-UHFFFAOYSA-N 2 1 467.706 3.592 20 0 JHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594553 1070070756 /nfs/dbraw/zinc/07/07/56/1070070756.db2.gz WHOUNLXRHUBRDW-BQQUOAEZSA-N 2 1 453.602 3.883 20 0 JHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075639 /nfs/dbraw/zinc/07/56/39/1070075639.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075656 /nfs/dbraw/zinc/07/56/56/1070075656.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075671 /nfs/dbraw/zinc/07/56/71/1070075671.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@H+](C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075688 /nfs/dbraw/zinc/07/56/88/1070075688.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674998 1070075705 /nfs/dbraw/zinc/07/57/05/1070075705.db2.gz NJCYVSUYJWUUEX-GOTSBHOMSA-N 2 1 450.071 3.533 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671517 1070115254 /nfs/dbraw/zinc/11/52/54/1070115254.db2.gz XJTZWTSZMMMZHP-YRNRMSPPSA-N 2 1 452.521 3.535 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671517 1070115263 /nfs/dbraw/zinc/11/52/63/1070115263.db2.gz XJTZWTSZMMMZHP-YRNRMSPPSA-N 2 1 452.521 3.535 20 0 JHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707959 1070137860 /nfs/dbraw/zinc/13/78/60/1070137860.db2.gz RHYCBKURIALTLY-BVYCBKJFSA-N 2 1 455.565 3.923 20 0 JHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707959 1070137872 /nfs/dbraw/zinc/13/78/72/1070137872.db2.gz RHYCBKURIALTLY-BVYCBKJFSA-N 2 1 455.565 3.923 20 0 JHADMP C[C@@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837976 1070148110 /nfs/dbraw/zinc/14/81/10/1070148110.db2.gz CBLBIYJJHACSJQ-GQDRMJRRSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837976 1070148116 /nfs/dbraw/zinc/14/81/16/1070148116.db2.gz CBLBIYJJHACSJQ-GQDRMJRRSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@@H](CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837976 1070148123 /nfs/dbraw/zinc/14/81/23/1070148123.db2.gz CBLBIYJJHACSJQ-GQDRMJRRSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@@H](CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837976 1070148127 /nfs/dbraw/zinc/14/81/27/1070148127.db2.gz CBLBIYJJHACSJQ-GQDRMJRRSA-N 2 1 468.617 3.591 20 0 JHADMP COc1ccc(C(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccc(OC)cc2)cc1 ZINC001307725149 1070149435 /nfs/dbraw/zinc/14/94/35/1070149435.db2.gz MLJFKRLTSMIPIC-UHFFFAOYSA-N 2 1 451.611 3.717 20 0 JHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896331 1070230094 /nfs/dbraw/zinc/23/00/94/1070230094.db2.gz LHSGGZNKKAFBFV-AREMUKBSSA-N 2 1 456.030 3.713 20 0 JHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)CC1 ZINC001307896331 1070230109 /nfs/dbraw/zinc/23/01/09/1070230109.db2.gz LHSGGZNKKAFBFV-AREMUKBSSA-N 2 1 456.030 3.713 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001313074647 1070241594 /nfs/dbraw/zinc/24/15/94/1070241594.db2.gz NWLPXTMEHABZEN-FERLCFGISA-N 2 1 451.453 3.910 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001313175159 1070281178 /nfs/dbraw/zinc/28/11/78/1070281178.db2.gz FYPXMUQBWHZGHD-AREMUKBSSA-N 2 1 450.627 3.502 20 0 JHADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001313175159 1070281190 /nfs/dbraw/zinc/28/11/90/1070281190.db2.gz FYPXMUQBWHZGHD-AREMUKBSSA-N 2 1 450.627 3.502 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001313447119 1070365265 /nfs/dbraw/zinc/36/52/65/1070365265.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001313447119 1070365282 /nfs/dbraw/zinc/36/52/82/1070365282.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313447119 1070365289 /nfs/dbraw/zinc/36/52/89/1070365289.db2.gz IVMWYVXXIZHHAN-VWPQPMDRSA-N 2 1 470.662 3.756 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)C[C@@H]1CC ZINC001314495587 1070414528 /nfs/dbraw/zinc/41/45/28/1070414528.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1CC ZINC001314495587 1070414530 /nfs/dbraw/zinc/41/45/30/1070414530.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1CC ZINC001314495587 1070414535 /nfs/dbraw/zinc/41/45/35/1070414535.db2.gz IRTPHVYCXCAXBD-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1CC ZINC001314496103 1070416333 /nfs/dbraw/zinc/41/63/33/1070416333.db2.gz NFRFFRZJYWHDTM-ATIYNZHBSA-N 2 1 486.730 3.628 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1CC ZINC001314499693 1070427976 /nfs/dbraw/zinc/42/79/76/1070427976.db2.gz DKHJBWJGOVSGHQ-VWLOTQADSA-N 2 1 496.744 3.903 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314500656 1070431523 /nfs/dbraw/zinc/43/15/23/1070431523.db2.gz XDWRJFSGYPWUSW-HSZRJFAPSA-N 2 1 489.108 3.801 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314500656 1070431530 /nfs/dbraw/zinc/43/15/30/1070431530.db2.gz XDWRJFSGYPWUSW-HSZRJFAPSA-N 2 1 489.108 3.801 20 0 JHADMP C[NH+](C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649840 1070757607 /nfs/dbraw/zinc/75/76/07/1070757607.db2.gz DYHWZEQLFSMNRF-DHIUTWEWSA-N 2 1 460.711 3.993 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654685 1070769798 /nfs/dbraw/zinc/76/97/98/1070769798.db2.gz LCQVJFADDDWQMB-NRFANRHFSA-N 2 1 458.626 3.647 20 0 JHADMP C[NH+](C)[C@]1(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658066 1070778402 /nfs/dbraw/zinc/77/84/02/1070778402.db2.gz PYWIZJCNEBIMDW-QHCPKHFHSA-N 2 1 462.733 3.678 20 0 JHADMP C[NH+](C)[C@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658277 1070778924 /nfs/dbraw/zinc/77/89/24/1070778924.db2.gz WXUXQUKXYJXEEC-VWLOTQADSA-N 2 1 490.693 3.744 20 0 JHADMP Cn1cc(C[N@H+]2CCCN(c3nnc(Cc4ccc(Cl)cc4)n3CC(C)(C)C[NH+](C)C)CC2)cn1 ZINC001314665195 1070796728 /nfs/dbraw/zinc/79/67/28/1070796728.db2.gz DRMNJXOISJXMIG-UHFFFAOYSA-N 2 1 499.107 3.556 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001313648572 1070817305 /nfs/dbraw/zinc/81/73/05/1070817305.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+](C)C2CCCCC2)CC1 ZINC001313648572 1070817333 /nfs/dbraw/zinc/81/73/33/1070817333.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001313648572 1070817353 /nfs/dbraw/zinc/81/73/53/1070817353.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001313648572 1070817377 /nfs/dbraw/zinc/81/73/77/1070817377.db2.gz ZVIKQLGQIZICGY-UHFFFAOYSA-N 2 1 495.716 3.590 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313656232 1070848500 /nfs/dbraw/zinc/84/85/00/1070848500.db2.gz HLKFGKIRNZWJBH-ICSRJNTNSA-N 2 1 462.589 3.951 20 0 JHADMP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001309571881 1070864715 /nfs/dbraw/zinc/86/47/15/1070864715.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 2 1 455.668 3.614 20 0 JHADMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC001309571881 1070864737 /nfs/dbraw/zinc/86/47/37/1070864737.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 2 1 455.668 3.614 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC001309571881 1070864759 /nfs/dbraw/zinc/86/47/59/1070864759.db2.gz TUNGSEVQNQXVHX-AYRHNUGRSA-N 2 1 455.668 3.614 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313663394 1070871965 /nfs/dbraw/zinc/87/19/65/1070871965.db2.gz HWDOXIAQSJBVEX-DHLKQENFSA-N 2 1 484.689 3.889 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313663397 1070872108 /nfs/dbraw/zinc/87/21/08/1070872108.db2.gz HWDOXIAQSJBVEX-WIOPSUGQSA-N 2 1 484.689 3.889 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC001313663481 1070872432 /nfs/dbraw/zinc/87/24/32/1070872432.db2.gz DEIJYXZFCHKYHA-SANMLTNESA-N 2 1 467.706 3.664 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314713080 1070899984 /nfs/dbraw/zinc/89/99/84/1070899984.db2.gz CWVMEUVRUWYLAZ-QHCPKHFHSA-N 2 1 460.711 3.851 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC001313677619 1070925925 /nfs/dbraw/zinc/92/59/25/1070925925.db2.gz KXALWUUIMAPLSA-ZKMPZPQNSA-N 2 1 468.690 3.717 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001313700406 1070977484 /nfs/dbraw/zinc/97/74/84/1070977484.db2.gz TVDFZUKTIJIVPG-UHFFFAOYSA-N 2 1 495.716 3.715 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313727607 1071037208 /nfs/dbraw/zinc/03/72/08/1071037208.db2.gz VQZSTAKMTFKOSP-CAOCKLPOSA-N 2 1 484.737 3.961 20 0 JHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)CCC(F)(F)F ZINC001313814965 1071259955 /nfs/dbraw/zinc/25/99/55/1071259955.db2.gz RTAFXQWYLBJHBT-IBGZPJMESA-N 2 1 486.627 3.900 20 0 JHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)CCC(F)(F)F ZINC001313814965 1071259961 /nfs/dbraw/zinc/25/99/61/1071259961.db2.gz RTAFXQWYLBJHBT-IBGZPJMESA-N 2 1 486.627 3.900 20 0 JHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CCC(F)(F)F ZINC001313814965 1071259969 /nfs/dbraw/zinc/25/99/69/1071259969.db2.gz RTAFXQWYLBJHBT-IBGZPJMESA-N 2 1 486.627 3.900 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313819579 1071274616 /nfs/dbraw/zinc/27/46/16/1071274616.db2.gz CENVRYOGGRLROX-UHFFFAOYSA-N 2 1 458.626 3.791 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001313819579 1071274630 /nfs/dbraw/zinc/27/46/30/1071274630.db2.gz CENVRYOGGRLROX-UHFFFAOYSA-N 2 1 458.626 3.791 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001313819579 1071274644 /nfs/dbraw/zinc/27/46/44/1071274644.db2.gz CENVRYOGGRLROX-UHFFFAOYSA-N 2 1 458.626 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859288 1071363488 /nfs/dbraw/zinc/36/34/88/1071363488.db2.gz FNKZYMIJWSNHHL-LNLFQRSKSA-N 2 1 480.499 3.931 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860827 1071371843 /nfs/dbraw/zinc/37/18/43/1071371843.db2.gz OPVFDGKMTLNWGE-YZIHRLCOSA-N 2 1 499.729 3.503 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001313860417 1071370067 /nfs/dbraw/zinc/37/00/67/1071370067.db2.gz KLUFOHYZMCUVHS-KFWWJZLASA-N 2 1 455.470 3.638 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860418 1071370222 /nfs/dbraw/zinc/37/02/22/1071370222.db2.gz KLUFOHYZMCUVHS-KKUMJFAQSA-N 2 1 455.470 3.638 20 0 JHADMP C[N@H+]1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001314930419 1071373768 /nfs/dbraw/zinc/37/37/68/1071373768.db2.gz DXCNOLJPNINVPZ-UHFFFAOYSA-N 2 1 474.097 3.545 20 0 JHADMP CN1CC[N@H+](CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001314930419 1071373781 /nfs/dbraw/zinc/37/37/81/1071373781.db2.gz DXCNOLJPNINVPZ-UHFFFAOYSA-N 2 1 474.097 3.545 20 0 JHADMP CN1CC[N@@H+](CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1(C)C ZINC001314930419 1071373795 /nfs/dbraw/zinc/37/37/95/1071373795.db2.gz DXCNOLJPNINVPZ-UHFFFAOYSA-N 2 1 474.097 3.545 20 0 JHADMP C[N@H+]1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC001314931125 1071374833 /nfs/dbraw/zinc/37/48/33/1071374833.db2.gz NNIXUMFQCMNKLD-UHFFFAOYSA-N 2 1 473.754 3.595 20 0 JHADMP CN1CC[N@H+](CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC001314931125 1071374840 /nfs/dbraw/zinc/37/48/40/1071374840.db2.gz NNIXUMFQCMNKLD-UHFFFAOYSA-N 2 1 473.754 3.595 20 0 JHADMP CN1CC[N@@H+](CCn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1(C)C ZINC001314931125 1071374848 /nfs/dbraw/zinc/37/48/48/1071374848.db2.gz NNIXUMFQCMNKLD-UHFFFAOYSA-N 2 1 473.754 3.595 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865911 1071394647 /nfs/dbraw/zinc/39/46/47/1071394647.db2.gz IWICSRXZRUETOO-NHCUHLMSSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410144 /nfs/dbraw/zinc/41/01/44/1071410144.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410148 /nfs/dbraw/zinc/41/01/48/1071410148.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869748 1071410157 /nfs/dbraw/zinc/41/01/57/1071410157.db2.gz QMHYSPYLSAGYKJ-SXWKCWPCSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313869694 1071409178 /nfs/dbraw/zinc/40/91/78/1071409178.db2.gz QLJKXOZLGWTBMK-CNNODRBYSA-N 2 1 482.629 3.777 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313871562 1071417441 /nfs/dbraw/zinc/41/74/41/1071417441.db2.gz UKPLFYBWCMWGRR-QZTJIDSGSA-N 2 1 479.044 3.767 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313871799 1071418237 /nfs/dbraw/zinc/41/82/37/1071418237.db2.gz HNXWSSFPTGETSG-QNWVGRARSA-N 2 1 456.679 3.773 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872806 1071422080 /nfs/dbraw/zinc/42/20/80/1071422080.db2.gz XIZKWPBUFKVKRR-VXKWHMMOSA-N 2 1 460.711 3.819 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425629 /nfs/dbraw/zinc/42/56/29/1071425629.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425633 /nfs/dbraw/zinc/42/56/33/1071425633.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313873618 1071425640 /nfs/dbraw/zinc/42/56/40/1071425640.db2.gz MOFQCGGIJNJFSI-ACRUOGEOSA-N 2 1 458.626 3.504 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313889331 1071479801 /nfs/dbraw/zinc/47/98/01/1071479801.db2.gz XPCGFFYSWXVYIN-RTBURBONSA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313889331 1071479806 /nfs/dbraw/zinc/47/98/06/1071479806.db2.gz XPCGFFYSWXVYIN-RTBURBONSA-N 2 1 469.659 3.703 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001313890663 1071483286 /nfs/dbraw/zinc/48/32/86/1071483286.db2.gz OIGVCLXBZMYARI-FQEVSTJZSA-N 2 1 470.662 3.615 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001313892488 1071487637 /nfs/dbraw/zinc/48/76/37/1071487637.db2.gz YPXRCHJZKJUDFY-GOSISDBHSA-N 2 1 493.469 3.967 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001313892490 1071487807 /nfs/dbraw/zinc/48/78/07/1071487807.db2.gz YPXRCHJZKJUDFY-SFHVURJKSA-N 2 1 493.469 3.967 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313901844 1071512567 /nfs/dbraw/zinc/51/25/67/1071512567.db2.gz IBFVVWZOSPGIPB-LJQANCHMSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313901844 1071512577 /nfs/dbraw/zinc/51/25/77/1071512577.db2.gz IBFVVWZOSPGIPB-LJQANCHMSA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313901844 1071512585 /nfs/dbraw/zinc/51/25/85/1071512585.db2.gz IBFVVWZOSPGIPB-LJQANCHMSA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313901844 1071512592 /nfs/dbraw/zinc/51/25/92/1071512592.db2.gz IBFVVWZOSPGIPB-LJQANCHMSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911592 1071537628 /nfs/dbraw/zinc/53/76/28/1071537628.db2.gz DPDNZSQLGNKQOH-OAQYLSRUSA-N 2 1 470.662 3.661 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313923922 1071568853 /nfs/dbraw/zinc/56/88/53/1071568853.db2.gz BBDAURNDGLCHLR-IBGZPJMESA-N 2 1 492.087 3.684 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574683 /nfs/dbraw/zinc/57/46/83/1071574683.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 2 1 495.760 3.790 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574691 /nfs/dbraw/zinc/57/46/91/1071574691.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 2 1 495.760 3.790 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926023 1071574697 /nfs/dbraw/zinc/57/46/97/1071574697.db2.gz DKXIFBGMGSWNRZ-RUZDIDTESA-N 2 1 495.760 3.790 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313928481 1071583709 /nfs/dbraw/zinc/58/37/09/1071583709.db2.gz PJIFABVDAFBNOY-HSZRJFAPSA-N 2 1 499.723 3.592 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591028 /nfs/dbraw/zinc/59/10/28/1071591028.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591033 /nfs/dbraw/zinc/59/10/33/1071591033.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001313931187 1071591037 /nfs/dbraw/zinc/59/10/37/1071591037.db2.gz BKABDMYQDCDTIW-PKTZIBPZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607325 /nfs/dbraw/zinc/60/73/25/1071607325.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607330 /nfs/dbraw/zinc/60/73/30/1071607330.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313935853 1071607335 /nfs/dbraw/zinc/60/73/35/1071607335.db2.gz JRNTXHJIGKGKTH-YADHBBJMSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001313937927 1071611579 /nfs/dbraw/zinc/61/15/79/1071611579.db2.gz XNTDHLWMOWUGTG-LJQANCHMSA-N 2 1 484.048 3.513 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615487 /nfs/dbraw/zinc/61/54/87/1071615487.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615492 /nfs/dbraw/zinc/61/54/92/1071615492.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313940854 1071615496 /nfs/dbraw/zinc/61/54/96/1071615496.db2.gz PNKOBHAVHHKWJG-CTNGQTDRSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC001313940331 1071614733 /nfs/dbraw/zinc/61/47/33/1071614733.db2.gz VWAPOYUKCMTORL-UGKGYDQZSA-N 2 1 455.676 3.959 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942564 1071620763 /nfs/dbraw/zinc/62/07/63/1071620763.db2.gz KAAGIYXPJBITBY-PKTZIBPZSA-N 2 1 454.663 3.552 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629231 /nfs/dbraw/zinc/62/92/31/1071629231.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629235 /nfs/dbraw/zinc/62/92/35/1071629235.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313946697 1071629238 /nfs/dbraw/zinc/62/92/38/1071629238.db2.gz TZOZGOIPQPOCOB-XPWALMASSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313947172 1071631197 /nfs/dbraw/zinc/63/11/97/1071631197.db2.gz FZQUPBOZMVEJAA-PWRODBHTSA-N 2 1 478.751 3.555 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947517 1071632344 /nfs/dbraw/zinc/63/23/44/1071632344.db2.gz BASLWVBYXWNUDQ-SANMLTNESA-N 2 1 481.733 3.512 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313949032 1071634583 /nfs/dbraw/zinc/63/45/83/1071634583.db2.gz GSBJLZBKZNXCPU-JOCHJYFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313949032 1071634585 /nfs/dbraw/zinc/63/45/85/1071634585.db2.gz GSBJLZBKZNXCPU-JOCHJYFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313949032 1071634589 /nfs/dbraw/zinc/63/45/89/1071634589.db2.gz GSBJLZBKZNXCPU-JOCHJYFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636348 /nfs/dbraw/zinc/63/63/48/1071636348.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636351 /nfs/dbraw/zinc/63/63/51/1071636351.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313949378 1071636355 /nfs/dbraw/zinc/63/63/55/1071636355.db2.gz PLAWZCTUUUNNFZ-MDNUFGMLSA-N 2 1 460.711 3.992 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636430 /nfs/dbraw/zinc/63/64/30/1071636430.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636434 /nfs/dbraw/zinc/63/64/34/1071636434.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313949379 1071636438 /nfs/dbraw/zinc/63/64/38/1071636438.db2.gz PLAWZCTUUUNNFZ-YMPZKCBVSA-N 2 1 460.711 3.992 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314125186 1072032014 /nfs/dbraw/zinc/03/20/14/1072032014.db2.gz OPNOVSBBDLNBJW-MHZLTWQESA-N 2 1 490.737 3.753 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125665 1072033612 /nfs/dbraw/zinc/03/36/12/1072033612.db2.gz OZXQOHMWBUUUGL-ONBPZOJHSA-N 2 1 490.737 3.609 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125665 1072033618 /nfs/dbraw/zinc/03/36/18/1072033618.db2.gz OZXQOHMWBUUUGL-ONBPZOJHSA-N 2 1 490.737 3.609 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314125665 1072033630 /nfs/dbraw/zinc/03/36/30/1072033630.db2.gz OZXQOHMWBUUUGL-ONBPZOJHSA-N 2 1 490.737 3.609 20 0 JHADMP CCc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305925807 1068221520 /nfs/dbraw/zinc/22/15/20/1068221520.db2.gz MOUXYCHRRMRDEE-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP CCc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305925807 1068221533 /nfs/dbraw/zinc/22/15/33/1068221533.db2.gz MOUXYCHRRMRDEE-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986501 1068338174 /nfs/dbraw/zinc/33/81/74/1068338174.db2.gz XLUSGKUODPSSQZ-LEWJYISDSA-N 2 1 454.663 3.823 20 0 JHADMP CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001306208353 1068599764 /nfs/dbraw/zinc/59/97/64/1068599764.db2.gz YJKZKIZPLASUGK-UHFFFAOYSA-N 2 1 456.635 3.538 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001306317645 1068738851 /nfs/dbraw/zinc/73/88/51/1068738851.db2.gz AUZCARMZKUBYEF-QFIPXVFZSA-N 2 1 472.678 3.906 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001306317645 1068738857 /nfs/dbraw/zinc/73/88/57/1068738857.db2.gz AUZCARMZKUBYEF-QFIPXVFZSA-N 2 1 472.678 3.906 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC[C@H]2CC)CC[NH+]1CCOC ZINC001306317682 1068739110 /nfs/dbraw/zinc/73/91/10/1068739110.db2.gz BNYARSILBKAYMR-FGZHOGPDSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001306317682 1068739122 /nfs/dbraw/zinc/73/91/22/1068739122.db2.gz BNYARSILBKAYMR-FGZHOGPDSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001306317682 1068739132 /nfs/dbraw/zinc/73/91/32/1068739132.db2.gz BNYARSILBKAYMR-FGZHOGPDSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@@H+]1CCOC ZINC001306389503 1068826734 /nfs/dbraw/zinc/82/67/34/1068826734.db2.gz NDUFLTLPHGPWDK-OAQYLSRUSA-N 2 1 483.636 3.804 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@H+]1CCOC ZINC001306389503 1068826748 /nfs/dbraw/zinc/82/67/48/1068826748.db2.gz NDUFLTLPHGPWDK-OAQYLSRUSA-N 2 1 483.636 3.804 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC001306390395 1068828040 /nfs/dbraw/zinc/82/80/40/1068828040.db2.gz RPJWMIINQVTUDR-YTFSRNRJSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC001306390395 1068828052 /nfs/dbraw/zinc/82/80/52/1068828052.db2.gz RPJWMIINQVTUDR-YTFSRNRJSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@H+]1CCOC ZINC001306406528 1068877259 /nfs/dbraw/zinc/87/72/59/1068877259.db2.gz YZEURNCDEOYRIT-PKTZIBPZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406528 1068877264 /nfs/dbraw/zinc/87/72/64/1068877264.db2.gz YZEURNCDEOYRIT-PKTZIBPZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406528 1068877271 /nfs/dbraw/zinc/87/72/71/1068877271.db2.gz YZEURNCDEOYRIT-PKTZIBPZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306439972 1068947182 /nfs/dbraw/zinc/94/71/82/1068947182.db2.gz CEVKBEGPTMGWKH-VDKIKQQVSA-N 2 1 497.732 3.567 20 0 JHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001306586538 1069253334 /nfs/dbraw/zinc/25/33/34/1069253334.db2.gz IDBHYYYPZPCUQS-LADGPHEKSA-N 2 1 452.599 3.539 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCOCC34C[NH2+]C4)n2)CC1 ZINC001164407231 718860685 /nfs/dbraw/zinc/86/06/85/718860685.db2.gz YEAIAKVAEYRPCN-UHFFFAOYSA-N 2 1 455.653 3.830 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164684300 719673600 /nfs/dbraw/zinc/67/36/00/719673600.db2.gz SXKFHXRWQGINJO-QFIPXVFZSA-N 2 1 476.669 3.560 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)[nH+]cc21 ZINC001164710441 720136849 /nfs/dbraw/zinc/13/68/49/720136849.db2.gz BMWVLGYLDSDLRD-HXUWFJFHSA-N 2 1 463.582 3.642 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831167 720351066 /nfs/dbraw/zinc/35/10/66/720351066.db2.gz XXPIADCGGMLPBC-SDHSZQHLSA-N 2 1 453.675 3.930 20 0 JHADMP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745201 720850475 /nfs/dbraw/zinc/85/04/75/720850475.db2.gz MPJPVXWGDVUPTB-VDKIKQQVSA-N 2 1 457.626 3.806 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]2C1 ZINC001164861447 720876620 /nfs/dbraw/zinc/87/66/20/720876620.db2.gz PNOVVPAKGOZKHX-RZUBCFFCSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@H]2C1 ZINC001164861447 720876622 /nfs/dbraw/zinc/87/66/22/720876622.db2.gz PNOVVPAKGOZKHX-RZUBCFFCSA-N 2 1 499.725 3.585 20 0 JHADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C2)C[NH+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919423 /nfs/dbraw/zinc/91/94/23/720919423.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919425 /nfs/dbraw/zinc/91/94/25/720919425.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 2 1 461.654 3.826 20 0 JHADMP C[NH+](Cc1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1)C1CC1 ZINC001164754605 720919427 /nfs/dbraw/zinc/91/94/27/720919427.db2.gz WEHLQFFUVHHLJD-LBNVMWSVSA-N 2 1 461.654 3.826 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897471 721446531 /nfs/dbraw/zinc/44/65/31/721446531.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897471 721446535 /nfs/dbraw/zinc/44/65/35/721446535.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897471 721446539 /nfs/dbraw/zinc/44/65/39/721446539.db2.gz UDQGJRVQQCBJSE-WEWMWRJBSA-N 2 1 455.691 3.784 20 0 JHADMP Fc1ccc(-c2nn(-c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)c3c2CC[NH2+]CC3)cc1 ZINC001164798051 721597067 /nfs/dbraw/zinc/59/70/67/721597067.db2.gz IOTGBKREQHNEDX-UHFFFAOYSA-N 2 1 454.553 3.715 20 0 JHADMP Fc1ccc(-c2nn(-c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)c3c2CC[NH2+]CC3)cc1 ZINC001164798051 721597069 /nfs/dbraw/zinc/59/70/69/721597069.db2.gz IOTGBKREQHNEDX-UHFFFAOYSA-N 2 1 454.553 3.715 20 0 JHADMP Fc1ccc(-c2nn(-c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)c3c2CC[NH2+]CC3)cc1 ZINC001164804072 721597198 /nfs/dbraw/zinc/59/71/98/721597198.db2.gz XYZSOUSNTMFCJA-UHFFFAOYSA-N 2 1 454.553 3.715 20 0 JHADMP Fc1ccc(-c2nn(-c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)c3c2CC[NH2+]CC3)cc1 ZINC001164804072 721597199 /nfs/dbraw/zinc/59/71/99/721597199.db2.gz XYZSOUSNTMFCJA-UHFFFAOYSA-N 2 1 454.553 3.715 20 0 JHADMP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912274 721737131 /nfs/dbraw/zinc/73/71/31/721737131.db2.gz NPTCIPZJNVHGHN-DEOSSOPVSA-N 2 1 457.569 3.593 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001311343286 1069330545 /nfs/dbraw/zinc/33/05/45/1069330545.db2.gz CRXFFLZPYSYRBI-NZJKTDFXSA-N 2 1 450.627 3.899 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350619 1069336900 /nfs/dbraw/zinc/33/69/00/1069336900.db2.gz WKDKCAUAIICQNN-NVQXNPDNSA-N 2 1 454.615 3.518 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306648486 1069360049 /nfs/dbraw/zinc/36/00/49/1069360049.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306648486 1069360065 /nfs/dbraw/zinc/36/00/65/1069360065.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306648486 1069360076 /nfs/dbraw/zinc/36/00/76/1069360076.db2.gz RHJXYLLWMUEIRN-UPVQGACJSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC001306652774 1069364357 /nfs/dbraw/zinc/36/43/57/1069364357.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001306652774 1069364367 /nfs/dbraw/zinc/36/43/67/1069364367.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC001306652774 1069364376 /nfs/dbraw/zinc/36/43/76/1069364376.db2.gz YDYXMXZCUIOMCQ-ZEQRLZLVSA-N 2 1 454.663 3.757 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001311440196 1069381214 /nfs/dbraw/zinc/38/12/14/1069381214.db2.gz CGQWZTKFBZXVNB-FTJBHMTQSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001311440196 1069381216 /nfs/dbraw/zinc/38/12/16/1069381216.db2.gz CGQWZTKFBZXVNB-FTJBHMTQSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001311440196 1069381218 /nfs/dbraw/zinc/38/12/18/1069381218.db2.gz CGQWZTKFBZXVNB-FTJBHMTQSA-N 2 1 458.691 3.718 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001306681486 1069410497 /nfs/dbraw/zinc/41/04/97/1069410497.db2.gz ZUWQVCATRWRDMB-UHFFFAOYSA-N 2 1 487.737 3.727 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306686269 1069422363 /nfs/dbraw/zinc/42/23/63/1069422363.db2.gz CQKTWBIDZBEGQR-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001306686269 1069422370 /nfs/dbraw/zinc/42/23/70/1069422370.db2.gz CQKTWBIDZBEGQR-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001306686269 1069422376 /nfs/dbraw/zinc/42/23/76/1069422376.db2.gz CQKTWBIDZBEGQR-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569760 1069442144 /nfs/dbraw/zinc/44/21/44/1069442144.db2.gz GTSZLGOMXRNCDF-DHIUTWEWSA-N 2 1 456.656 3.587 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306721574 1069458434 /nfs/dbraw/zinc/45/84/34/1069458434.db2.gz BTVPBJIMXPBKCZ-YCAMKHIRSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306721574 1069458438 /nfs/dbraw/zinc/45/84/38/1069458438.db2.gz BTVPBJIMXPBKCZ-YCAMKHIRSA-N 2 1 460.711 3.993 20 0 JHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001311725264 1069522642 /nfs/dbraw/zinc/52/26/42/1069522642.db2.gz ALOZBXOMFWWQTN-SANMLTNESA-N 2 1 450.627 3.629 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786994 1069590494 /nfs/dbraw/zinc/59/04/94/1069590494.db2.gz ZFFYQYJQEWMGGB-UKILVPOCSA-N 2 1 468.690 3.778 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001306805304 1069615663 /nfs/dbraw/zinc/61/56/63/1069615663.db2.gz XVDWIIJEUDNZHI-VWNXMTODSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001306805304 1069615668 /nfs/dbraw/zinc/61/56/68/1069615668.db2.gz XVDWIIJEUDNZHI-VWNXMTODSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001306805304 1069615672 /nfs/dbraw/zinc/61/56/72/1069615672.db2.gz XVDWIIJEUDNZHI-VWNXMTODSA-N 2 1 454.663 3.962 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956046 1069634768 /nfs/dbraw/zinc/63/47/68/1069634768.db2.gz FXHQKLXSOQIUPC-RDGATRHJSA-N 2 1 450.627 3.729 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026762 1069681026 /nfs/dbraw/zinc/68/10/26/1069681026.db2.gz WDGGOQCQEMAGBD-UODIDJSMSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026762 1069681033 /nfs/dbraw/zinc/68/10/33/1069681033.db2.gz WDGGOQCQEMAGBD-UODIDJSMSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312026762 1069681042 /nfs/dbraw/zinc/68/10/42/1069681042.db2.gz WDGGOQCQEMAGBD-UODIDJSMSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312026762 1069681048 /nfs/dbraw/zinc/68/10/48/1069681048.db2.gz WDGGOQCQEMAGBD-UODIDJSMSA-N 2 1 450.627 3.630 20 0 JHADMP CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001307033887 1069749079 /nfs/dbraw/zinc/74/90/79/1069749079.db2.gz NMRARRBQAQYLOS-FQEVSTJZSA-N 2 1 470.662 3.615 20 0 JHADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCC([NH+]3CCN(C(C)C)CC3)CC2)CC1 ZINC001307043890 1069775344 /nfs/dbraw/zinc/77/53/44/1069775344.db2.gz MAWTXDSJVZTBOA-UHFFFAOYSA-N 2 1 487.781 3.984 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC001307044570 1069777795 /nfs/dbraw/zinc/77/77/95/1069777795.db2.gz RCVFUGTYJGULGI-SMIHKQSGSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001307046565 1069786197 /nfs/dbraw/zinc/78/61/97/1069786197.db2.gz QOYBQXBQXYJZCF-UHFFFAOYSA-N 2 1 484.689 3.908 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCCn2cc[nH+]c2C)CC1 ZINC001307047916 1069792115 /nfs/dbraw/zinc/79/21/15/1069792115.db2.gz FGMJOYNKZAQDNJ-UHFFFAOYSA-N 2 1 453.610 3.914 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001307047988 1069792130 /nfs/dbraw/zinc/79/21/30/1069792130.db2.gz IUJMIDDXZZGIDF-QHCPKHFHSA-N 2 1 453.679 3.839 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001307048031 1069792594 /nfs/dbraw/zinc/79/25/94/1069792594.db2.gz KHGXEYREQVMTBI-LJQANCHMSA-N 2 1 460.617 3.942 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001307057453 1069834025 /nfs/dbraw/zinc/83/40/25/1069834025.db2.gz FWXBJPNBUNASKE-NRFANRHFSA-N 2 1 459.708 3.819 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307058169 1069835862 /nfs/dbraw/zinc/83/58/62/1069835862.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001307058169 1069835892 /nfs/dbraw/zinc/83/58/92/1069835892.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001307058169 1069835922 /nfs/dbraw/zinc/83/59/22/1069835922.db2.gz YIGOFYLFJJSDOO-IFMALSPDSA-N 2 1 470.662 3.757 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC001312423827 1069925781 /nfs/dbraw/zinc/92/57/81/1069925781.db2.gz RROIULBHKTZHQS-JOCHJYFZSA-N 2 1 459.654 3.632 20 0 JHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC001312657465 1070066248 /nfs/dbraw/zinc/06/62/48/1070066248.db2.gz XGNCBOQOUIOIAN-FQEVSTJZSA-N 2 1 451.453 3.929 20 0 JHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076168 /nfs/dbraw/zinc/07/61/68/1070076168.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076185 /nfs/dbraw/zinc/07/61/85/1070076185.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076198 /nfs/dbraw/zinc/07/61/98/1070076198.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076211 /nfs/dbraw/zinc/07/62/11/1070076211.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674997 1070076227 /nfs/dbraw/zinc/07/62/27/1070076227.db2.gz NJCYVSUYJWUUEX-DHIUTWEWSA-N 2 1 450.071 3.533 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162134 /nfs/dbraw/zinc/16/21/34/1070162134.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 2 1 453.602 3.850 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162142 /nfs/dbraw/zinc/16/21/42/1070162142.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 2 1 453.602 3.850 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC001307743403 1070162150 /nfs/dbraw/zinc/16/21/50/1070162150.db2.gz GNCYUWGBPGMLMP-UHFFFAOYSA-N 2 1 453.602 3.850 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H](Cc1ccccc1)c1ncco1 ZINC001312917799 1070180436 /nfs/dbraw/zinc/18/04/36/1070180436.db2.gz IQGRALVMHGWTIL-XMMPIXPASA-N 2 1 453.631 3.796 20 0 JHADMP CCOCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314388531 1070238815 /nfs/dbraw/zinc/23/88/15/1070238815.db2.gz KWYAJEVTBVUJDU-HXUWFJFHSA-N 2 1 468.671 3.869 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC001313175884 1070281859 /nfs/dbraw/zinc/28/18/59/1070281859.db2.gz PXEPBLYYZAAXJU-XMMPIXPASA-N 2 1 459.034 3.623 20 0 JHADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC001313175884 1070281868 /nfs/dbraw/zinc/28/18/68/1070281868.db2.gz PXEPBLYYZAAXJU-XMMPIXPASA-N 2 1 459.034 3.623 20 0 JHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178749 1070283669 /nfs/dbraw/zinc/28/36/69/1070283669.db2.gz STAMMRKXASQICQ-SANMLTNESA-N 2 1 458.691 3.985 20 0 JHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178749 1070283679 /nfs/dbraw/zinc/28/36/79/1070283679.db2.gz STAMMRKXASQICQ-SANMLTNESA-N 2 1 458.691 3.985 20 0 JHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178749 1070283688 /nfs/dbraw/zinc/28/36/88/1070283688.db2.gz STAMMRKXASQICQ-SANMLTNESA-N 2 1 458.691 3.985 20 0 JHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178749 1070283697 /nfs/dbraw/zinc/28/36/97/1070283697.db2.gz STAMMRKXASQICQ-SANMLTNESA-N 2 1 458.691 3.985 20 0 JHADMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[NH+]2CCCCCC2)cc1 ZINC001309049395 1070507627 /nfs/dbraw/zinc/50/76/27/1070507627.db2.gz CKBYZQUHFRIOQY-IZZNHLLZSA-N 2 1 455.668 3.758 20 0 JHADMP C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CCSC1 ZINC001314659134 1070780707 /nfs/dbraw/zinc/78/07/07/1070780707.db2.gz MEIGUDFGJVLDDT-HSZRJFAPSA-N 2 1 462.733 3.688 20 0 JHADMP C[NH+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001314667089 1070800808 /nfs/dbraw/zinc/80/08/08/1070800808.db2.gz DNSWGHNQPDPCQU-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP C[NH+](C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314671780 1070816298 /nfs/dbraw/zinc/81/62/98/1070816298.db2.gz WCBGBQHINKHTBX-UHFFFAOYSA-N 2 1 454.619 3.580 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313663395 1070871932 /nfs/dbraw/zinc/87/19/32/1070871932.db2.gz HWDOXIAQSJBVEX-RCZVLFRGSA-N 2 1 484.689 3.889 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314713008 1070899921 /nfs/dbraw/zinc/89/99/21/1070899921.db2.gz AYGSMRWSLUJAGP-UHFFFAOYSA-N 2 1 460.711 3.995 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676305 1070920638 /nfs/dbraw/zinc/92/06/38/1070920638.db2.gz VMVJSHGTRQFQHJ-GMKZXUHWSA-N 2 1 468.690 3.816 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001313693649 1070955335 /nfs/dbraw/zinc/95/53/35/1070955335.db2.gz MTIHDHUPMWZPGV-UHFFFAOYSA-N 2 1 490.643 3.569 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001313693649 1070955343 /nfs/dbraw/zinc/95/53/43/1070955343.db2.gz MTIHDHUPMWZPGV-UHFFFAOYSA-N 2 1 490.643 3.569 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001313694944 1070957976 /nfs/dbraw/zinc/95/79/76/1070957976.db2.gz YKPBNVUAGXFXPR-UHFFFAOYSA-N 2 1 489.108 3.944 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)C1 ZINC001314748222 1070997052 /nfs/dbraw/zinc/99/70/52/1070997052.db2.gz BZONZLUCMXKEBV-BJKOFHAPSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001314748222 1070997055 /nfs/dbraw/zinc/99/70/55/1070997055.db2.gz BZONZLUCMXKEBV-BJKOFHAPSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001314748222 1070997059 /nfs/dbraw/zinc/99/70/59/1070997059.db2.gz BZONZLUCMXKEBV-BJKOFHAPSA-N 2 1 468.690 3.523 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313711980 1071007491 /nfs/dbraw/zinc/00/74/91/1071007491.db2.gz JTWMDFGJPXERSP-XZOQPEGZSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313715517 1071013992 /nfs/dbraw/zinc/01/39/92/1071013992.db2.gz IBSNLHMDLPRNIH-FQEVSTJZSA-N 2 1 455.676 3.960 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+]2CCCC[C@@H]2C1)C(C)C ZINC001313802246 1071208241 /nfs/dbraw/zinc/20/82/41/1071208241.db2.gz CVQUHPAMNQAEKJ-HXUWFJFHSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC001313802246 1071208253 /nfs/dbraw/zinc/20/82/53/1071208253.db2.gz CVQUHPAMNQAEKJ-HXUWFJFHSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)C(C)C ZINC001313802246 1071208262 /nfs/dbraw/zinc/20/82/62/1071208262.db2.gz CVQUHPAMNQAEKJ-HXUWFJFHSA-N 2 1 462.589 3.951 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001313807713 1071229477 /nfs/dbraw/zinc/22/94/77/1071229477.db2.gz WEUXPYZYZIPNLF-UHFFFAOYSA-N 2 1 454.663 3.532 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313810195 1071240187 /nfs/dbraw/zinc/24/01/87/1071240187.db2.gz MATARRWTDNGILI-UHFFFAOYSA-N 2 1 465.568 3.679 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313810899 1071244027 /nfs/dbraw/zinc/24/40/27/1071244027.db2.gz ZZYYQHSGXMVCLQ-UHFFFAOYSA-N 2 1 451.619 3.861 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@@H]1C)C(C)C ZINC001313819022 1071271109 /nfs/dbraw/zinc/27/11/09/1071271109.db2.gz FUHMGJHEZBLUTQ-BJKOFHAPSA-N 2 1 499.773 3.703 20 0 JHADMP CC[N@@H+](CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286275 /nfs/dbraw/zinc/28/62/75/1071286275.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 2 1 484.689 3.585 20 0 JHADMP CC[NH+](CCn1c(COc2cccc(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286282 /nfs/dbraw/zinc/28/62/82/1071286282.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 2 1 484.689 3.585 20 0 JHADMP CC[NH+](CCn1c(COc2cccc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313822647 1071286291 /nfs/dbraw/zinc/28/62/91/1071286291.db2.gz UKMCGCIIQMTTNR-QHCPKHFHSA-N 2 1 484.689 3.585 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314872737 1071288055 /nfs/dbraw/zinc/28/80/55/1071288055.db2.gz TXZQSPMDZWQRDQ-UHFFFAOYSA-N 2 1 472.653 3.896 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314872737 1071288058 /nfs/dbraw/zinc/28/80/58/1071288058.db2.gz TXZQSPMDZWQRDQ-UHFFFAOYSA-N 2 1 472.653 3.896 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001313858748 1071361909 /nfs/dbraw/zinc/36/19/09/1071361909.db2.gz HURZHRAFVZNWFP-BHIFYINESA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001313858748 1071361921 /nfs/dbraw/zinc/36/19/21/1071361921.db2.gz HURZHRAFVZNWFP-BHIFYINESA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001313858748 1071361938 /nfs/dbraw/zinc/36/19/38/1071361938.db2.gz HURZHRAFVZNWFP-BHIFYINESA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001313858748 1071361954 /nfs/dbraw/zinc/36/19/54/1071361954.db2.gz HURZHRAFVZNWFP-BHIFYINESA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859783 1071365936 /nfs/dbraw/zinc/36/59/36/1071365936.db2.gz ICAOYHHSNOYUQK-FIXSFTCYSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859284 1071362969 /nfs/dbraw/zinc/36/29/69/1071362969.db2.gz FJVUWKLXVHMUBQ-SLFFLAALSA-N 2 1 458.626 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001313859711 1071364433 /nfs/dbraw/zinc/36/44/33/1071364433.db2.gz GXSMGEMJVKTIEM-HKBOAZHASA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1C ZINC001313859711 1071364444 /nfs/dbraw/zinc/36/44/44/1071364444.db2.gz GXSMGEMJVKTIEM-HKBOAZHASA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H]1C ZINC001313859711 1071364448 /nfs/dbraw/zinc/36/44/48/1071364448.db2.gz GXSMGEMJVKTIEM-HKBOAZHASA-N 2 1 456.610 3.738 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313859784 1071365267 /nfs/dbraw/zinc/36/52/67/1071365267.db2.gz ICAOYHHSNOYUQK-GPXNEJASSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861281 1071372946 /nfs/dbraw/zinc/37/29/46/1071372946.db2.gz QCGFUZUVOKHETK-FCHUYYIVSA-N 2 1 482.677 3.501 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313864134 1071384915 /nfs/dbraw/zinc/38/49/15/1071384915.db2.gz XINAVSXMOHCNCX-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313864134 1071384942 /nfs/dbraw/zinc/38/49/42/1071384942.db2.gz XINAVSXMOHCNCX-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387718 /nfs/dbraw/zinc/38/77/18/1071387718.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387734 /nfs/dbraw/zinc/38/77/34/1071387734.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313864604 1071387750 /nfs/dbraw/zinc/38/77/50/1071387750.db2.gz ZDCTWUHFVHDJAU-QZTJIDSGSA-N 2 1 463.468 3.967 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489569 1071427601 /nfs/dbraw/zinc/42/76/01/1071427601.db2.gz IGFCSVBFZWNRGD-SDHSZQHLSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489567 1071427629 /nfs/dbraw/zinc/42/76/29/1071427629.db2.gz IGFCSVBFZWNRGD-GVAUOCQISA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428917 /nfs/dbraw/zinc/42/89/17/1071428917.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428921 /nfs/dbraw/zinc/42/89/21/1071428921.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313874506 1071428923 /nfs/dbraw/zinc/42/89/23/1071428923.db2.gz IHLCEZHFNMUAIF-PTUXOGIPSA-N 2 1 470.710 3.569 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428976 /nfs/dbraw/zinc/42/89/76/1071428976.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428980 /nfs/dbraw/zinc/42/89/80/1071428980.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313874507 1071428984 /nfs/dbraw/zinc/42/89/84/1071428984.db2.gz IHLCEZHFNMUAIF-VJBMBRPKSA-N 2 1 470.710 3.569 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@@H]1C ZINC001313878797 1071445909 /nfs/dbraw/zinc/44/59/09/1071445909.db2.gz VTSRGOGCBCVFDN-GOTSBHOMSA-N 2 1 454.663 3.960 20 0 JHADMP CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313882870 1071459648 /nfs/dbraw/zinc/45/96/48/1071459648.db2.gz NRWYYYBOKZNFKZ-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001313887106 1071472510 /nfs/dbraw/zinc/47/25/10/1071472510.db2.gz TVZHLFKSMGNFBY-GOSISDBHSA-N 2 1 479.044 3.626 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001313887106 1071472515 /nfs/dbraw/zinc/47/25/15/1071472515.db2.gz TVZHLFKSMGNFBY-GOSISDBHSA-N 2 1 479.044 3.626 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001313887106 1071472519 /nfs/dbraw/zinc/47/25/19/1071472519.db2.gz TVZHLFKSMGNFBY-GOSISDBHSA-N 2 1 479.044 3.626 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001313887106 1071472522 /nfs/dbraw/zinc/47/25/22/1071472522.db2.gz TVZHLFKSMGNFBY-GOSISDBHSA-N 2 1 479.044 3.626 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001313890143 1071482465 /nfs/dbraw/zinc/48/24/65/1071482465.db2.gz MIXQFFPZKNQXNV-QZTJIDSGSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001313890143 1071482469 /nfs/dbraw/zinc/48/24/69/1071482469.db2.gz MIXQFFPZKNQXNV-QZTJIDSGSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001313890143 1071482473 /nfs/dbraw/zinc/48/24/73/1071482473.db2.gz MIXQFFPZKNQXNV-QZTJIDSGSA-N 2 1 491.478 3.588 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313896188 1071499381 /nfs/dbraw/zinc/49/93/81/1071499381.db2.gz NFXLCPXLXSAGAD-QFIPXVFZSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313905727 1071522162 /nfs/dbraw/zinc/52/21/62/1071522162.db2.gz QXRVCINHWCDACU-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313905727 1071522170 /nfs/dbraw/zinc/52/21/70/1071522170.db2.gz QXRVCINHWCDACU-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313905727 1071522182 /nfs/dbraw/zinc/52/21/82/1071522182.db2.gz QXRVCINHWCDACU-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313931295 1071591747 /nfs/dbraw/zinc/59/17/47/1071591747.db2.gz QVXZTSGVGGJTBI-MSOLQXFVSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313931295 1071591752 /nfs/dbraw/zinc/59/17/52/1071591752.db2.gz QVXZTSGVGGJTBI-MSOLQXFVSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604196 /nfs/dbraw/zinc/60/41/96/1071604196.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604198 /nfs/dbraw/zinc/60/41/98/1071604198.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313934992 1071604202 /nfs/dbraw/zinc/60/42/02/1071604202.db2.gz UOVKZUMIPZPEBV-OALUTQOASA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001313942376 1071620245 /nfs/dbraw/zinc/62/02/45/1071620245.db2.gz IFAUDUCJDMJYMJ-DHIUTWEWSA-N 2 1 478.689 3.800 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944462 1071624934 /nfs/dbraw/zinc/62/49/34/1071624934.db2.gz CDELGQCEFBASKS-NZQKXSOJSA-N 2 1 474.097 3.545 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629146 /nfs/dbraw/zinc/62/91/46/1071629146.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629151 /nfs/dbraw/zinc/62/91/51/1071629151.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946650 1071629156 /nfs/dbraw/zinc/62/91/56/1071629156.db2.gz SOQMCTNGEUQEKX-OFNKIYASSA-N 2 1 454.663 3.528 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313947110 1071631177 /nfs/dbraw/zinc/63/11/77/1071631177.db2.gz FIKURXIIGWBVKZ-NRFANRHFSA-N 2 1 451.619 3.681 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313947110 1071631182 /nfs/dbraw/zinc/63/11/82/1071631182.db2.gz FIKURXIIGWBVKZ-NRFANRHFSA-N 2 1 451.619 3.681 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313948592 1071633886 /nfs/dbraw/zinc/63/38/86/1071633886.db2.gz LSLNSOHZMJXMHH-HSZRJFAPSA-N 2 1 499.773 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313948592 1071633891 /nfs/dbraw/zinc/63/38/91/1071633891.db2.gz LSLNSOHZMJXMHH-HSZRJFAPSA-N 2 1 499.773 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634478 /nfs/dbraw/zinc/63/44/78/1071634478.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634480 /nfs/dbraw/zinc/63/44/80/1071634480.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001313948934 1071634482 /nfs/dbraw/zinc/63/44/82/1071634482.db2.gz MHIQFLWFTIFIJA-VQTJNVASSA-N 2 1 458.676 3.594 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635804 /nfs/dbraw/zinc/63/58/04/1071635804.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635810 /nfs/dbraw/zinc/63/58/10/1071635810.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635813 /nfs/dbraw/zinc/63/58/13/1071635813.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 2 1 486.730 3.766 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313952111 1071644476 /nfs/dbraw/zinc/64/44/76/1071644476.db2.gz NCGLCRBNGNHRFV-OAQYLSRUSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001313952111 1071644480 /nfs/dbraw/zinc/64/44/80/1071644480.db2.gz NCGLCRBNGNHRFV-OAQYLSRUSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313952111 1071644484 /nfs/dbraw/zinc/64/44/84/1071644484.db2.gz NCGLCRBNGNHRFV-OAQYLSRUSA-N 2 1 474.097 3.547 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001314125661 1072033572 /nfs/dbraw/zinc/03/35/72/1072033572.db2.gz OZXQOHMWBUUUGL-FKCDAAJZSA-N 2 1 490.737 3.609 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306319812 1068747272 /nfs/dbraw/zinc/74/72/72/1068747272.db2.gz XHZLDJWNUNFBRP-IRLDBZIGSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001306319812 1068747276 /nfs/dbraw/zinc/74/72/76/1068747276.db2.gz XHZLDJWNUNFBRP-IRLDBZIGSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306386598 1068820503 /nfs/dbraw/zinc/82/05/03/1068820503.db2.gz JYVFWKFOVOYSCN-LEWJYISDSA-N 2 1 460.692 3.847 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306391024 1068830595 /nfs/dbraw/zinc/83/05/95/1068830595.db2.gz VMNVFBAFCPSVJK-UKILVPOCSA-N 2 1 498.716 3.968 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306402491 1068863899 /nfs/dbraw/zinc/86/38/99/1068863899.db2.gz BAGSXNCGRXDYHZ-XZOQPEGZSA-N 2 1 484.620 3.836 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306408647 1068886599 /nfs/dbraw/zinc/88/65/99/1068886599.db2.gz CNDXUPXOELAVTP-QHCPKHFHSA-N 2 1 454.663 3.757 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306410133 1068890108 /nfs/dbraw/zinc/89/01/08/1068890108.db2.gz CYHIWYCYGZHQCQ-BHDDXSALSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306410133 1068890120 /nfs/dbraw/zinc/89/01/20/1068890120.db2.gz CYHIWYCYGZHQCQ-BHDDXSALSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306410133 1068890127 /nfs/dbraw/zinc/89/01/27/1068890127.db2.gz CYHIWYCYGZHQCQ-BHDDXSALSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306424903 1068918236 /nfs/dbraw/zinc/91/82/36/1068918236.db2.gz HIMXUAHTVVJMNZ-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306424903 1068918251 /nfs/dbraw/zinc/91/82/51/1068918251.db2.gz HIMXUAHTVVJMNZ-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306424903 1068918265 /nfs/dbraw/zinc/91/82/65/1068918265.db2.gz HIMXUAHTVVJMNZ-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306433411 1068935654 /nfs/dbraw/zinc/93/56/54/1068935654.db2.gz KYPFVWFGLDRZRJ-NHTMILBNSA-N 2 1 468.690 3.717 20 0 JHADMP CC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306440636 1068948248 /nfs/dbraw/zinc/94/82/48/1068948248.db2.gz OAMLIXKOHLSKQS-QHCPKHFHSA-N 2 1 486.680 3.820 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306447697 1068962145 /nfs/dbraw/zinc/96/21/45/1068962145.db2.gz VNDKURVCJZDNGV-CQOQZXRMSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306447697 1068962150 /nfs/dbraw/zinc/96/21/50/1068962150.db2.gz VNDKURVCJZDNGV-CQOQZXRMSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306447697 1068962157 /nfs/dbraw/zinc/96/21/57/1068962157.db2.gz VNDKURVCJZDNGV-CQOQZXRMSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306450392 1068969555 /nfs/dbraw/zinc/96/95/55/1068969555.db2.gz MGFPQCNGYHJAJT-LOSJGSFVSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450392 1068969575 /nfs/dbraw/zinc/96/95/75/1068969575.db2.gz MGFPQCNGYHJAJT-LOSJGSFVSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450392 1068969592 /nfs/dbraw/zinc/96/95/92/1068969592.db2.gz MGFPQCNGYHJAJT-LOSJGSFVSA-N 2 1 482.717 3.731 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164404087 718864361 /nfs/dbraw/zinc/86/43/61/718864361.db2.gz ACLFTSOXQGMLJQ-GGPKGHCWSA-N 2 1 455.672 3.617 20 0 JHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@H](C)C4)CC[NH2+]CC2 ZINC001164428035 718949199 /nfs/dbraw/zinc/94/91/99/718949199.db2.gz HVSJEQYYAYRFFG-INIZCTEOSA-N 2 1 450.656 3.984 20 0 JHADMP COc1cc2c(cc1OCc1ccccc1)ncnc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683083 719610326 /nfs/dbraw/zinc/61/03/26/719610326.db2.gz HJAIGZBOSRHSPU-UHFFFAOYSA-N 2 1 472.593 3.889 20 0 JHADMP COc1cc2c(cc1OCc1ccccc1)ncnc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683083 719610340 /nfs/dbraw/zinc/61/03/40/719610340.db2.gz HJAIGZBOSRHSPU-UHFFFAOYSA-N 2 1 472.593 3.889 20 0 JHADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1C[NH2+]C2 ZINC001164710492 720079429 /nfs/dbraw/zinc/07/94/29/720079429.db2.gz IXDLOPTVMUOCFS-OAHLLOKOSA-N 2 1 452.628 3.737 20 0 JHADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738367 720821733 /nfs/dbraw/zinc/82/17/33/720821733.db2.gz FBOGPNIDCPZKEB-STROYTFGSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738367 720821735 /nfs/dbraw/zinc/82/17/35/720821735.db2.gz FBOGPNIDCPZKEB-STROYTFGSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@H]2C[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738367 720821737 /nfs/dbraw/zinc/82/17/37/720821737.db2.gz FBOGPNIDCPZKEB-STROYTFGSA-N 2 1 483.664 3.611 20 0 JHADMP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747234 720874003 /nfs/dbraw/zinc/87/40/03/720874003.db2.gz AUJVEJLJZXRVES-IGKIAQTJSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164747234 720874007 /nfs/dbraw/zinc/87/40/07/720874007.db2.gz AUJVEJLJZXRVES-IGKIAQTJSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164747234 720874008 /nfs/dbraw/zinc/87/40/08/720874008.db2.gz AUJVEJLJZXRVES-IGKIAQTJSA-N 2 1 462.642 3.535 20 0 JHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164784486 721460935 /nfs/dbraw/zinc/46/09/35/721460935.db2.gz IKQJEHUROTXDLF-JOCHJYFZSA-N 2 1 469.626 3.986 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913990 721734771 /nfs/dbraw/zinc/73/47/71/721734771.db2.gz ZVWIUXJJMUEHLY-DEOSSOPVSA-N 3 1 457.569 3.687 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913990 721734775 /nfs/dbraw/zinc/73/47/75/721734775.db2.gz ZVWIUXJJMUEHLY-DEOSSOPVSA-N 2 1 457.569 3.687 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913990 721734778 /nfs/dbraw/zinc/73/47/78/721734778.db2.gz ZVWIUXJJMUEHLY-DEOSSOPVSA-N 2 1 457.569 3.687 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974035 722124552 /nfs/dbraw/zinc/12/45/52/722124552.db2.gz IHJCXFISMAPKKL-ZCYQVOJMSA-N 2 1 454.578 3.602 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974035 722124555 /nfs/dbraw/zinc/12/45/55/722124555.db2.gz IHJCXFISMAPKKL-ZCYQVOJMSA-N 2 1 454.578 3.602 20 0 JHADMP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCCCC1 ZINC001311343804 1069331220 /nfs/dbraw/zinc/33/12/20/1069331220.db2.gz IDXKXHCAKGVUSG-UHFFFAOYSA-N 2 1 451.453 3.977 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)cc2)CC1 ZINC001311358293 1069341839 /nfs/dbraw/zinc/34/18/39/1069341839.db2.gz RDSJRPNZZDXBCP-JOCHJYFZSA-N 2 1 451.659 3.753 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001306646586 1069357152 /nfs/dbraw/zinc/35/71/52/1069357152.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001306646586 1069357165 /nfs/dbraw/zinc/35/71/65/1069357165.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001306646586 1069357178 /nfs/dbraw/zinc/35/71/78/1069357178.db2.gz LZTMOGAULACWOG-RTWAWAEBSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306648484 1069359770 /nfs/dbraw/zinc/35/97/70/1069359770.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306648484 1069359774 /nfs/dbraw/zinc/35/97/74/1069359774.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306648484 1069359791 /nfs/dbraw/zinc/35/97/91/1069359791.db2.gz RHJXYLLWMUEIRN-LADGPHEKSA-N 2 1 468.690 3.923 20 0 JHADMP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306654680 1069366464 /nfs/dbraw/zinc/36/64/64/1069366464.db2.gz QZSYSNWBMLCQDB-ZEQRLZLVSA-N 2 1 467.706 3.752 20 0 JHADMP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001311432634 1069377533 /nfs/dbraw/zinc/37/75/33/1069377533.db2.gz JENWUGXVXSGYDA-RRPNLBNLSA-N 2 1 481.660 3.511 20 0 JHADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001311432634 1069377543 /nfs/dbraw/zinc/37/75/43/1069377543.db2.gz JENWUGXVXSGYDA-RRPNLBNLSA-N 2 1 481.660 3.511 20 0 JHADMP CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001311432634 1069377552 /nfs/dbraw/zinc/37/75/52/1069377552.db2.gz JENWUGXVXSGYDA-RRPNLBNLSA-N 2 1 481.660 3.511 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[NH+](CC)C2)CC1 ZINC001306677701 1069401541 /nfs/dbraw/zinc/40/15/41/1069401541.db2.gz AYOFNONLRABGDV-QHCPKHFHSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001306677701 1069401545 /nfs/dbraw/zinc/40/15/45/1069401545.db2.gz AYOFNONLRABGDV-QHCPKHFHSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001306677701 1069401550 /nfs/dbraw/zinc/40/15/50/1069401550.db2.gz AYOFNONLRABGDV-QHCPKHFHSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306678179 1069402660 /nfs/dbraw/zinc/40/26/60/1069402660.db2.gz JBUUNENVHHREEX-DEOSSOPVSA-N 2 1 490.737 3.703 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306679366 1069405084 /nfs/dbraw/zinc/40/50/84/1069405084.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 2 1 467.662 3.554 20 0 JHADMP CCCC[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306679366 1069405091 /nfs/dbraw/zinc/40/50/91/1069405091.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 2 1 467.662 3.554 20 0 JHADMP CCCC[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001306679366 1069405096 /nfs/dbraw/zinc/40/50/96/1069405096.db2.gz IIQZFZWDGIZIAX-QHCPKHFHSA-N 2 1 467.662 3.554 20 0 JHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001311497915 1069407208 /nfs/dbraw/zinc/40/72/08/1069407208.db2.gz SGCQHZLBVWKYPC-QFQXNSOFSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001311497915 1069407217 /nfs/dbraw/zinc/40/72/17/1069407217.db2.gz SGCQHZLBVWKYPC-QFQXNSOFSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001311497915 1069407229 /nfs/dbraw/zinc/40/72/29/1069407229.db2.gz SGCQHZLBVWKYPC-QFQXNSOFSA-N 2 1 450.627 3.627 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306722423 1069460238 /nfs/dbraw/zinc/46/02/38/1069460238.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722423 1069460241 /nfs/dbraw/zinc/46/02/41/1069460241.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722423 1069460243 /nfs/dbraw/zinc/46/02/43/1069460243.db2.gz LBGBZFBDJMYINL-RBZQAINGSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306722396 1069460324 /nfs/dbraw/zinc/46/03/24/1069460324.db2.gz KQDZVIWZBAYEMG-QFIPXVFZSA-N 2 1 496.704 3.891 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306722396 1069460328 /nfs/dbraw/zinc/46/03/28/1069460328.db2.gz KQDZVIWZBAYEMG-QFIPXVFZSA-N 2 1 496.704 3.891 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306722396 1069460329 /nfs/dbraw/zinc/46/03/29/1069460329.db2.gz KQDZVIWZBAYEMG-QFIPXVFZSA-N 2 1 496.704 3.891 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306725888 1069467755 /nfs/dbraw/zinc/46/77/55/1069467755.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306725888 1069467759 /nfs/dbraw/zinc/46/77/59/1069467759.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306725888 1069467762 /nfs/dbraw/zinc/46/77/62/1069467762.db2.gz HQEKIHLROGWMKE-UGKGYDQZSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306726019 1069467800 /nfs/dbraw/zinc/46/78/00/1069467800.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306726019 1069467804 /nfs/dbraw/zinc/46/78/04/1069467804.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306726019 1069467809 /nfs/dbraw/zinc/46/78/09/1069467809.db2.gz JFAZMYGIAUQPJQ-WMTXJRDZSA-N 2 1 453.679 3.837 20 0 JHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671829 1069497888 /nfs/dbraw/zinc/49/78/88/1069497888.db2.gz GXCNFLSIRKJQDW-NJYVYQBISA-N 2 1 450.071 3.518 20 0 JHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671828 1069498031 /nfs/dbraw/zinc/49/80/31/1069498031.db2.gz GXCNFLSIRKJQDW-NJDAHSKKSA-N 2 1 450.071 3.518 20 0 JHADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC2)CC1 ZINC001311728240 1069524573 /nfs/dbraw/zinc/52/45/73/1069524573.db2.gz TWGUEABJFUETOP-UHFFFAOYSA-N 2 1 455.691 3.764 20 0 JHADMP CCN1CCC([N@H+]2CCCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC2)CC1 ZINC001311728240 1069524583 /nfs/dbraw/zinc/52/45/83/1069524583.db2.gz TWGUEABJFUETOP-UHFFFAOYSA-N 2 1 455.691 3.764 20 0 JHADMP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819244 1069559352 /nfs/dbraw/zinc/55/93/52/1069559352.db2.gz HSGLXZZLGMBGNM-NFBKMPQASA-N 2 1 453.606 3.554 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001306779691 1069575847 /nfs/dbraw/zinc/57/58/47/1069575847.db2.gz IMAKEMZMMPIDIF-RUZDIDTESA-N 2 1 481.733 3.562 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[NH+](CC)C2)C1 ZINC001306780012 1069576824 /nfs/dbraw/zinc/57/68/24/1069576824.db2.gz KRPLACYGFNBDBL-RBUKOAKNSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001306780012 1069576828 /nfs/dbraw/zinc/57/68/28/1069576828.db2.gz KRPLACYGFNBDBL-RBUKOAKNSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001306780012 1069576830 /nfs/dbraw/zinc/57/68/30/1069576830.db2.gz KRPLACYGFNBDBL-RBUKOAKNSA-N 2 1 492.510 3.556 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001311998604 1069659413 /nfs/dbraw/zinc/65/94/13/1069659413.db2.gz WOWXWXCYSSZGLP-VVZHRXSXSA-N 2 1 450.627 3.801 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001311998604 1069659416 /nfs/dbraw/zinc/65/94/16/1069659416.db2.gz WOWXWXCYSSZGLP-VVZHRXSXSA-N 2 1 450.627 3.801 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001307032099 1069743146 /nfs/dbraw/zinc/74/31/46/1069743146.db2.gz AIKNTFNWMQXWDX-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001307032099 1069743161 /nfs/dbraw/zinc/74/31/61/1069743161.db2.gz AIKNTFNWMQXWDX-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001307032099 1069743172 /nfs/dbraw/zinc/74/31/72/1069743172.db2.gz AIKNTFNWMQXWDX-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189346 1069747356 /nfs/dbraw/zinc/74/73/56/1069747356.db2.gz SHDJSIKSSADUMN-QFIPXVFZSA-N 2 1 454.663 3.781 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189346 1069747374 /nfs/dbraw/zinc/74/73/74/1069747374.db2.gz SHDJSIKSSADUMN-QFIPXVFZSA-N 2 1 454.663 3.781 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@@H](CC)C2)C1 ZINC001307035454 1069753836 /nfs/dbraw/zinc/75/38/36/1069753836.db2.gz UMTFGRTXJGXAOB-REWPJTCUSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)C1 ZINC001307035454 1069753846 /nfs/dbraw/zinc/75/38/46/1069753846.db2.gz UMTFGRTXJGXAOB-REWPJTCUSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)C1 ZINC001307035454 1069753855 /nfs/dbraw/zinc/75/38/55/1069753855.db2.gz UMTFGRTXJGXAOB-REWPJTCUSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CC[NH+](CCC)CC2)C1 ZINC001307046029 1069783785 /nfs/dbraw/zinc/78/37/85/1069783785.db2.gz QAJHVPKYUFRZMF-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001307046945 1069787180 /nfs/dbraw/zinc/78/71/80/1069787180.db2.gz UJNRYCAGVGWHJC-VXKWHMMOSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001307046945 1069787198 /nfs/dbraw/zinc/78/71/98/1069787198.db2.gz UJNRYCAGVGWHJC-VXKWHMMOSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001307046945 1069787215 /nfs/dbraw/zinc/78/72/15/1069787215.db2.gz UJNRYCAGVGWHJC-VXKWHMMOSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001307048155 1069793167 /nfs/dbraw/zinc/79/31/67/1069793167.db2.gz OTTUGRMPOPIUGH-QFIPXVFZSA-N 2 1 486.680 3.820 20 0 JHADMP CCOc1ccc(O[C@@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001314201232 1069795208 /nfs/dbraw/zinc/79/52/08/1069795208.db2.gz VOTIJDFJPXRHIN-QFIPXVFZSA-N 2 1 482.673 3.999 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC001307053169 1069811130 /nfs/dbraw/zinc/81/11/30/1069811130.db2.gz LJJUSXQLVUWKTM-QHCPKHFHSA-N 2 1 470.710 3.715 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053973 1069814686 /nfs/dbraw/zinc/81/46/86/1069814686.db2.gz JNTVOJVQRQPQJC-WXFUMESZSA-N 2 1 459.727 3.661 20 0 JHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001307511001 1070026140 /nfs/dbraw/zinc/02/61/40/1070026140.db2.gz UETDMHCCILRRQS-QFIPXVFZSA-N 2 1 458.474 3.861 20 0 JHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001307511001 1070026158 /nfs/dbraw/zinc/02/61/58/1070026158.db2.gz UETDMHCCILRRQS-QFIPXVFZSA-N 3 1 458.474 3.861 20 0 JHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001307511001 1070026168 /nfs/dbraw/zinc/02/61/68/1070026168.db2.gz UETDMHCCILRRQS-QFIPXVFZSA-N 3 1 458.474 3.861 20 0 JHADMP CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303530 1070089186 /nfs/dbraw/zinc/08/91/86/1070089186.db2.gz RYISJODFLKSGGE-LADGPHEKSA-N 2 1 454.663 3.790 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323431 1070108769 /nfs/dbraw/zinc/10/87/69/1070108769.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323431 1070108754 /nfs/dbraw/zinc/10/87/54/1070108754.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323431 1070108761 /nfs/dbraw/zinc/10/87/61/1070108761.db2.gz RUPZJVZINVPBLI-LEWJYISDSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314389875 1070242468 /nfs/dbraw/zinc/24/24/68/1070242468.db2.gz FCXBGLLRUVLZAX-WLXPTCNVSA-N 2 1 460.711 3.883 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314395799 1070254840 /nfs/dbraw/zinc/25/48/40/1070254840.db2.gz GYVFRGQCGRWWLM-OFNKIYASSA-N 2 1 468.671 3.890 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314396676 1070255700 /nfs/dbraw/zinc/25/57/00/1070255700.db2.gz MRCSSUDGCFJFOI-IBGZPJMESA-N 2 1 460.673 3.563 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccs3)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314396678 1070255799 /nfs/dbraw/zinc/25/57/99/1070255799.db2.gz MRCSSUDGCFJFOI-LJQANCHMSA-N 2 1 460.673 3.563 20 0 JHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313137681 1070265942 /nfs/dbraw/zinc/26/59/42/1070265942.db2.gz FDUMHYIKOADIOQ-DGWZTRNLSA-N 2 1 455.691 3.631 20 0 JHADMP CCOCC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC001307998065 1070274704 /nfs/dbraw/zinc/27/47/04/1070274704.db2.gz XUOJFBWVBSICDR-AREMUKBSSA-N 2 1 450.627 3.793 20 0 JHADMP CCOCC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC001307998065 1070274715 /nfs/dbraw/zinc/27/47/15/1070274715.db2.gz XUOJFBWVBSICDR-AREMUKBSSA-N 2 1 450.627 3.793 20 0 JHADMP CCOCC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCc2ccccc21 ZINC001307998066 1070275217 /nfs/dbraw/zinc/27/52/17/1070275217.db2.gz XUOJFBWVBSICDR-SANMLTNESA-N 2 1 450.627 3.793 20 0 JHADMP CCOCC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCc2ccccc21 ZINC001307998066 1070275231 /nfs/dbraw/zinc/27/52/31/1070275231.db2.gz XUOJFBWVBSICDR-SANMLTNESA-N 2 1 450.627 3.793 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313449383 1070374716 /nfs/dbraw/zinc/37/47/16/1070374716.db2.gz DYFUICNQUOTBHU-FQEVSTJZSA-N 2 1 460.617 3.942 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313449383 1070374734 /nfs/dbraw/zinc/37/47/34/1070374734.db2.gz DYFUICNQUOTBHU-FQEVSTJZSA-N 2 1 460.617 3.942 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313449383 1070374753 /nfs/dbraw/zinc/37/47/53/1070374753.db2.gz DYFUICNQUOTBHU-FQEVSTJZSA-N 2 1 460.617 3.942 20 0 JHADMP Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001308479076 1070380397 /nfs/dbraw/zinc/38/03/97/1070380397.db2.gz MLBVTEVGWXTXNL-LJQANCHMSA-N 2 1 456.458 3.916 20 0 JHADMP Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001308479076 1070380418 /nfs/dbraw/zinc/38/04/18/1070380418.db2.gz MLBVTEVGWXTXNL-LJQANCHMSA-N 2 1 456.458 3.916 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1CC ZINC001314496105 1070416161 /nfs/dbraw/zinc/41/61/61/1070416161.db2.gz NFRFFRZJYWHDTM-GJZUVCINSA-N 2 1 486.730 3.628 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314498965 1070426430 /nfs/dbraw/zinc/42/64/30/1070426430.db2.gz HURJGLOPHXJPQY-QHCPKHFHSA-N 2 1 482.717 3.846 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314498965 1070426436 /nfs/dbraw/zinc/42/64/36/1070426436.db2.gz HURJGLOPHXJPQY-QHCPKHFHSA-N 2 1 482.717 3.846 20 0 JHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877763 1070453187 /nfs/dbraw/zinc/45/31/87/1070453187.db2.gz VZVNGTYSFYIDBV-OAQYLSRUSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877763 1070453192 /nfs/dbraw/zinc/45/31/92/1070453192.db2.gz VZVNGTYSFYIDBV-OAQYLSRUSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877763 1070453197 /nfs/dbraw/zinc/45/31/97/1070453197.db2.gz VZVNGTYSFYIDBV-OAQYLSRUSA-N 2 1 456.591 3.712 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(NC(=O)OC(C)(C)C)nn3)C2)ccn1 ZINC001308877763 1070453200 /nfs/dbraw/zinc/45/32/00/1070453200.db2.gz VZVNGTYSFYIDBV-OAQYLSRUSA-N 2 1 456.591 3.712 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001313645756 1070803478 /nfs/dbraw/zinc/80/34/78/1070803478.db2.gz OMVNOUCQCXOKGF-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001313645756 1070803513 /nfs/dbraw/zinc/80/35/13/1070803513.db2.gz OMVNOUCQCXOKGF-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313645756 1070803545 /nfs/dbraw/zinc/80/35/45/1070803545.db2.gz OMVNOUCQCXOKGF-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313645756 1070803576 /nfs/dbraw/zinc/80/35/76/1070803576.db2.gz OMVNOUCQCXOKGF-QHCPKHFHSA-N 2 1 489.753 3.512 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313656809 1070852866 /nfs/dbraw/zinc/85/28/66/1070852866.db2.gz LVEXHXJMDVULBN-FGZHOGPDSA-N 2 1 479.673 3.689 20 0 JHADMP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001309571882 1070864917 /nfs/dbraw/zinc/86/49/17/1070864917.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 2 1 455.668 3.614 20 0 JHADMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC001309571882 1070864943 /nfs/dbraw/zinc/86/49/43/1070864943.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 2 1 455.668 3.614 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC001309571882 1070864969 /nfs/dbraw/zinc/86/49/69/1070864969.db2.gz TUNGSEVQNQXVHX-DMTNHVFBSA-N 2 1 455.668 3.614 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313665433 1070880052 /nfs/dbraw/zinc/88/00/52/1070880052.db2.gz DVMKBLNEYUYGRE-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313668684 1070892762 /nfs/dbraw/zinc/89/27/62/1070892762.db2.gz RTHHQPDIIKNNQR-BJKOFHAPSA-N 2 1 498.716 3.894 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313671042 1070898693 /nfs/dbraw/zinc/89/86/93/1070898693.db2.gz NLZWTQYSAKGDRT-DHIUTWEWSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676307 1070920305 /nfs/dbraw/zinc/92/03/05/1070920305.db2.gz VMVJSHGTRQFQHJ-QPTUXGOLSA-N 2 1 468.690 3.816 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001313702021 1070982719 /nfs/dbraw/zinc/98/27/19/1070982719.db2.gz FRIXQLJUYUDISL-ZJSXRUAMSA-N 2 1 454.663 3.940 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@@H]2CO)C1 ZINC001314748223 1070997072 /nfs/dbraw/zinc/99/70/72/1070997072.db2.gz BZONZLUCMXKEBV-DNQXCXABSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001314748223 1070997079 /nfs/dbraw/zinc/99/70/79/1070997079.db2.gz BZONZLUCMXKEBV-DNQXCXABSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001314748223 1070997087 /nfs/dbraw/zinc/99/70/87/1070997087.db2.gz BZONZLUCMXKEBV-DNQXCXABSA-N 2 1 468.690 3.523 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313710667 1071005045 /nfs/dbraw/zinc/00/50/45/1071005045.db2.gz BQLUZBBNNUAESC-XZOQPEGZSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313722415 1071026853 /nfs/dbraw/zinc/02/68/53/1071026853.db2.gz ZCEHTMOXNOAROT-VSKRKVRLSA-N 2 1 479.673 3.769 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313722415 1071026861 /nfs/dbraw/zinc/02/68/61/1071026861.db2.gz ZCEHTMOXNOAROT-VSKRKVRLSA-N 2 1 479.673 3.769 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CCC(CC)([NH+]4CCCCC4)CC3)cc2)CC1 ZINC001310224666 1071219585 /nfs/dbraw/zinc/21/95/85/1071219585.db2.gz PVFIYJZRJGSIHT-UHFFFAOYSA-N 2 1 455.647 3.727 20 0 JHADMP CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001313808653 1071233484 /nfs/dbraw/zinc/23/34/84/1071233484.db2.gz IYFSEGWHOWQAFN-UHFFFAOYSA-N 2 1 463.070 3.876 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001313808653 1071233490 /nfs/dbraw/zinc/23/34/90/1071233490.db2.gz IYFSEGWHOWQAFN-UHFFFAOYSA-N 2 1 463.070 3.876 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001313808653 1071233499 /nfs/dbraw/zinc/23/34/99/1071233499.db2.gz IYFSEGWHOWQAFN-UHFFFAOYSA-N 2 1 463.070 3.876 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001313808653 1071233504 /nfs/dbraw/zinc/23/35/04/1071233504.db2.gz IYFSEGWHOWQAFN-UHFFFAOYSA-N 2 1 463.070 3.876 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810155 1071240459 /nfs/dbraw/zinc/24/04/59/1071240459.db2.gz LNRBBCAVRKNXBV-IBGZPJMESA-N 2 1 467.584 3.623 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](C)CC1)C(C)C ZINC001313820445 1071278008 /nfs/dbraw/zinc/27/80/08/1071278008.db2.gz VZROYKSFFQFWCG-RUZDIDTESA-N 2 1 481.733 4.000 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871373 1071283418 /nfs/dbraw/zinc/28/34/18/1071283418.db2.gz ATKZKPOJFGRSBH-UHFFFAOYSA-N 2 1 460.711 3.680 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001314871373 1071283426 /nfs/dbraw/zinc/28/34/26/1071283426.db2.gz ATKZKPOJFGRSBH-UHFFFAOYSA-N 2 1 460.711 3.680 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314871373 1071283431 /nfs/dbraw/zinc/28/34/31/1071283431.db2.gz ATKZKPOJFGRSBH-UHFFFAOYSA-N 2 1 460.711 3.680 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314871373 1071283439 /nfs/dbraw/zinc/28/34/39/1071283439.db2.gz ATKZKPOJFGRSBH-UHFFFAOYSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860448 1071369758 /nfs/dbraw/zinc/36/97/58/1071369758.db2.gz KZOGXBKBQQOQIF-JAXLGGSGSA-N 2 1 472.678 3.858 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385555 /nfs/dbraw/zinc/38/55/55/1071385555.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385571 /nfs/dbraw/zinc/38/55/71/1071385571.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864059 1071385582 /nfs/dbraw/zinc/38/55/82/1071385582.db2.gz FULNRCGOQFYXBP-VQTJNVASSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1Cl ZINC001310447586 1071396398 /nfs/dbraw/zinc/39/63/98/1071396398.db2.gz UYMJVTPANMBRFY-QGZVFWFLSA-N 2 1 452.043 3.654 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868506 1071404361 /nfs/dbraw/zinc/40/43/61/1071404361.db2.gz NWHONMXFJQGGRO-DHIUTWEWSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410084 /nfs/dbraw/zinc/41/00/84/1071410084.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410091 /nfs/dbraw/zinc/41/00/91/1071410091.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313869739 1071410096 /nfs/dbraw/zinc/41/00/96/1071410096.db2.gz QMHYSPYLSAGYKJ-JTAQYXEDSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313868851 1071406687 /nfs/dbraw/zinc/40/66/87/1071406687.db2.gz BNEQVFSGMDGOSQ-MZLICYQSSA-N 2 1 465.621 3.625 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313869702 1071409357 /nfs/dbraw/zinc/40/93/57/1071409357.db2.gz QLJKXOZLGWTBMK-IPJJNNNSSA-N 2 1 482.629 3.777 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@@H]1CCCCO1 ZINC001310489568 1071427667 /nfs/dbraw/zinc/42/76/67/1071427667.db2.gz IGFCSVBFZWNRGD-ISJGIBHGSA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428543 /nfs/dbraw/zinc/42/85/43/1071428543.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428551 /nfs/dbraw/zinc/42/85/51/1071428551.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313874842 1071428555 /nfs/dbraw/zinc/42/85/55/1071428555.db2.gz OFRNEIQPUDGUOO-ZLNRFVROSA-N 2 1 461.658 3.703 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313874414 1071428805 /nfs/dbraw/zinc/42/88/05/1071428805.db2.gz NVGCSYNDNLJVIX-QZTJIDSGSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313874414 1071428811 /nfs/dbraw/zinc/42/88/11/1071428811.db2.gz NVGCSYNDNLJVIX-QZTJIDSGSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878929 1071447018 /nfs/dbraw/zinc/44/70/18/1071447018.db2.gz WITVUJXYGZWPCK-DNQXCXABSA-N 2 1 498.716 3.628 20 0 JHADMP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001313885496 1071467305 /nfs/dbraw/zinc/46/73/05/1071467305.db2.gz CPVVPCCYNLJRQP-HXUWFJFHSA-N 2 1 475.081 3.735 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001313885496 1071467308 /nfs/dbraw/zinc/46/73/08/1071467308.db2.gz CPVVPCCYNLJRQP-HXUWFJFHSA-N 2 1 475.081 3.735 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313887335 1071473150 /nfs/dbraw/zinc/47/31/50/1071473150.db2.gz UWGJUPFUNPSCPX-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313887335 1071473156 /nfs/dbraw/zinc/47/31/56/1071473156.db2.gz UWGJUPFUNPSCPX-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313887335 1071473165 /nfs/dbraw/zinc/47/31/65/1071473165.db2.gz UWGJUPFUNPSCPX-IBGZPJMESA-N 2 1 475.479 3.970 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313894615 1071493355 /nfs/dbraw/zinc/49/33/55/1071493355.db2.gz JDARQKXQYICTCV-NRFANRHFSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313894615 1071493363 /nfs/dbraw/zinc/49/33/63/1071493363.db2.gz JDARQKXQYICTCV-NRFANRHFSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313894615 1071493371 /nfs/dbraw/zinc/49/33/71/1071493371.db2.gz JDARQKXQYICTCV-NRFANRHFSA-N 2 1 459.708 3.532 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313943468 1071622622 /nfs/dbraw/zinc/62/26/22/1071622622.db2.gz RYNDPMHUHANYJC-QFIPXVFZSA-N 2 1 465.646 3.990 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313943468 1071622624 /nfs/dbraw/zinc/62/26/24/1071622624.db2.gz RYNDPMHUHANYJC-QFIPXVFZSA-N 2 1 465.646 3.990 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313946874 1071630393 /nfs/dbraw/zinc/63/03/93/1071630393.db2.gz DQHAPBLQHZYMNZ-FSSWDIPSSA-N 2 1 489.709 3.612 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947196 1071630871 /nfs/dbraw/zinc/63/08/71/1071630871.db2.gz GJJQTWFSWNRZGM-UXHICEINSA-N 2 1 484.670 3.761 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947452 1071632365 /nfs/dbraw/zinc/63/23/65/1071632365.db2.gz HHLJVECSHAMBPP-SQJMNOBHSA-N 2 1 484.689 3.907 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313948591 1071634174 /nfs/dbraw/zinc/63/41/74/1071634174.db2.gz LRICYCNZMBNJSA-LJQANCHMSA-N 2 1 458.676 3.594 20 0 JHADMP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313955150 1071654914 /nfs/dbraw/zinc/65/49/14/1071654914.db2.gz XZISSGNCIGHOBV-JWQCQUIFSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313955150 1071654919 /nfs/dbraw/zinc/65/49/19/1071654919.db2.gz XZISSGNCIGHOBV-JWQCQUIFSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313955150 1071654925 /nfs/dbraw/zinc/65/49/25/1071654925.db2.gz XZISSGNCIGHOBV-JWQCQUIFSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313959087 1071665714 /nfs/dbraw/zinc/66/57/14/1071665714.db2.gz ZFZDVKQAZVPFDY-RUZDIDTESA-N 2 1 495.760 3.648 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127925 1072038632 /nfs/dbraw/zinc/03/86/32/1072038632.db2.gz ZDXPYNAAUAAPCT-OFVILXPXSA-N 2 1 490.718 3.605 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127924 1072038869 /nfs/dbraw/zinc/03/88/69/1072038869.db2.gz ZDXPYNAAUAAPCT-BWKNWUBXSA-N 2 1 490.718 3.605 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306319823 1068746073 /nfs/dbraw/zinc/74/60/73/1068746073.db2.gz NMYNTAJWPLPOLP-FCHUYYIVSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCC[C@@H]2CC)CC[N@@H+]1CCOC ZINC001306319823 1068746076 /nfs/dbraw/zinc/74/60/76/1068746076.db2.gz NMYNTAJWPLPOLP-FCHUYYIVSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCCC[C@@H]2CC)CC[N@H+]1CCOC ZINC001306319823 1068746080 /nfs/dbraw/zinc/74/60/80/1068746080.db2.gz NMYNTAJWPLPOLP-FCHUYYIVSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306402489 1068864256 /nfs/dbraw/zinc/86/42/56/1068864256.db2.gz BAGSXNCGRXDYHZ-GOTSBHOMSA-N 2 1 484.620 3.836 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306413068 1068899563 /nfs/dbraw/zinc/89/95/63/1068899563.db2.gz YAXVWVOAOLOFEX-NRFANRHFSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306413068 1068899574 /nfs/dbraw/zinc/89/95/74/1068899574.db2.gz YAXVWVOAOLOFEX-NRFANRHFSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306413068 1068899583 /nfs/dbraw/zinc/89/95/83/1068899583.db2.gz YAXVWVOAOLOFEX-NRFANRHFSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306447696 1068962267 /nfs/dbraw/zinc/96/22/67/1068962267.db2.gz VNDKURVCJZDNGV-AOHZBQACSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306447696 1068962276 /nfs/dbraw/zinc/96/22/76/1068962276.db2.gz VNDKURVCJZDNGV-AOHZBQACSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306447696 1068962286 /nfs/dbraw/zinc/96/22/86/1068962286.db2.gz VNDKURVCJZDNGV-AOHZBQACSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cnc(Oc2ccccc2)nc1 ZINC001311051843 1069259424 /nfs/dbraw/zinc/25/94/24/1069259424.db2.gz FQRBZPAGWNNLHW-UHFFFAOYSA-N 2 1 452.603 3.929 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCOC ZINC001306615132 1069295400 /nfs/dbraw/zinc/29/54/00/1069295400.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615132 1069295409 /nfs/dbraw/zinc/29/54/09/1069295409.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615132 1069295417 /nfs/dbraw/zinc/29/54/17/1069295417.db2.gz DRBLRKHFTYUIJO-CLJLJLNGSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1CCOC ZINC001306619700 1069304440 /nfs/dbraw/zinc/30/44/40/1069304440.db2.gz ZOWQMPRMYTWEHV-RUZDIDTESA-N 2 1 454.663 3.558 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164415082 718880862 /nfs/dbraw/zinc/88/08/62/718880862.db2.gz ZYEAWJQHBDOACR-YLJYHZDGSA-N 2 1 497.606 3.534 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164415082 718880864 /nfs/dbraw/zinc/88/08/64/718880864.db2.gz ZYEAWJQHBDOACR-YLJYHZDGSA-N 2 1 497.606 3.534 20 0 JHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620774 719008001 /nfs/dbraw/zinc/00/80/01/719008001.db2.gz ZLVZTPBWAMEGML-SVEHJYQDSA-N 2 1 474.649 3.789 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687869 719687172 /nfs/dbraw/zinc/68/71/72/719687172.db2.gz WLUMYNXKFAJNAO-VWLOTQADSA-N 2 1 493.700 3.880 20 0 JHADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164733008 720524434 /nfs/dbraw/zinc/52/44/34/720524434.db2.gz IFJYUVRXEDLEJN-IBGZPJMESA-N 2 1 479.698 3.951 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164751866 720832635 /nfs/dbraw/zinc/83/26/35/720832635.db2.gz ZKPMNSQUOZBKRQ-UMXIMWEHSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751866 720832637 /nfs/dbraw/zinc/83/26/37/720832637.db2.gz ZKPMNSQUOZBKRQ-UMXIMWEHSA-N 2 1 486.599 3.590 20 0 JHADMP Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164755001 720905512 /nfs/dbraw/zinc/90/55/12/720905512.db2.gz XSXLKROCEWDVAR-QFQXNSOFSA-N 2 1 468.045 3.531 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747075 720937019 /nfs/dbraw/zinc/93/70/19/720937019.db2.gz BWCFITFRPWFGPG-UHSQPCAPSA-N 2 1 491.680 3.610 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071558 /nfs/dbraw/zinc/07/15/58/721071558.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071564 /nfs/dbraw/zinc/07/15/64/721071564.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869450 721071569 /nfs/dbraw/zinc/07/15/69/721071569.db2.gz STYOVJIPQXFJDU-CLJLJLNGSA-N 2 1 455.606 3.515 20 0 JHADMP FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908707 721718538 /nfs/dbraw/zinc/71/85/38/721718538.db2.gz YSHFTWKJGNFTCY-DEOSSOPVSA-N 2 1 457.569 3.689 20 0 JHADMP FC1(F)CCN(c2cccc(OCC[NH+]3CCCC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908710 721718666 /nfs/dbraw/zinc/71/86/66/721718666.db2.gz YSHFTWKJGNFTCY-XMMPIXPASA-N 2 1 457.569 3.689 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979849 722124442 /nfs/dbraw/zinc/12/44/42/722124442.db2.gz QMEACMGEJUHGJZ-RDGATRHJSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979849 722124445 /nfs/dbraw/zinc/12/44/45/722124445.db2.gz QMEACMGEJUHGJZ-RDGATRHJSA-N 2 1 472.568 3.741 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357594 1069340775 /nfs/dbraw/zinc/34/07/75/1069340775.db2.gz JVENAXOZTSLWSS-ATIYNZHBSA-N 2 1 451.659 3.623 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CC[NH+](C(C)(C)CC(C)(C)C)CC3)cc2)CC1 ZINC001311359514 1069343497 /nfs/dbraw/zinc/34/34/97/1069343497.db2.gz ZHAJJCBYBMEUDM-UHFFFAOYSA-N 2 1 457.707 3.866 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379582 1069353015 /nfs/dbraw/zinc/35/30/15/1069353015.db2.gz DGGRXBRHOZORLW-BJKOFHAPSA-N 2 1 455.691 3.849 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC001306652772 1069363969 /nfs/dbraw/zinc/36/39/69/1069363969.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001306652772 1069363984 /nfs/dbraw/zinc/36/39/84/1069363984.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC001306652772 1069363995 /nfs/dbraw/zinc/36/39/95/1069363995.db2.gz YDYXMXZCUIOMCQ-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001311440198 1069380959 /nfs/dbraw/zinc/38/09/59/1069380959.db2.gz CGQWZTKFBZXVNB-UIOOFZCWSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001311440198 1069380969 /nfs/dbraw/zinc/38/09/69/1069380969.db2.gz CGQWZTKFBZXVNB-UIOOFZCWSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001311440198 1069380978 /nfs/dbraw/zinc/38/09/78/1069380978.db2.gz CGQWZTKFBZXVNB-UIOOFZCWSA-N 2 1 458.691 3.718 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306682980 1069415349 /nfs/dbraw/zinc/41/53/49/1069415349.db2.gz RYOOTZJTYAGWCE-UHFFFAOYSA-N 2 1 479.044 3.771 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306686496 1069423284 /nfs/dbraw/zinc/42/32/84/1069423284.db2.gz DCNPSJSFSWKYDV-XZOQPEGZSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306686496 1069423289 /nfs/dbraw/zinc/42/32/89/1069423289.db2.gz DCNPSJSFSWKYDV-XZOQPEGZSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001306686496 1069423293 /nfs/dbraw/zinc/42/32/93/1069423293.db2.gz DCNPSJSFSWKYDV-XZOQPEGZSA-N 2 1 454.663 3.879 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001311573220 1069444550 /nfs/dbraw/zinc/44/45/50/1069444550.db2.gz USRNLCJFZFQGKN-OFNKIYASSA-N 2 1 455.672 3.561 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001306722729 1069461683 /nfs/dbraw/zinc/46/16/83/1069461683.db2.gz NDPSLMZCGVFSSS-WXFUMESZSA-N 2 1 460.711 3.995 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001311757946 1069534853 /nfs/dbraw/zinc/53/48/53/1069534853.db2.gz DYDLPHYMKKHWFB-RUZDIDTESA-N 2 1 450.627 3.729 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786992 1069590624 /nfs/dbraw/zinc/59/06/24/1069590624.db2.gz ZFFYQYJQEWMGGB-ILBGXUMGSA-N 2 1 468.690 3.778 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306802184 1069607975 /nfs/dbraw/zinc/60/79/75/1069607975.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306802184 1069607979 /nfs/dbraw/zinc/60/79/79/1069607979.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306802184 1069607989 /nfs/dbraw/zinc/60/79/89/1069607989.db2.gz HLRUBENIYAKCBJ-DLBZAZTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804653 1069614325 /nfs/dbraw/zinc/61/43/25/1069614325.db2.gz PMHKTEKYMZBXGL-ZDXQCDESSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804653 1069614332 /nfs/dbraw/zinc/61/43/32/1069614332.db2.gz PMHKTEKYMZBXGL-ZDXQCDESSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001306804653 1069614342 /nfs/dbraw/zinc/61/43/42/1069614342.db2.gz PMHKTEKYMZBXGL-ZDXQCDESSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306808454 1069624854 /nfs/dbraw/zinc/62/48/54/1069624854.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306808454 1069624859 /nfs/dbraw/zinc/62/48/59/1069624859.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306808454 1069624866 /nfs/dbraw/zinc/62/48/66/1069624866.db2.gz MDWIKRFYRBTZRM-MYGLTJDJSA-N 2 1 491.725 3.700 20 0 JHADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997580 1069658959 /nfs/dbraw/zinc/65/89/59/1069658959.db2.gz YUSHHDMSFQTPLZ-HSZRJFAPSA-N 2 1 455.691 3.852 20 0 JHADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC3([NH2+][C@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997580 1069658964 /nfs/dbraw/zinc/65/89/64/1069658964.db2.gz YUSHHDMSFQTPLZ-HSZRJFAPSA-N 2 1 455.691 3.852 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001307047918 1069792039 /nfs/dbraw/zinc/79/20/39/1069792039.db2.gz FINRJGOEXHRPER-UHFFFAOYSA-N 2 1 453.610 3.914 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001307048366 1069794013 /nfs/dbraw/zinc/79/40/13/1069794013.db2.gz RQVDRTWCUWPDTB-YADHBBJMSA-N 2 1 453.679 3.695 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232799 1069796629 /nfs/dbraw/zinc/79/66/29/1069796629.db2.gz ZTEBAWIPYQARLU-AEFFLSMTSA-N 2 1 457.432 3.577 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001307052622 1069807976 /nfs/dbraw/zinc/80/79/76/1069807976.db2.gz ANJKQZCXTQAKLR-QFIPXVFZSA-N 2 1 454.663 3.818 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001307053168 1069810741 /nfs/dbraw/zinc/81/07/41/1069810741.db2.gz LJJUSXQLVUWKTM-HSZRJFAPSA-N 2 1 470.710 3.715 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001307056726 1069829693 /nfs/dbraw/zinc/82/96/93/1069829693.db2.gz FMBWFKXFQWBPJW-PKTZIBPZSA-N 2 1 460.711 3.680 20 0 JHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312498406 1069974676 /nfs/dbraw/zinc/97/46/76/1069974676.db2.gz CKRQDZNPJCVNIM-SANMLTNESA-N 2 1 450.627 3.584 20 0 JHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@]3(C)CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615548 1070045898 /nfs/dbraw/zinc/04/58/98/1070045898.db2.gz OIFCDPAQVWVVSU-MHZLTWQESA-N 2 1 450.627 3.825 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)NC[C@]3(C)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615548 1070045918 /nfs/dbraw/zinc/04/59/18/1070045918.db2.gz OIFCDPAQVWVVSU-MHZLTWQESA-N 2 1 450.627 3.825 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)NC[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615548 1070045937 /nfs/dbraw/zinc/04/59/37/1070045937.db2.gz OIFCDPAQVWVVSU-MHZLTWQESA-N 2 1 450.627 3.825 20 0 JHADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001307657052 1070106386 /nfs/dbraw/zinc/10/63/86/1070106386.db2.gz GRWIXLXPCMBOGY-NJYVYQBISA-N 2 1 453.627 3.936 20 0 JHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312801729 1070130730 /nfs/dbraw/zinc/13/07/30/1070130730.db2.gz ANULDHVVGPYXEO-FQEVSTJZSA-N 2 1 450.071 3.756 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001312885019 1070167293 /nfs/dbraw/zinc/16/72/93/1070167293.db2.gz IMUZYKOOBCVCAE-IFMALSPDSA-N 2 1 470.580 3.582 20 0 JHADMP CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001314377180 1070218197 /nfs/dbraw/zinc/21/81/97/1070218197.db2.gz BPXDECXRBSQPFO-QHCPKHFHSA-N 2 1 458.626 3.711 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001312993458 1070215518 /nfs/dbraw/zinc/21/55/18/1070215518.db2.gz BAELGVBFHKNYNP-AZUAARDMSA-N 2 1 453.469 3.828 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1Cc1ccccc1Br ZINC001312993458 1070215528 /nfs/dbraw/zinc/21/55/28/1070215528.db2.gz BAELGVBFHKNYNP-AZUAARDMSA-N 2 1 453.469 3.828 20 0 JHADMP CCOCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314376213 1070216181 /nfs/dbraw/zinc/21/61/81/1070216181.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 2 1 468.690 3.962 20 0 JHADMP CCOCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314376213 1070216195 /nfs/dbraw/zinc/21/61/95/1070216195.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 2 1 468.690 3.962 20 0 JHADMP CCOCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314376213 1070216210 /nfs/dbraw/zinc/21/62/10/1070216210.db2.gz LZOVMKRSICHMAT-UHFFFAOYSA-N 2 1 468.690 3.962 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314399868 1070260790 /nfs/dbraw/zinc/26/07/90/1070260790.db2.gz HGFKPGTXTCFGGA-DHIUTWEWSA-N 2 1 454.663 3.566 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492922 1070405978 /nfs/dbraw/zinc/40/59/78/1070405978.db2.gz BZORYYLUWOAXPO-DHLKQENFSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492922 1070405984 /nfs/dbraw/zinc/40/59/84/1070405984.db2.gz BZORYYLUWOAXPO-DHLKQENFSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492922 1070405985 /nfs/dbraw/zinc/40/59/85/1070405985.db2.gz BZORYYLUWOAXPO-DHLKQENFSA-N 2 1 468.690 3.785 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(N3CCC(C[NH+]4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313574649 1070689790 /nfs/dbraw/zinc/68/97/90/1070689790.db2.gz KSURXWXUZYSDDO-UHFFFAOYSA-N 2 1 468.690 3.624 20 0 JHADMP CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495550 1070810084 /nfs/dbraw/zinc/81/00/84/1070810084.db2.gz OSSFBGOFWSVVLF-CCDWMCETSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495550 1070810110 /nfs/dbraw/zinc/81/01/10/1070810110.db2.gz OSSFBGOFWSVVLF-CCDWMCETSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495550 1070810147 /nfs/dbraw/zinc/81/01/47/1070810147.db2.gz OSSFBGOFWSVVLF-CCDWMCETSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@H]1C[NH+](CC)CCN1S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495550 1070810180 /nfs/dbraw/zinc/81/01/80/1070810180.db2.gz OSSFBGOFWSVVLF-CCDWMCETSA-N 2 1 459.631 3.540 20 0 JHADMP CN(c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314692414 1070852997 /nfs/dbraw/zinc/85/29/97/1070852997.db2.gz BUIGPHAAUNCAFW-QHCPKHFHSA-N 2 1 468.690 3.688 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313663396 1070871894 /nfs/dbraw/zinc/87/18/94/1070871894.db2.gz HWDOXIAQSJBVEX-RDGATRHJSA-N 2 1 484.689 3.889 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC001313664558 1070877395 /nfs/dbraw/zinc/87/73/95/1070877395.db2.gz MLLBLKIMZNIAHN-DNQXCXABSA-N 2 1 454.663 3.786 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313667526 1070889363 /nfs/dbraw/zinc/88/93/63/1070889363.db2.gz LHKYHPLUGGMAEM-OAQYLSRUSA-N 2 1 472.678 3.907 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313672341 1070903449 /nfs/dbraw/zinc/90/34/49/1070903449.db2.gz VQYJOESTZYXFPQ-FDFHNCONSA-N 2 1 488.746 3.986 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001313691782 1070951934 /nfs/dbraw/zinc/95/19/34/1070951934.db2.gz XALAJMVSMNLPOP-WCYRKSIYSA-N 2 1 490.737 3.750 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001313691780 1070952035 /nfs/dbraw/zinc/95/20/35/1070952035.db2.gz XALAJMVSMNLPOP-NOTUOJBMSA-N 2 1 490.737 3.750 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001313691781 1070952056 /nfs/dbraw/zinc/95/20/56/1070952056.db2.gz XALAJMVSMNLPOP-OBTVHEKISA-N 2 1 490.737 3.750 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001313694973 1070958852 /nfs/dbraw/zinc/95/88/52/1070958852.db2.gz YVZLKMHQNQOVCR-DEOSSOPVSA-N 2 1 467.706 3.943 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCn2cc[nH+]c2C)CC1 ZINC001313698347 1070970230 /nfs/dbraw/zinc/97/02/30/1070970230.db2.gz YOLRLQLMLQEISI-UHFFFAOYSA-N 2 1 475.439 3.551 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001313702020 1070982777 /nfs/dbraw/zinc/98/27/77/1070982777.db2.gz FRIXQLJUYUDISL-XUZZJYLKSA-N 2 1 454.663 3.940 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)C1 ZINC001314748224 1070996868 /nfs/dbraw/zinc/99/68/68/1070996868.db2.gz BZONZLUCMXKEBV-RPWUZVMVSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001314748224 1070996877 /nfs/dbraw/zinc/99/68/77/1070996877.db2.gz BZONZLUCMXKEBV-RPWUZVMVSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001314748224 1070996887 /nfs/dbraw/zinc/99/68/87/1070996887.db2.gz BZONZLUCMXKEBV-RPWUZVMVSA-N 2 1 468.690 3.523 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313721345 1071023999 /nfs/dbraw/zinc/02/39/99/1071023999.db2.gz KIKSHIUGMWCWLW-IAGOWNOFSA-N 2 1 499.523 3.656 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313727336 1071036659 /nfs/dbraw/zinc/03/66/59/1071036659.db2.gz POXBRONLANBFBK-DHIUTWEWSA-N 2 1 454.663 3.879 20 0 JHADMP CC[N@H+](CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC)CC1)C(C)C ZINC001313806676 1071225158 /nfs/dbraw/zinc/22/51/58/1071225158.db2.gz XEVUGLSUVXRVPT-UHFFFAOYSA-N 2 1 493.494 3.515 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[NH+](CCOC)CC1)C(C)C ZINC001313806676 1071225166 /nfs/dbraw/zinc/22/51/66/1071225166.db2.gz XEVUGLSUVXRVPT-UHFFFAOYSA-N 2 1 493.494 3.515 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313811941 1071248643 /nfs/dbraw/zinc/24/86/43/1071248643.db2.gz MVMRQEVCTZFICA-NRFANRHFSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313812226 1071249420 /nfs/dbraw/zinc/24/94/20/1071249420.db2.gz SZDLVKJUHQJQNQ-UHFFFAOYSA-N 2 1 493.494 3.977 20 0 JHADMP CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC001313813902 1071256047 /nfs/dbraw/zinc/25/60/47/1071256047.db2.gz HHSQSLZMPMJXNW-RTWAWAEBSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC001313813902 1071256063 /nfs/dbraw/zinc/25/60/63/1071256063.db2.gz HHSQSLZMPMJXNW-RTWAWAEBSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860922 1071372089 /nfs/dbraw/zinc/37/20/89/1071372089.db2.gz NFKVCRCDUFAQGQ-WWMYMODYSA-N 2 1 475.479 3.967 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001313862721 1071378328 /nfs/dbraw/zinc/37/83/28/1071378328.db2.gz QQPVXWQDBDAJKX-UFYCRDLUSA-N 2 1 476.666 3.525 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001313867069 1071397193 /nfs/dbraw/zinc/39/71/93/1071397193.db2.gz JFWKFDPDHWOKJI-BJKOFHAPSA-N 2 1 481.733 3.998 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868286 1071404346 /nfs/dbraw/zinc/40/43/46/1071404346.db2.gz NJBSCPSEGAZTHK-NJYVYQBISA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873622 1071425428 /nfs/dbraw/zinc/42/54/28/1071425428.db2.gz MOUCJIBBNPLHOL-PMACEKPBSA-N 2 1 472.703 3.700 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313877309 1071440878 /nfs/dbraw/zinc/44/08/78/1071440878.db2.gz WMTQBAWTGUAICN-ODAXIHTASA-N 2 1 455.695 3.961 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313885614 1071467158 /nfs/dbraw/zinc/46/71/58/1071467158.db2.gz FEUSFMGXOIFBOZ-SFHVURJKSA-N 2 1 461.054 3.869 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313889328 1071479914 /nfs/dbraw/zinc/47/99/14/1071479914.db2.gz XPCGFFYSWXVYIN-RBUKOAKNSA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313889328 1071479919 /nfs/dbraw/zinc/47/99/19/1071479919.db2.gz XPCGFFYSWXVYIN-RBUKOAKNSA-N 2 1 469.659 3.703 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513269 /nfs/dbraw/zinc/51/32/69/1071513269.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513273 /nfs/dbraw/zinc/51/32/73/1071513273.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513285 /nfs/dbraw/zinc/51/32/85/1071513285.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902326 1071513298 /nfs/dbraw/zinc/51/32/98/1071513298.db2.gz FYLWVUZQIBFOIW-VXNXHJTFSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313904203 1071517453 /nfs/dbraw/zinc/51/74/53/1071517453.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 2 1 484.689 3.505 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313904203 1071517462 /nfs/dbraw/zinc/51/74/62/1071517462.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 2 1 484.689 3.505 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313904203 1071517487 /nfs/dbraw/zinc/51/74/87/1071517487.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 2 1 484.689 3.505 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313904203 1071517509 /nfs/dbraw/zinc/51/75/09/1071517509.db2.gz QHDNKGJUUAUHBU-HSZRJFAPSA-N 2 1 484.689 3.505 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313907826 1071528588 /nfs/dbraw/zinc/52/85/88/1071528588.db2.gz BXLOXFGINSQVQV-QHCPKHFHSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313907826 1071528599 /nfs/dbraw/zinc/52/85/99/1071528599.db2.gz BXLOXFGINSQVQV-QHCPKHFHSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313907826 1071528612 /nfs/dbraw/zinc/52/86/12/1071528612.db2.gz BXLOXFGINSQVQV-QHCPKHFHSA-N 2 1 460.711 3.680 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313925386 1071574082 /nfs/dbraw/zinc/57/40/82/1071574082.db2.gz PHRUQGFHDBHPOT-ZCNNSNEGSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313925386 1071574084 /nfs/dbraw/zinc/57/40/84/1071574084.db2.gz PHRUQGFHDBHPOT-ZCNNSNEGSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313925386 1071574093 /nfs/dbraw/zinc/57/40/93/1071574093.db2.gz PHRUQGFHDBHPOT-ZCNNSNEGSA-N 2 1 492.087 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928384 1071583824 /nfs/dbraw/zinc/58/38/24/1071583824.db2.gz BNTSAHQPHIWFRM-VWNXMTODSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607360 /nfs/dbraw/zinc/60/73/60/1071607360.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607364 /nfs/dbraw/zinc/60/73/64/1071607364.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313935803 1071607367 /nfs/dbraw/zinc/60/73/67/1071607367.db2.gz YXSXWRLIELPQHI-SJORKVTESA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615439 /nfs/dbraw/zinc/61/54/39/1071615439.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615445 /nfs/dbraw/zinc/61/54/45/1071615445.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940856 1071615452 /nfs/dbraw/zinc/61/54/52/1071615452.db2.gz PNKOBHAVHHKWJG-PZJWPPBQSA-N 2 1 459.708 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313940575 1071615685 /nfs/dbraw/zinc/61/56/85/1071615685.db2.gz OAQRBDSMGVXNIJ-HXUWFJFHSA-N 2 1 459.708 3.820 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001313942773 1071621451 /nfs/dbraw/zinc/62/14/51/1071621451.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001313942773 1071621453 /nfs/dbraw/zinc/62/14/53/1071621453.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001313942773 1071621456 /nfs/dbraw/zinc/62/14/56/1071621456.db2.gz NOPWSVQCNFAUFM-LADGPHEKSA-N 2 1 498.716 3.532 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313953061 1071647752 /nfs/dbraw/zinc/64/77/52/1071647752.db2.gz FWASJFGOABNSCL-ZEQRLZLVSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313953061 1071647758 /nfs/dbraw/zinc/64/77/58/1071647758.db2.gz FWASJFGOABNSCL-ZEQRLZLVSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313953061 1071647764 /nfs/dbraw/zinc/64/77/64/1071647764.db2.gz FWASJFGOABNSCL-ZEQRLZLVSA-N 2 1 467.706 3.590 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314125138 1072031567 /nfs/dbraw/zinc/03/15/67/1072031567.db2.gz OHDVIKGAZXKWPT-HHHXNRCGSA-N 2 1 490.737 3.895 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314125138 1072031573 /nfs/dbraw/zinc/03/15/73/1072031573.db2.gz OHDVIKGAZXKWPT-HHHXNRCGSA-N 2 1 490.737 3.895 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314125138 1072031581 /nfs/dbraw/zinc/03/15/81/1072031581.db2.gz OHDVIKGAZXKWPT-HHHXNRCGSA-N 2 1 490.737 3.895 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314127102 1072037186 /nfs/dbraw/zinc/03/71/86/1072037186.db2.gz UZVPLJDIBWGDKD-CUNXSJBXSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001314127102 1072037200 /nfs/dbraw/zinc/03/72/00/1072037200.db2.gz UZVPLJDIBWGDKD-CUNXSJBXSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001314127102 1072037207 /nfs/dbraw/zinc/03/72/07/1072037207.db2.gz UZVPLJDIBWGDKD-CUNXSJBXSA-N 2 1 490.737 3.751 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C[NH+](C)C ZINC001305986462 1068337573 /nfs/dbraw/zinc/33/75/73/1068337573.db2.gz OFLCNBUTRJMFFR-QFIPXVFZSA-N 2 1 498.716 3.697 20 0 JHADMP CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306091563 1068515055 /nfs/dbraw/zinc/51/50/55/1068515055.db2.gz ZDHUEFMMFXZPFT-PSWAGMNNSA-N 2 1 481.733 3.855 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001306195466 1068587252 /nfs/dbraw/zinc/58/72/52/1068587252.db2.gz QEGVDMJAZKNJAG-OAQYLSRUSA-N 2 1 484.689 3.622 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306319349 1068744726 /nfs/dbraw/zinc/74/47/26/1068744726.db2.gz KMUPEDULDNFCMU-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1CCOC ZINC001306387365 1068822272 /nfs/dbraw/zinc/82/22/72/1068822272.db2.gz PPLWXZGIKFKLNF-XMMPIXPASA-N 2 1 454.663 3.593 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[NH+](CC(C)C)C2)CC[N@H+]1CCOC ZINC001306406529 1068876987 /nfs/dbraw/zinc/87/69/87/1068876987.db2.gz YZEURNCDEOYRIT-XZOQPEGZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406529 1068876995 /nfs/dbraw/zinc/87/69/95/1068876995.db2.gz YZEURNCDEOYRIT-XZOQPEGZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406529 1068877003 /nfs/dbraw/zinc/87/70/03/1068877003.db2.gz YZEURNCDEOYRIT-XZOQPEGZSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306424905 1068919086 /nfs/dbraw/zinc/91/90/86/1068919086.db2.gz HIMXUAHTVVJMNZ-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306424905 1068919095 /nfs/dbraw/zinc/91/90/95/1068919095.db2.gz HIMXUAHTVVJMNZ-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306424905 1068919104 /nfs/dbraw/zinc/91/91/04/1068919104.db2.gz HIMXUAHTVVJMNZ-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306432637 1068934156 /nfs/dbraw/zinc/93/41/56/1068934156.db2.gz GAKAZPVGLGGNNK-YPAWHYETSA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306432637 1068934167 /nfs/dbraw/zinc/93/41/67/1068934167.db2.gz GAKAZPVGLGGNNK-YPAWHYETSA-N 2 1 460.711 3.534 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)n2)CC1 ZINC001164401351 718853722 /nfs/dbraw/zinc/85/37/22/718853722.db2.gz BDIKOHHJFKURNK-MZNJEOGPSA-N 2 1 469.680 3.670 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164415080 718880973 /nfs/dbraw/zinc/88/09/73/718880973.db2.gz ZYEAWJQHBDOACR-XLIONFOSSA-N 2 1 497.606 3.534 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164415080 718880974 /nfs/dbraw/zinc/88/09/74/718880974.db2.gz ZYEAWJQHBDOACR-XLIONFOSSA-N 2 1 497.606 3.534 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684338 719652601 /nfs/dbraw/zinc/65/26/01/719652601.db2.gz WXTAQQPUDUMYMR-UHFFFAOYSA-N 2 1 475.000 3.926 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccn3)c(-c3ccccn3)nc2Cl)c2c1CC[NH2+]C2 ZINC001164684338 719652605 /nfs/dbraw/zinc/65/26/05/719652605.db2.gz WXTAQQPUDUMYMR-UHFFFAOYSA-N 2 1 475.000 3.926 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680101 719676185 /nfs/dbraw/zinc/67/61/85/719676185.db2.gz CJVUPFXWIOHHDY-JOCHJYFZSA-N 2 1 476.669 3.560 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164840994 720679233 /nfs/dbraw/zinc/67/92/33/720679233.db2.gz GTXZXBPHFTYZRU-OAQYLSRUSA-N 2 1 456.034 3.857 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(-n3nc(C(=O)N4CCC[C@@H]4C)c4c3CC[NH2+]C4)c2c1C ZINC001164850554 720805433 /nfs/dbraw/zinc/80/54/33/720805433.db2.gz JIEHKVGZGOTPFZ-INIZCTEOSA-N 2 1 493.681 3.750 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)c2c1C ZINC001164766738 721041099 /nfs/dbraw/zinc/04/10/99/721041099.db2.gz RMOLZWZKRMIQPD-UHFFFAOYSA-N 2 1 488.665 3.979 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771467 721200937 /nfs/dbraw/zinc/20/09/37/721200937.db2.gz QFAHOUXGTOXODX-NHCUHLMSSA-N 2 1 465.671 3.596 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771467 721200941 /nfs/dbraw/zinc/20/09/41/721200941.db2.gz QFAHOUXGTOXODX-NHCUHLMSSA-N 2 1 465.671 3.596 20 0 JHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891950 721419224 /nfs/dbraw/zinc/41/92/24/721419224.db2.gz WXKPOGKULFQKIM-UFHPHHKVSA-N 2 1 459.638 3.850 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973991 722123673 /nfs/dbraw/zinc/12/36/73/722123673.db2.gz IGSBVGAQEDPANM-WIOPSUGQSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973991 722123674 /nfs/dbraw/zinc/12/36/74/722123674.db2.gz IGSBVGAQEDPANM-WIOPSUGQSA-N 2 1 472.568 3.741 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306632554 1069334179 /nfs/dbraw/zinc/33/41/79/1069334179.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632554 1069334190 /nfs/dbraw/zinc/33/41/90/1069334190.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632554 1069334201 /nfs/dbraw/zinc/33/42/01/1069334201.db2.gz ZWESHCSPNZYKNI-FCHUYYIVSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306635622 1069342808 /nfs/dbraw/zinc/34/28/08/1069342808.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306635622 1069342823 /nfs/dbraw/zinc/34/28/23/1069342823.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306635622 1069342839 /nfs/dbraw/zinc/34/28/39/1069342839.db2.gz RJHZLVMUCGNBSG-DNVJHFABSA-N 2 1 476.710 3.577 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370059 /nfs/dbraw/zinc/37/00/59/1069370059.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370068 /nfs/dbraw/zinc/37/00/68/1069370068.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370075 /nfs/dbraw/zinc/37/00/75/1069370075.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370085 /nfs/dbraw/zinc/37/00/85/1069370085.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370094 /nfs/dbraw/zinc/37/00/94/1069370094.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370102 /nfs/dbraw/zinc/37/01/02/1069370102.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001311422348 1069370111 /nfs/dbraw/zinc/37/01/11/1069370111.db2.gz HQHSMDABYGCPRS-MZKUHISZSA-N 2 1 455.691 3.661 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1cccc(OC)c1 ZINC001311471067 1069394329 /nfs/dbraw/zinc/39/43/29/1069394329.db2.gz UWQLBMAFUDNTQK-ARMFNRFLSA-N 2 1 450.627 3.994 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001306678180 1069402675 /nfs/dbraw/zinc/40/26/75/1069402675.db2.gz JBUUNENVHHREEX-XMMPIXPASA-N 2 1 490.737 3.703 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001306680728 1069407757 /nfs/dbraw/zinc/40/77/57/1069407757.db2.gz ZYIUHVLNNQCINY-JOCHJYFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001306680728 1069407764 /nfs/dbraw/zinc/40/77/64/1069407764.db2.gz ZYIUHVLNNQCINY-JOCHJYFZSA-N 2 1 454.663 3.614 20 0 JHADMP COc1ccccc1[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574370 1069445716 /nfs/dbraw/zinc/44/57/16/1069445716.db2.gz RVGPBBNUDYUJMP-ZCYQVOJMSA-N 2 1 450.627 3.996 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306722425 1069460386 /nfs/dbraw/zinc/46/03/86/1069460386.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722425 1069460389 /nfs/dbraw/zinc/46/03/89/1069460389.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722425 1069460395 /nfs/dbraw/zinc/46/03/95/1069460395.db2.gz LBGBZFBDJMYINL-VXNXHJTFSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001306722387 1069460491 /nfs/dbraw/zinc/46/04/91/1069460491.db2.gz KETJUBVDNMYOEH-DEOSSOPVSA-N 2 1 487.737 3.773 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306725881 1069466932 /nfs/dbraw/zinc/46/69/32/1069466932.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306725881 1069466936 /nfs/dbraw/zinc/46/69/36/1069466936.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001306725881 1069466941 /nfs/dbraw/zinc/46/69/41/1069466941.db2.gz HQEKIHLROGWMKE-DENIHFKCSA-N 2 1 459.708 3.819 20 0 JHADMP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC001311868650 1069587986 /nfs/dbraw/zinc/58/79/86/1069587986.db2.gz DCAPZYPUTHPAIY-IZZNHLLZSA-N 2 1 450.627 3.694 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001312055706 1069696070 /nfs/dbraw/zinc/69/60/70/1069696070.db2.gz QQGMINZAJIDCJQ-NRFANRHFSA-N 2 1 451.453 3.977 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001312055706 1069696074 /nfs/dbraw/zinc/69/60/74/1069696074.db2.gz QQGMINZAJIDCJQ-NRFANRHFSA-N 2 1 451.453 3.977 20 0 JHADMP CCC[N@@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001307044546 1069778214 /nfs/dbraw/zinc/77/82/14/1069778214.db2.gz QLTROUFLTRVNLS-QHCPKHFHSA-N 2 1 468.690 3.800 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001307044546 1069778222 /nfs/dbraw/zinc/77/82/22/1069778222.db2.gz QLTROUFLTRVNLS-QHCPKHFHSA-N 2 1 468.690 3.800 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001314197166 1069778561 /nfs/dbraw/zinc/77/85/61/1069778561.db2.gz JZJGIJSXBURXBW-BHIFYINESA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001314197166 1069778565 /nfs/dbraw/zinc/77/85/65/1069778565.db2.gz JZJGIJSXBURXBW-BHIFYINESA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cc1 ZINC001314197166 1069778573 /nfs/dbraw/zinc/77/85/73/1069778573.db2.gz JZJGIJSXBURXBW-BHIFYINESA-N 2 1 470.662 3.832 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001307045730 1069783137 /nfs/dbraw/zinc/78/31/37/1069783137.db2.gz LUCVRHQCHHLAGL-JOCHJYFZSA-N 2 1 490.096 3.661 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312219411 1069790335 /nfs/dbraw/zinc/79/03/35/1069790335.db2.gz VXDCADGSGGZSHE-RPBOFIJWSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312219411 1069790350 /nfs/dbraw/zinc/79/03/50/1069790350.db2.gz VXDCADGSGGZSHE-RPBOFIJWSA-N 2 1 456.606 3.579 20 0 JHADMP CO[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC001312237917 1069799950 /nfs/dbraw/zinc/79/99/50/1069799950.db2.gz ZAYGHXYVHZWBBN-HSZRJFAPSA-N 2 1 451.055 3.865 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053967 1069814980 /nfs/dbraw/zinc/81/49/80/1069814980.db2.gz JNTVOJVQRQPQJC-RBZQAINGSA-N 2 1 459.727 3.661 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001307055805 1069822265 /nfs/dbraw/zinc/82/22/65/1069822265.db2.gz AJJXUMHJLJHZJK-HSZRJFAPSA-N 2 1 454.663 3.826 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001307055805 1069822291 /nfs/dbraw/zinc/82/22/91/1069822291.db2.gz AJJXUMHJLJHZJK-HSZRJFAPSA-N 2 1 454.663 3.826 20 0 JHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001307416635 1069974317 /nfs/dbraw/zinc/97/43/17/1069974317.db2.gz KUFNBPFBMMKULE-UHFFFAOYSA-N 2 1 456.553 3.534 20 0 JHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001307589879 1070068739 /nfs/dbraw/zinc/06/87/39/1070068739.db2.gz PYCTVFRQUZVQRW-UHFFFAOYSA-N 2 1 456.553 3.534 20 0 JHADMP CCOCc1nnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314343918 1070147333 /nfs/dbraw/zinc/14/73/33/1070147333.db2.gz LVUYXLSWQMJHRG-HSZRJFAPSA-N 2 1 454.663 3.790 20 0 JHADMP CCOCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001314377177 1070218124 /nfs/dbraw/zinc/21/81/24/1070218124.db2.gz BPXDECXRBSQPFO-HSZRJFAPSA-N 2 1 458.626 3.711 20 0 JHADMP Cc1sc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1Br ZINC001308206917 1070340033 /nfs/dbraw/zinc/34/00/33/1070340033.db2.gz BGYCYQVNEQJVMT-UHFFFAOYSA-N 2 1 452.418 3.770 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001309059607 1070514436 /nfs/dbraw/zinc/51/44/36/1070514436.db2.gz IDZRKFQDSCMSEM-YGKRLXNZSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001309059607 1070514445 /nfs/dbraw/zinc/51/44/45/1070514445.db2.gz IDZRKFQDSCMSEM-YGKRLXNZSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001309059607 1070514455 /nfs/dbraw/zinc/51/44/55/1070514455.db2.gz IDZRKFQDSCMSEM-YGKRLXNZSA-N 2 1 473.658 3.976 20 0 JHADMP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001309200717 1070601189 /nfs/dbraw/zinc/60/11/89/1070601189.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 2 1 455.668 3.566 20 0 JHADMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001309200717 1070601196 /nfs/dbraw/zinc/60/11/96/1070601196.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 2 1 455.668 3.566 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC001309200717 1070601201 /nfs/dbraw/zinc/60/12/01/1070601201.db2.gz GWOJYSHHJFSDII-DMTNHVFBSA-N 2 1 455.668 3.566 20 0 JHADMP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309255602 1070648243 /nfs/dbraw/zinc/64/82/43/1070648243.db2.gz XZPZHSDBHLLUKW-CCDWMCETSA-N 2 1 459.631 3.540 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[NH+](C(C)C)CC2)c1 ZINC001313574610 1070688967 /nfs/dbraw/zinc/68/89/67/1070688967.db2.gz KDVNWWPACGXQOS-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001313574610 1070688975 /nfs/dbraw/zinc/68/89/75/1070688975.db2.gz KDVNWWPACGXQOS-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC[N@H+](C(C)C)CC2)c1 ZINC001313574610 1070688985 /nfs/dbraw/zinc/68/89/85/1070688985.db2.gz KDVNWWPACGXQOS-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP C[NH+](C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649841 1070757359 /nfs/dbraw/zinc/75/73/59/1070757359.db2.gz DYHWZEQLFSMNRF-GOTSBHOMSA-N 2 1 460.711 3.993 20 0 JHADMP C[NH+](C)CCOc1ccccc1Cn1c(C2CCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001314668264 1070804089 /nfs/dbraw/zinc/80/40/89/1070804089.db2.gz BZVJCQSMRNUAHX-UHFFFAOYSA-N 2 1 454.663 3.845 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313668663 1070893078 /nfs/dbraw/zinc/89/30/78/1070893078.db2.gz RHBVWCRTBJOAEN-ZEQRLZLVSA-N 2 1 498.716 3.894 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001313677618 1070926107 /nfs/dbraw/zinc/92/61/07/1070926107.db2.gz KXALWUUIMAPLSA-QLBJFCOMSA-N 2 1 468.690 3.717 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001313693002 1070953488 /nfs/dbraw/zinc/95/34/88/1070953488.db2.gz FXVQJSPXWALHTQ-UHFFFAOYSA-N 2 1 457.573 3.663 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001313693920 1070955968 /nfs/dbraw/zinc/95/59/68/1070955968.db2.gz IBUNYJQSJJIIAG-UHFFFAOYSA-N 2 1 458.626 3.506 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001313693920 1070955972 /nfs/dbraw/zinc/95/59/72/1070955972.db2.gz IBUNYJQSJJIIAG-UHFFFAOYSA-N 2 1 458.626 3.506 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313710665 1071005141 /nfs/dbraw/zinc/00/51/41/1071005141.db2.gz BQLUZBBNNUAESC-GOTSBHOMSA-N 2 1 453.679 3.552 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001313802624 1071209044 /nfs/dbraw/zinc/20/90/44/1071209044.db2.gz GVRMVFHQLJUMTQ-UHFFFAOYSA-N 2 1 464.662 3.986 20 0 JHADMP CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313807890 1071231012 /nfs/dbraw/zinc/23/10/12/1071231012.db2.gz DAJDRSFSYXUGAE-KDURUIRLSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313807890 1071231021 /nfs/dbraw/zinc/23/10/21/1071231021.db2.gz DAJDRSFSYXUGAE-KDURUIRLSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+](CCn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313807890 1071231031 /nfs/dbraw/zinc/23/10/31/1071231031.db2.gz DAJDRSFSYXUGAE-KDURUIRLSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+](CCn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC001313807890 1071231040 /nfs/dbraw/zinc/23/10/40/1071231040.db2.gz DAJDRSFSYXUGAE-KDURUIRLSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@@H+](CCn1c(CC2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313820111 1071276350 /nfs/dbraw/zinc/27/63/50/1071276350.db2.gz UMJJTOHRCBTAGC-UHFFFAOYSA-N 2 1 473.754 3.736 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357905 /nfs/dbraw/zinc/35/79/05/1071357905.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357916 /nfs/dbraw/zinc/35/79/16/1071357916.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313858022 1071357933 /nfs/dbraw/zinc/35/79/33/1071357933.db2.gz FBPHXQCVBFBTSJ-VJBMBRPKSA-N 2 1 481.689 3.798 20 0 JHADMP CC[N@H+](CCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)C1CCCCC1 ZINC001310386268 1071358098 /nfs/dbraw/zinc/35/80/98/1071358098.db2.gz LNDZVWAFQGDUKA-UHFFFAOYSA-N 2 1 457.663 3.559 20 0 JHADMP CC[N@@H+](CCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1)C1CCCCC1 ZINC001310386268 1071358112 /nfs/dbraw/zinc/35/81/12/1071358112.db2.gz LNDZVWAFQGDUKA-UHFFFAOYSA-N 2 1 457.663 3.559 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313860820 1071372169 /nfs/dbraw/zinc/37/21/69/1071372169.db2.gz OPVFDGKMTLNWGE-SWYRRKHMSA-N 2 1 499.729 3.503 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384766 /nfs/dbraw/zinc/38/47/66/1071384766.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384771 /nfs/dbraw/zinc/38/47/71/1071384771.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313864061 1071384775 /nfs/dbraw/zinc/38/47/75/1071384775.db2.gz FULNRCGOQFYXBP-WOJBJXKFSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001313864135 1071386001 /nfs/dbraw/zinc/38/60/01/1071386001.db2.gz XINAVSXMOHCNCX-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001313864135 1071386012 /nfs/dbraw/zinc/38/60/12/1071386012.db2.gz XINAVSXMOHCNCX-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001313867072 1071397859 /nfs/dbraw/zinc/39/78/59/1071397859.db2.gz JFWKFDPDHWOKJI-ZEQRLZLVSA-N 2 1 481.733 3.998 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408276 /nfs/dbraw/zinc/40/82/76/1071408276.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 2 1 460.711 3.849 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408284 /nfs/dbraw/zinc/40/82/84/1071408284.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 2 1 460.711 3.849 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313869254 1071408289 /nfs/dbraw/zinc/40/82/89/1071408289.db2.gz OZMIZEATOHFJLS-VHJOFQCFSA-N 2 1 460.711 3.849 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871448 1071416844 /nfs/dbraw/zinc/41/68/44/1071416844.db2.gz ZIDXGSRFRRVIAE-YADHBBJMSA-N 2 1 470.731 3.810 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871104 1071415802 /nfs/dbraw/zinc/41/58/02/1071415802.db2.gz WWGLXJFHSRIYGL-SFTDATJTSA-N 2 1 451.663 3.788 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425463 /nfs/dbraw/zinc/42/54/63/1071425463.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425465 /nfs/dbraw/zinc/42/54/65/1071425465.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313873621 1071425469 /nfs/dbraw/zinc/42/54/69/1071425469.db2.gz MOFQCGGIJNJFSI-QHAWAJNXSA-N 2 1 458.626 3.504 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874469 1071428750 /nfs/dbraw/zinc/42/87/50/1071428750.db2.gz IARCCWFNDZDACS-MCEYFSPLSA-N 2 1 486.730 3.830 20 0 JHADMP CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313881082 1071453956 /nfs/dbraw/zinc/45/39/56/1071453956.db2.gz PCEAAUJLRLEOFR-HXUWFJFHSA-N 2 1 470.662 3.615 20 0 JHADMP CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313881979 1071456481 /nfs/dbraw/zinc/45/64/81/1071456481.db2.gz DYTZILREWLRVPG-QFIPXVFZSA-N 2 1 468.690 3.724 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886304 1071469805 /nfs/dbraw/zinc/46/98/05/1071469805.db2.gz RKIRXANBWLSVJD-DXBBTUNJSA-N 2 1 492.778 3.943 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001313886462 1071470875 /nfs/dbraw/zinc/47/08/75/1071470875.db2.gz CKBGLTXSOMNCOG-QHCPKHFHSA-N 2 1 460.711 3.537 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928339 1071583716 /nfs/dbraw/zinc/58/37/16/1071583716.db2.gz ATMREGRGCPORSY-NFBKMPQASA-N 2 1 454.663 3.952 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591765 /nfs/dbraw/zinc/59/17/65/1071591765.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591771 /nfs/dbraw/zinc/59/17/71/1071591771.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931378 1071591776 /nfs/dbraw/zinc/59/17/76/1071591776.db2.gz YOIAOCPGVCOCBW-RGSZASNESA-N 2 1 495.760 3.992 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596537 /nfs/dbraw/zinc/59/65/37/1071596537.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596541 /nfs/dbraw/zinc/59/65/41/1071596541.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313932748 1071596547 /nfs/dbraw/zinc/59/65/47/1071596547.db2.gz IFHNXJRILXKZOB-QFIPXVFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941960 1071618851 /nfs/dbraw/zinc/61/88/51/1071618851.db2.gz FRWJCEXUQUAEFV-HJOGWXRNSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313946696 1071629222 /nfs/dbraw/zinc/62/92/22/1071629222.db2.gz TZOZGOIPQPOCOB-DNVJHFABSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629825 /nfs/dbraw/zinc/62/98/25/1071629825.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629833 /nfs/dbraw/zinc/62/98/33/1071629833.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946809 1071629838 /nfs/dbraw/zinc/62/98/38/1071629838.db2.gz CDOZXEJCPAJYPE-XZOQPEGZSA-N 2 1 484.689 3.764 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313949108 1071635233 /nfs/dbraw/zinc/63/52/33/1071635233.db2.gz HUPKBZITJPSSLP-VQTJNVASSA-N 2 1 492.087 3.542 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928613 1068227712 /nfs/dbraw/zinc/22/77/12/1068227712.db2.gz KSYUCUSKYKTPPD-SFTDATJTSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928613 1068227719 /nfs/dbraw/zinc/22/77/19/1068227719.db2.gz KSYUCUSKYKTPPD-SFTDATJTSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001305928613 1068227733 /nfs/dbraw/zinc/22/77/33/1068227733.db2.gz KSYUCUSKYKTPPD-SFTDATJTSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001305928613 1068227748 /nfs/dbraw/zinc/22/77/48/1068227748.db2.gz KSYUCUSKYKTPPD-SFTDATJTSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306193093 1068583908 /nfs/dbraw/zinc/58/39/08/1068583908.db2.gz AZBCDQBZZBCYEO-FQEVSTJZSA-N 2 1 468.671 3.774 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306322402 1068753171 /nfs/dbraw/zinc/75/31/71/1068753171.db2.gz JVWPXQVJTFZLIK-OAQYLSRUSA-N 2 1 454.667 3.558 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306388426 1068824281 /nfs/dbraw/zinc/82/42/81/1068824281.db2.gz WGOSBDKJPLFQHT-KNQAVFIVSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1CCOC ZINC001306388426 1068824297 /nfs/dbraw/zinc/82/42/97/1068824297.db2.gz WGOSBDKJPLFQHT-KNQAVFIVSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306410136 1068890173 /nfs/dbraw/zinc/89/01/73/1068890173.db2.gz CYHIWYCYGZHQCQ-BHIFYINESA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306410136 1068890181 /nfs/dbraw/zinc/89/01/81/1068890181.db2.gz CYHIWYCYGZHQCQ-BHIFYINESA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306410136 1068890193 /nfs/dbraw/zinc/89/01/93/1068890193.db2.gz CYHIWYCYGZHQCQ-BHIFYINESA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306412922 1068898893 /nfs/dbraw/zinc/89/88/93/1068898893.db2.gz XQBNFIUNIBPULO-AOHZBQACSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306412922 1068898904 /nfs/dbraw/zinc/89/89/04/1068898904.db2.gz XQBNFIUNIBPULO-AOHZBQACSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306412922 1068898911 /nfs/dbraw/zinc/89/89/11/1068898911.db2.gz XQBNFIUNIBPULO-AOHZBQACSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306433409 1068935391 /nfs/dbraw/zinc/93/53/91/1068935391.db2.gz KYPFVWFGLDRZRJ-JRFVFWCSSA-N 2 1 468.690 3.717 20 0 JHADMP C[NH+](C)Cc1cc(NC(=O)N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)ccn1 ZINC001311081927 1069267239 /nfs/dbraw/zinc/26/72/39/1069267239.db2.gz VXZUUUVYCPDWMA-UHFFFAOYSA-N 2 1 457.022 3.615 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664194 719357507 /nfs/dbraw/zinc/35/75/07/719357507.db2.gz LVABJFUPBPNBOZ-UFHPHHKVSA-N 2 1 493.700 3.998 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664194 719357509 /nfs/dbraw/zinc/35/75/09/719357509.db2.gz LVABJFUPBPNBOZ-UFHPHHKVSA-N 2 1 493.700 3.998 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)nc1 ZINC001164815230 720244382 /nfs/dbraw/zinc/24/43/82/720244382.db2.gz BVQUWZFZQRCTSI-HSZRJFAPSA-N 2 1 452.647 3.826 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1 ZINC001164815230 720244390 /nfs/dbraw/zinc/24/43/90/720244390.db2.gz BVQUWZFZQRCTSI-HSZRJFAPSA-N 2 1 452.647 3.826 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc1 ZINC001164815230 720244397 /nfs/dbraw/zinc/24/43/97/720244397.db2.gz BVQUWZFZQRCTSI-HSZRJFAPSA-N 2 1 452.647 3.826 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2c1C ZINC001164735212 720524398 /nfs/dbraw/zinc/52/43/98/720524398.db2.gz WOXDSKMQIGHPAA-LJQANCHMSA-N 2 1 453.660 3.689 20 0 JHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3Cc5nccn5C[C@@H](C[NH+](C)C)C3)n2)CCC4)CC1 ZINC001164733540 720524571 /nfs/dbraw/zinc/52/45/71/720524571.db2.gz KVZRVZWUROCJQQ-LJQANCHMSA-N 2 1 479.698 3.806 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741136 720832019 /nfs/dbraw/zinc/83/20/19/720832019.db2.gz DENUVJYBSXBKBW-GZGNHOFSSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741136 720832020 /nfs/dbraw/zinc/83/20/20/720832020.db2.gz DENUVJYBSXBKBW-GZGNHOFSSA-N 2 1 486.599 3.590 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747599 720856621 /nfs/dbraw/zinc/85/66/21/720856621.db2.gz IEGIRMIFXQQJQI-QEGGNFSNSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747599 720856623 /nfs/dbraw/zinc/85/66/23/720856623.db2.gz IEGIRMIFXQQJQI-QEGGNFSNSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164747599 720856625 /nfs/dbraw/zinc/85/66/25/720856625.db2.gz IEGIRMIFXQQJQI-QEGGNFSNSA-N 2 1 463.674 3.990 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747064 720936025 /nfs/dbraw/zinc/93/60/25/720936025.db2.gz BWCFITFRPWFGPG-GGXMVOPNSA-N 2 1 491.680 3.610 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164771468 721199441 /nfs/dbraw/zinc/19/94/41/721199441.db2.gz QFAHOUXGTOXODX-RTWAWAEBSA-N 2 1 465.671 3.596 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164771468 721199456 /nfs/dbraw/zinc/19/94/56/721199456.db2.gz QFAHOUXGTOXODX-RTWAWAEBSA-N 2 1 465.671 3.596 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951263 721991404 /nfs/dbraw/zinc/99/14/04/721991404.db2.gz LQONGRYTWWFROG-PFATUAPWSA-N 2 1 476.687 3.618 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973131 722157694 /nfs/dbraw/zinc/15/76/94/722157694.db2.gz LHIPJFNMJZWIRM-REWPJTCUSA-N 2 1 489.998 3.779 20 0 JHADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341515 /nfs/dbraw/zinc/34/15/15/1069341515.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341529 /nfs/dbraw/zinc/34/15/29/1069341529.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001311357381 1069341540 /nfs/dbraw/zinc/34/15/40/1069341540.db2.gz HHBJBCYMGXGGTH-JYFHCDHNSA-N 2 1 455.691 3.620 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001306646581 1069357438 /nfs/dbraw/zinc/35/74/38/1069357438.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001306646581 1069357451 /nfs/dbraw/zinc/35/74/51/1069357451.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001306646581 1069357465 /nfs/dbraw/zinc/35/74/65/1069357465.db2.gz LZTMOGAULACWOG-LEWJYISDSA-N 2 1 475.081 3.877 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306681034 1069408368 /nfs/dbraw/zinc/40/83/68/1069408368.db2.gz HBAYJBHRQLQWBC-XMMPIXPASA-N 2 1 488.124 3.935 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001306680896 1069409119 /nfs/dbraw/zinc/40/91/19/1069409119.db2.gz VVNFTSFOVPOEAA-UHFFFAOYSA-N 2 1 481.689 3.944 20 0 JHADMP CCCC[N@@H+](C)CCn1c(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425780 /nfs/dbraw/zinc/42/57/80/1069425780.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 2 1 458.699 3.560 20 0 JHADMP CCCC[NH+](C)CCn1c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425782 /nfs/dbraw/zinc/42/57/82/1069425782.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 2 1 458.699 3.560 20 0 JHADMP CCCC[NH+](C)CCn1c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001306689032 1069425790 /nfs/dbraw/zinc/42/57/90/1069425790.db2.gz UDNSZACINVWATM-RBBKRZOGSA-N 2 1 458.699 3.560 20 0 JHADMP CCCC[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001306689385 1069426775 /nfs/dbraw/zinc/42/67/75/1069426775.db2.gz VTRCERMPSIHAHR-UHFFFAOYSA-N 2 1 453.679 3.697 20 0 JHADMP CCC(CC)[C@H](CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC001311533940 1069426878 /nfs/dbraw/zinc/42/68/78/1069426878.db2.gz CUYSMVMTOSEOIZ-QHCPKHFHSA-N 2 1 450.071 3.662 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306721352 1069457391 /nfs/dbraw/zinc/45/73/91/1069457391.db2.gz XKGZCFNYROFYFV-HSZRJFAPSA-N 2 1 473.710 3.526 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001306721352 1069457395 /nfs/dbraw/zinc/45/73/95/1069457395.db2.gz XKGZCFNYROFYFV-HSZRJFAPSA-N 2 1 473.710 3.526 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306721352 1069457388 /nfs/dbraw/zinc/45/73/88/1069457388.db2.gz XKGZCFNYROFYFV-HSZRJFAPSA-N 2 1 473.710 3.526 20 0 JHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671827 1069497931 /nfs/dbraw/zinc/49/79/31/1069497931.db2.gz GXCNFLSIRKJQDW-HBMCJLEFSA-N 2 1 450.071 3.518 20 0 JHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671827 1069497933 /nfs/dbraw/zinc/49/79/33/1069497933.db2.gz GXCNFLSIRKJQDW-HBMCJLEFSA-N 2 1 450.071 3.518 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001306784907 1069586045 /nfs/dbraw/zinc/58/60/45/1069586045.db2.gz OZQXIQXEJZSQOA-CTNGQTDRSA-N 2 1 453.660 3.873 20 0 JHADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306786522 1069589217 /nfs/dbraw/zinc/58/92/17/1069589217.db2.gz VONNIOSRDGGIHF-JOCHJYFZSA-N 2 1 454.663 3.532 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306786522 1069589224 /nfs/dbraw/zinc/58/92/24/1069589224.db2.gz VONNIOSRDGGIHF-JOCHJYFZSA-N 2 1 454.663 3.532 20 0 JHADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306786523 1069589285 /nfs/dbraw/zinc/58/92/85/1069589285.db2.gz VONNIOSRDGGIHF-QFIPXVFZSA-N 2 1 454.663 3.532 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001306786523 1069589291 /nfs/dbraw/zinc/58/92/91/1069589291.db2.gz VONNIOSRDGGIHF-QFIPXVFZSA-N 2 1 454.663 3.532 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001306787909 1069592906 /nfs/dbraw/zinc/59/29/06/1069592906.db2.gz JDUKXJGYPKDVPG-JOCHJYFZSA-N 2 1 453.679 3.997 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306789352 1069594821 /nfs/dbraw/zinc/59/48/21/1069594821.db2.gz VZQURQJCXWXZOR-WFIHMLKPSA-N 2 1 467.706 3.943 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306803561 1069612258 /nfs/dbraw/zinc/61/22/58/1069612258.db2.gz YXWRWNUBNPNUIX-UHFFFAOYSA-N 2 1 464.662 3.988 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306803561 1069612261 /nfs/dbraw/zinc/61/22/61/1069612261.db2.gz YXWRWNUBNPNUIX-UHFFFAOYSA-N 2 1 464.662 3.988 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306803561 1069612268 /nfs/dbraw/zinc/61/22/68/1069612268.db2.gz YXWRWNUBNPNUIX-UHFFFAOYSA-N 2 1 464.662 3.988 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753633 /nfs/dbraw/zinc/75/36/33/1069753633.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753643 /nfs/dbraw/zinc/75/36/43/1069753643.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)C1 ZINC001307035453 1069753653 /nfs/dbraw/zinc/75/36/53/1069753653.db2.gz UMTFGRTXJGXAOB-OFNKIYASSA-N 2 1 475.081 3.877 20 0 JHADMP C[C@@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC001312160924 1069757719 /nfs/dbraw/zinc/75/77/19/1069757719.db2.gz NRKHRKACUDBEPG-HSZRJFAPSA-N 2 1 452.643 3.566 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307046881 1069786702 /nfs/dbraw/zinc/78/67/02/1069786702.db2.gz SHQSPVSJOKUCTC-OAQYLSRUSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307046881 1069786715 /nfs/dbraw/zinc/78/67/15/1069786715.db2.gz SHQSPVSJOKUCTC-OAQYLSRUSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307046881 1069786726 /nfs/dbraw/zinc/78/67/26/1069786726.db2.gz SHQSPVSJOKUCTC-OAQYLSRUSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001307046943 1069787631 /nfs/dbraw/zinc/78/76/31/1069787631.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001307046943 1069787637 /nfs/dbraw/zinc/78/76/37/1069787637.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001307046943 1069787649 /nfs/dbraw/zinc/78/76/49/1069787649.db2.gz UJNRYCAGVGWHJC-FCHUYYIVSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307048113 1069792805 /nfs/dbraw/zinc/79/28/05/1069792805.db2.gz NHRQIHJJFLIIPU-PSWAGMNNSA-N 2 1 482.717 3.987 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307058171 1069836206 /nfs/dbraw/zinc/83/62/06/1069836206.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001307058171 1069836236 /nfs/dbraw/zinc/83/62/36/1069836236.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001307058171 1069836256 /nfs/dbraw/zinc/83/62/56/1069836256.db2.gz YIGOFYLFJJSDOO-IRLDBZIGSA-N 2 1 470.662 3.757 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974697 /nfs/dbraw/zinc/97/46/97/1069974697.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 2 1 450.627 3.503 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974706 /nfs/dbraw/zinc/97/47/06/1069974706.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 2 1 450.627 3.503 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312499020 1069974715 /nfs/dbraw/zinc/97/47/15/1069974715.db2.gz FTDHVZLHKQYMKO-SANMLTNESA-N 2 1 450.627 3.503 20 0 JHADMP C[C@H]1C[N@@H+](CCCNC(=O)N[C@]2(C)C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499575 1069975838 /nfs/dbraw/zinc/97/58/38/1069975838.db2.gz KJGCVYQGMGSPGK-PAUTXSKSSA-N 2 1 464.654 3.845 20 0 JHADMP C[C@H]1C[NH+](CCCNC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499575 1069975849 /nfs/dbraw/zinc/97/58/49/1069975849.db2.gz KJGCVYQGMGSPGK-PAUTXSKSSA-N 2 1 464.654 3.845 20 0 JHADMP C[C@H]1C[NH+](CCCNC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499575 1069975861 /nfs/dbraw/zinc/97/58/61/1069975861.db2.gz KJGCVYQGMGSPGK-PAUTXSKSSA-N 2 1 464.654 3.845 20 0 JHADMP CCOCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303531 1070089301 /nfs/dbraw/zinc/08/93/01/1070089301.db2.gz RYISJODFLKSGGE-UPVQGACJSA-N 2 1 454.663 3.790 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313446664 1070363195 /nfs/dbraw/zinc/36/31/95/1070363195.db2.gz DPYZUBMCCMGYTM-NJYVYQBISA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313446664 1070363211 /nfs/dbraw/zinc/36/32/11/1070363211.db2.gz DPYZUBMCCMGYTM-NJYVYQBISA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313446664 1070363228 /nfs/dbraw/zinc/36/32/28/1070363228.db2.gz DPYZUBMCCMGYTM-NJYVYQBISA-N 2 1 458.626 3.962 20 0 JHADMP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001313447376 1070366210 /nfs/dbraw/zinc/36/62/10/1070366210.db2.gz JEBLOFORQWXCCR-QFIPXVFZSA-N 2 1 461.054 3.631 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CCOCC)CC1 ZINC001313447376 1070366223 /nfs/dbraw/zinc/36/62/23/1070366223.db2.gz JEBLOFORQWXCCR-QFIPXVFZSA-N 2 1 461.054 3.631 20 0 JHADMP Cn1cc([C@@H]2[C@@H](C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC(=O)N2C(C)(C)C)cn1 ZINC001308463375 1070379036 /nfs/dbraw/zinc/37/90/36/1070379036.db2.gz CJEHXNDNYFGFBV-NLFFAJNJSA-N 2 1 455.622 3.544 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313452431 1070382475 /nfs/dbraw/zinc/38/24/75/1070382475.db2.gz HNSNYGZCDKRNOG-NRFANRHFSA-N 2 1 472.703 3.984 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)C[C@H]1CC ZINC001314500522 1070431670 /nfs/dbraw/zinc/43/16/70/1070431670.db2.gz JIQCDCIAOXKBMA-JOCHJYFZSA-N 2 1 460.711 3.678 20 0 JHADMP C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)CCSC1 ZINC001314659158 1070780471 /nfs/dbraw/zinc/78/04/71/1070780471.db2.gz MRBHBQIZUAGHHF-RUZDIDTESA-N 2 1 474.694 3.765 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314676246 1070821000 /nfs/dbraw/zinc/82/10/00/1070821000.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676246 1070821025 /nfs/dbraw/zinc/82/10/25/1070821025.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676246 1070821045 /nfs/dbraw/zinc/82/10/45/1070821045.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001314676246 1070821073 /nfs/dbraw/zinc/82/10/73/1070821073.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[NH+]1CCN(C)C(C)(C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314676246 1070821097 /nfs/dbraw/zinc/82/10/97/1070821097.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@@H+]1CCN(C)C(C)(C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676246 1070821126 /nfs/dbraw/zinc/82/11/26/1070821126.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CN(c1nnc(C(C)(C)C)n1CC[N@H+]1CCN(C)C(C)(C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001314676246 1070821155 /nfs/dbraw/zinc/82/11/55/1070821155.db2.gz ASWBVSHWROXKHR-XMMPIXPASA-N 2 1 481.733 3.702 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313669836 1070895278 /nfs/dbraw/zinc/89/52/78/1070895278.db2.gz DQUMOUCDAFRJJQ-HKBOAZHASA-N 2 1 451.663 3.999 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313695023 1070958601 /nfs/dbraw/zinc/95/86/01/1070958601.db2.gz ZQRQSVLGHMXJED-ZRZAMGCNSA-N 2 1 467.706 3.943 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001313694367 1070956517 /nfs/dbraw/zinc/95/65/17/1070956517.db2.gz IVTRVCSBAFXTOL-DEOSSOPVSA-N 2 1 468.690 3.921 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001313696779 1070964451 /nfs/dbraw/zinc/96/44/51/1070964451.db2.gz IUBIHZSKJSMHTO-UHFFFAOYSA-N 2 1 498.716 3.895 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001313696779 1070964456 /nfs/dbraw/zinc/96/44/56/1070964456.db2.gz IUBIHZSKJSMHTO-UHFFFAOYSA-N 2 1 498.716 3.895 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313725757 1071033558 /nfs/dbraw/zinc/03/35/58/1071033558.db2.gz QPNNZZGWEUNOGH-NFBKMPQASA-N 2 1 470.662 3.832 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)cc2)CC1 ZINC001310224999 1071219457 /nfs/dbraw/zinc/21/94/57/1071219457.db2.gz VVBUTZABQAZMFJ-UHFFFAOYSA-N 2 1 455.647 3.629 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001310239039 1071228656 /nfs/dbraw/zinc/22/86/56/1071228656.db2.gz JTNTVLTWFMOEBC-KRWDZBQOSA-N 2 1 454.497 3.635 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC001313808344 1071232575 /nfs/dbraw/zinc/23/25/75/1071232575.db2.gz FRFONGMWROKEGN-UHFFFAOYSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242713 /nfs/dbraw/zinc/24/27/13/1071242713.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242719 /nfs/dbraw/zinc/24/27/19/1071242719.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810754 1071242723 /nfs/dbraw/zinc/24/27/23/1071242723.db2.gz WQTYPIXGKNMOHG-SJLPKXTDSA-N 2 1 485.986 3.941 20 0 JHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)CCC(F)(F)F ZINC001313812734 1071252349 /nfs/dbraw/zinc/25/23/49/1071252349.db2.gz AHPBMOITZZADMI-QFIPXVFZSA-N 2 1 499.670 3.815 20 0 JHADMP C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CC2CCOCC2)CC1)C1CCCCC1 ZINC001314863465 1071260333 /nfs/dbraw/zinc/26/03/33/1071260333.db2.gz DQFORJNINHXGSH-UHFFFAOYSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC001313818797 1071270159 /nfs/dbraw/zinc/27/01/59/1071270159.db2.gz ATUSAXMDDTVBAI-UHFFFAOYSA-N 2 1 456.679 3.723 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314872803 1071288838 /nfs/dbraw/zinc/28/88/38/1071288838.db2.gz ORPKJWIROIOGBE-IBGZPJMESA-N 2 1 462.708 3.778 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314872803 1071288847 /nfs/dbraw/zinc/28/88/47/1071288847.db2.gz ORPKJWIROIOGBE-IBGZPJMESA-N 2 1 462.708 3.778 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365674 /nfs/dbraw/zinc/36/56/74/1071365674.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365691 /nfs/dbraw/zinc/36/56/91/1071365691.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365710 /nfs/dbraw/zinc/36/57/10/1071365710.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362058 /nfs/dbraw/zinc/36/20/58/1071362058.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362072 /nfs/dbraw/zinc/36/20/72/1071362072.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362081 /nfs/dbraw/zinc/36/20/81/1071362081.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362099 /nfs/dbraw/zinc/36/20/99/1071362099.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001313859713 1071364575 /nfs/dbraw/zinc/36/45/75/1071364575.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1C ZINC001313859713 1071364583 /nfs/dbraw/zinc/36/45/83/1071364583.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H]1C ZINC001313859713 1071364585 /nfs/dbraw/zinc/36/45/85/1071364585.db2.gz GXSMGEMJVKTIEM-QHAWAJNXSA-N 2 1 456.610 3.738 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365659 /nfs/dbraw/zinc/36/56/59/1071365659.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860923 1071371879 /nfs/dbraw/zinc/37/18/79/1071371879.db2.gz NFKVCRCDUFAQGQ-XGHQBKJUSA-N 2 1 475.479 3.967 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313863347 1071381405 /nfs/dbraw/zinc/38/14/05/1071381405.db2.gz DBRRFDVMGDWNMP-QTEQDKRBSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313863674 1071382415 /nfs/dbraw/zinc/38/24/15/1071382415.db2.gz WJWFYYOWEQSYGP-NHCUHLMSSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313863674 1071382426 /nfs/dbraw/zinc/38/24/26/1071382426.db2.gz WJWFYYOWEQSYGP-NHCUHLMSSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385081 /nfs/dbraw/zinc/38/50/81/1071385081.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385094 /nfs/dbraw/zinc/38/50/94/1071385094.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313864055 1071385116 /nfs/dbraw/zinc/38/51/16/1071385116.db2.gz FULNRCGOQFYXBP-PMACEKPBSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001313871103 1071415885 /nfs/dbraw/zinc/41/58/85/1071415885.db2.gz WWGLXJFHSRIYGL-RTWAWAEBSA-N 2 1 451.663 3.788 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871446 1071416782 /nfs/dbraw/zinc/41/67/82/1071416782.db2.gz ZIDXGSRFRRVIAE-VXKWHMMOSA-N 2 1 470.731 3.810 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C ZINC001313872202 1071419920 /nfs/dbraw/zinc/41/99/20/1071419920.db2.gz VIMFOUDEZFPDJW-XZOQPEGZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001313887107 1071472401 /nfs/dbraw/zinc/47/24/01/1071472401.db2.gz TVZHLFKSMGNFBY-SFHVURJKSA-N 2 1 479.044 3.626 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001313887107 1071472407 /nfs/dbraw/zinc/47/24/07/1071472407.db2.gz TVZHLFKSMGNFBY-SFHVURJKSA-N 2 1 479.044 3.626 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001313887107 1071472413 /nfs/dbraw/zinc/47/24/13/1071472413.db2.gz TVZHLFKSMGNFBY-SFHVURJKSA-N 2 1 479.044 3.626 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001313887107 1071472416 /nfs/dbraw/zinc/47/24/16/1071472416.db2.gz TVZHLFKSMGNFBY-SFHVURJKSA-N 2 1 479.044 3.626 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313895398 1071497121 /nfs/dbraw/zinc/49/71/21/1071497121.db2.gz HWJYSWKBKQLWLQ-SFHVURJKSA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513367 /nfs/dbraw/zinc/51/33/67/1071513367.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513380 /nfs/dbraw/zinc/51/33/80/1071513380.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513397 /nfs/dbraw/zinc/51/33/97/1071513397.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313902325 1071513407 /nfs/dbraw/zinc/51/34/07/1071513407.db2.gz FYLWVUZQIBFOIW-TZRRMPRUSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591615 /nfs/dbraw/zinc/59/16/15/1071591615.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591620 /nfs/dbraw/zinc/59/16/20/1071591620.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931385 1071591628 /nfs/dbraw/zinc/59/16/28/1071591628.db2.gz YOIAOCPGVCOCBW-ZWEKWIFMSA-N 2 1 495.760 3.992 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001313932598 1071595848 /nfs/dbraw/zinc/59/58/48/1071595848.db2.gz IMTDDOGDFPRTLC-GCJKJVERSA-N 2 1 454.644 3.849 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313934750 1071603557 /nfs/dbraw/zinc/60/35/57/1071603557.db2.gz VLJAVSDSRWPIBO-OAQYLSRUSA-N 2 1 468.690 3.884 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934720 1071603089 /nfs/dbraw/zinc/60/30/89/1071603089.db2.gz VCVCCTUTSYJMJP-GCJKJVERSA-N 2 1 452.603 3.688 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313936227 1071607883 /nfs/dbraw/zinc/60/78/83/1071607883.db2.gz NQVVZDQQXOHRBT-QGZVFWFLSA-N 2 1 472.435 3.833 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313936227 1071607885 /nfs/dbraw/zinc/60/78/85/1071607885.db2.gz NQVVZDQQXOHRBT-QGZVFWFLSA-N 2 1 472.435 3.833 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001313943959 1071623746 /nfs/dbraw/zinc/62/37/46/1071623746.db2.gz XNYLOFWHLBJRPL-HSZRJFAPSA-N 2 1 484.689 3.542 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001313943959 1071623749 /nfs/dbraw/zinc/62/37/49/1071623749.db2.gz XNYLOFWHLBJRPL-HSZRJFAPSA-N 2 1 484.689 3.542 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313949758 1071636879 /nfs/dbraw/zinc/63/68/79/1071636879.db2.gz RHVJKIMNIJFBSL-QGZVFWFLSA-N 2 1 467.445 3.790 20 0 JHADMP CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313957293 1071660180 /nfs/dbraw/zinc/66/01/80/1071660180.db2.gz RPUPPAPWPJLQFF-RUZDIDTESA-N 2 1 481.733 3.605 20 0 JHADMP CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313957293 1071660187 /nfs/dbraw/zinc/66/01/87/1071660187.db2.gz RPUPPAPWPJLQFF-RUZDIDTESA-N 2 1 481.733 3.605 20 0 JHADMP CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313957293 1071660198 /nfs/dbraw/zinc/66/01/98/1071660198.db2.gz RPUPPAPWPJLQFF-RUZDIDTESA-N 2 1 481.733 3.605 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928608 1068227168 /nfs/dbraw/zinc/22/71/68/1068227168.db2.gz KSYUCUSKYKTPPD-LEWJYISDSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928608 1068227170 /nfs/dbraw/zinc/22/71/70/1068227170.db2.gz KSYUCUSKYKTPPD-LEWJYISDSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001305928608 1068227177 /nfs/dbraw/zinc/22/71/77/1068227177.db2.gz KSYUCUSKYKTPPD-LEWJYISDSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001305928608 1068227183 /nfs/dbraw/zinc/22/71/83/1068227183.db2.gz KSYUCUSKYKTPPD-LEWJYISDSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001305951589 1068275685 /nfs/dbraw/zinc/27/56/85/1068275685.db2.gz WJPGCRVQILCZMI-QHCPKHFHSA-N 2 1 468.671 3.640 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001305985983 1068336590 /nfs/dbraw/zinc/33/65/90/1068336590.db2.gz CTMSMGTTYLHRRR-QHCPKHFHSA-N 2 1 498.716 3.841 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001305986221 1068337384 /nfs/dbraw/zinc/33/73/84/1068337384.db2.gz SDTZOSXHAZTBKC-UHFFFAOYSA-N 2 1 498.716 3.575 20 0 JHADMP CCc1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306136158 1068538806 /nfs/dbraw/zinc/53/88/06/1068538806.db2.gz JJPSJMLAVILSKT-MESAYYPLSA-N 2 1 460.711 3.534 20 0 JHADMP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001306136158 1068538810 /nfs/dbraw/zinc/53/88/10/1068538810.db2.gz JJPSJMLAVILSKT-MESAYYPLSA-N 2 1 460.711 3.534 20 0 JHADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001306136158 1068538816 /nfs/dbraw/zinc/53/88/16/1068538816.db2.gz JJPSJMLAVILSKT-MESAYYPLSA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001306319814 1068747568 /nfs/dbraw/zinc/74/75/68/1068747568.db2.gz XHZLDJWNUNFBRP-UNMCSNQZSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001306319814 1068747577 /nfs/dbraw/zinc/74/75/77/1068747577.db2.gz XHZLDJWNUNFBRP-UNMCSNQZSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@@H+]1CCOC ZINC001306386935 1068820698 /nfs/dbraw/zinc/82/06/98/1068820698.db2.gz LTTZZVBHHNQPHW-OAQYLSRUSA-N 2 1 469.609 3.630 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@H+]1CCOC ZINC001306386935 1068820716 /nfs/dbraw/zinc/82/07/16/1068820716.db2.gz LTTZZVBHHNQPHW-OAQYLSRUSA-N 2 1 469.609 3.630 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC001306434921 1068938686 /nfs/dbraw/zinc/93/86/86/1068938686.db2.gz SOHYFCUYCMLSAA-FGZHOGPDSA-N 2 1 460.711 3.536 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCN4CC[NH2+]C[C@@H]4C3)n2)CC1 ZINC001164402260 718839961 /nfs/dbraw/zinc/83/99/61/718839961.db2.gz DSBBURNVPTZMNM-GOSISDBHSA-N 2 1 468.696 3.746 20 0 JHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164684628 719670436 /nfs/dbraw/zinc/67/04/36/719670436.db2.gz UYKSGFYPRAZIIJ-HXUWFJFHSA-N 2 1 460.626 3.668 20 0 JHADMP Fc1cccnc1N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001164692078 719760916 /nfs/dbraw/zinc/76/09/16/719760916.db2.gz RLASTIORAWEUCC-CUNXSJBXSA-N 2 1 459.569 3.833 20 0 JHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813912 720205460 /nfs/dbraw/zinc/20/54/60/720205460.db2.gz QUAVIRJVCZPHIS-OFNKIYASSA-N 2 1 467.004 3.841 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164819668 720308362 /nfs/dbraw/zinc/30/83/62/720308362.db2.gz FRXBBTNJQDLKDC-KAYWLYCHSA-N 2 1 473.665 3.551 20 0 JHADMP c1nc2n(c1-c1cccnc1)CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C21CC[NH2+]CC1 ZINC001164843900 720741843 /nfs/dbraw/zinc/74/18/43/720741843.db2.gz MNBHUXVSNRBTGO-UHFFFAOYSA-N 2 1 491.643 3.997 20 0 JHADMP Clc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164754997 720906371 /nfs/dbraw/zinc/90/63/71/720906371.db2.gz XSXLKROCEWDVAR-HFZDXXHNSA-N 2 1 468.045 3.531 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872240 721145464 /nfs/dbraw/zinc/14/54/64/721145464.db2.gz HDNXAGHHCIAKCN-FCHUYYIVSA-N 2 1 478.666 3.779 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872240 721145473 /nfs/dbraw/zinc/14/54/73/721145473.db2.gz HDNXAGHHCIAKCN-FCHUYYIVSA-N 2 1 478.666 3.779 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897460 721446355 /nfs/dbraw/zinc/44/63/55/721446355.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897460 721446357 /nfs/dbraw/zinc/44/63/57/721446357.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897460 721446360 /nfs/dbraw/zinc/44/63/60/721446360.db2.gz UDQGJRVQQCBJSE-RGSZASNESA-N 2 1 455.691 3.784 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2ncccn2)n1 ZINC001164792057 721484692 /nfs/dbraw/zinc/48/46/92/721484692.db2.gz LCXWNZGFCMSEEU-AABGKKOBSA-N 2 1 481.670 3.703 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165010318 721745500 /nfs/dbraw/zinc/74/55/00/721745500.db2.gz LRJVEQDXUWLUSR-UHFFFAOYSA-N 2 1 472.703 3.673 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974022 722124476 /nfs/dbraw/zinc/12/44/76/722124476.db2.gz IHJCXFISMAPKKL-ILBGXUMGSA-N 2 1 454.578 3.602 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974022 722124477 /nfs/dbraw/zinc/12/44/77/722124477.db2.gz IHJCXFISMAPKKL-ILBGXUMGSA-N 2 1 454.578 3.602 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306622037 1069311441 /nfs/dbraw/zinc/31/14/41/1069311441.db2.gz VCHXRDOOZHYWNN-QHCPKHFHSA-N 2 1 469.678 3.542 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC001306623164 1069313804 /nfs/dbraw/zinc/31/38/04/1069313804.db2.gz RJHDCNUKSRNIBB-FQEVSTJZSA-N 2 1 490.027 3.880 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC001306623164 1069313810 /nfs/dbraw/zinc/31/38/10/1069313810.db2.gz RJHDCNUKSRNIBB-FQEVSTJZSA-N 2 1 490.027 3.880 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC001311343282 1069330607 /nfs/dbraw/zinc/33/06/07/1069330607.db2.gz CRXFFLZPYSYRBI-CVJWPJSTSA-N 2 1 450.627 3.899 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001306646583 1069357300 /nfs/dbraw/zinc/35/73/00/1069357300.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001306646583 1069357317 /nfs/dbraw/zinc/35/73/17/1069357317.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001306646583 1069357331 /nfs/dbraw/zinc/35/73/31/1069357331.db2.gz LZTMOGAULACWOG-NHCUHLMSSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001306646588 1069357659 /nfs/dbraw/zinc/35/76/59/1069357659.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001306646588 1069357671 /nfs/dbraw/zinc/35/76/71/1069357671.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 2 1 475.081 3.877 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001306646588 1069357684 /nfs/dbraw/zinc/35/76/84/1069357684.db2.gz LZTMOGAULACWOG-SFTDATJTSA-N 2 1 475.081 3.877 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677736 1069401823 /nfs/dbraw/zinc/40/18/23/1069401823.db2.gz BQIMIWAVOQZQJA-QFIPXVFZSA-N 2 1 455.695 3.964 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306677736 1069401825 /nfs/dbraw/zinc/40/18/25/1069401825.db2.gz BQIMIWAVOQZQJA-QFIPXVFZSA-N 2 1 455.695 3.964 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306677736 1069401826 /nfs/dbraw/zinc/40/18/26/1069401826.db2.gz BQIMIWAVOQZQJA-QFIPXVFZSA-N 2 1 455.695 3.964 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306681599 1069411115 /nfs/dbraw/zinc/41/11/15/1069411115.db2.gz PBYYJELLAXDBEH-UHFFFAOYSA-N 2 1 466.472 3.734 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306681772 1069411348 /nfs/dbraw/zinc/41/13/48/1069411348.db2.gz UATPGGKBIQTBHO-RZUBCFFCSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001306681772 1069411353 /nfs/dbraw/zinc/41/13/53/1069411353.db2.gz UATPGGKBIQTBHO-RZUBCFFCSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001306681772 1069411356 /nfs/dbraw/zinc/41/13/56/1069411356.db2.gz UATPGGKBIQTBHO-RZUBCFFCSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306686494 1069423356 /nfs/dbraw/zinc/42/33/56/1069423356.db2.gz DCNPSJSFSWKYDV-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306686494 1069423358 /nfs/dbraw/zinc/42/33/58/1069423358.db2.gz DCNPSJSFSWKYDV-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001306686494 1069423362 /nfs/dbraw/zinc/42/33/62/1069423362.db2.gz DCNPSJSFSWKYDV-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533704 1069426860 /nfs/dbraw/zinc/42/68/60/1069426860.db2.gz OFBANPNIYFQYLU-LEWJYISDSA-N 2 1 458.569 3.744 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533709 1069426992 /nfs/dbraw/zinc/42/69/92/1069426992.db2.gz OFBANPNIYFQYLU-SFTDATJTSA-N 2 1 458.569 3.744 20 0 JHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001311664204 1069493348 /nfs/dbraw/zinc/49/33/48/1069493348.db2.gz ACUUCYYGXHAMPJ-RCZVLFRGSA-N 2 1 465.573 3.656 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC001311664204 1069493351 /nfs/dbraw/zinc/49/33/51/1069493351.db2.gz ACUUCYYGXHAMPJ-RCZVLFRGSA-N 2 1 465.573 3.656 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001306781173 1069578914 /nfs/dbraw/zinc/57/89/14/1069578914.db2.gz HNKXDPZQYKHSIH-FKBYEOEOSA-N 2 1 491.725 3.511 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC001306787911 1069593111 /nfs/dbraw/zinc/59/31/11/1069593111.db2.gz JDUKXJGYPKDVPG-QFIPXVFZSA-N 2 1 453.679 3.997 20 0 JHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC001311933456 1069620032 /nfs/dbraw/zinc/62/00/32/1069620032.db2.gz QMQMXIIZVVQMHQ-OAQYLSRUSA-N 2 1 457.663 3.720 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306808453 1069625072 /nfs/dbraw/zinc/62/50/72/1069625072.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306808453 1069625076 /nfs/dbraw/zinc/62/50/76/1069625076.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306808453 1069625082 /nfs/dbraw/zinc/62/50/82/1069625082.db2.gz MDWIKRFYRBTZRM-MBDNFAEBSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC001311973285 1069644341 /nfs/dbraw/zinc/64/43/41/1069644341.db2.gz AMEMDSXVRUFYBN-IZZNHLLZSA-N 2 1 450.627 3.837 20 0 JHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311998602 1069658739 /nfs/dbraw/zinc/65/87/39/1069658739.db2.gz WOWXWXCYSSZGLP-MCEYFSPLSA-N 2 1 450.627 3.801 20 0 JHADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311998602 1069658748 /nfs/dbraw/zinc/65/87/48/1069658748.db2.gz WOWXWXCYSSZGLP-MCEYFSPLSA-N 2 1 450.627 3.801 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH+](CC)CC)CC2)C1 ZINC001307032029 1069742929 /nfs/dbraw/zinc/74/29/29/1069742929.db2.gz QFNPZMUFWLMGEF-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189149 1069746711 /nfs/dbraw/zinc/74/67/11/1069746711.db2.gz QMYMWCJGZHSRCN-RLWLMLJZSA-N 2 1 486.730 3.950 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189280 1069747189 /nfs/dbraw/zinc/74/71/89/1069747189.db2.gz RJVWDZRDBQOGFE-FYYLOGMGSA-N 2 1 454.663 3.997 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189280 1069747195 /nfs/dbraw/zinc/74/71/95/1069747195.db2.gz RJVWDZRDBQOGFE-FYYLOGMGSA-N 2 1 454.663 3.997 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001307039250 1069763394 /nfs/dbraw/zinc/76/33/94/1069763394.db2.gz TUNMPJRTAGUHBF-FQEVSTJZSA-N 2 1 460.617 3.657 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001312165010 1069759750 /nfs/dbraw/zinc/75/97/50/1069759750.db2.gz OCFRGVPBRSXSBS-DRZCSJLFSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001312165010 1069759757 /nfs/dbraw/zinc/75/97/57/1069759757.db2.gz OCFRGVPBRSXSBS-DRZCSJLFSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001312165010 1069759766 /nfs/dbraw/zinc/75/97/66/1069759766.db2.gz OCFRGVPBRSXSBS-DRZCSJLFSA-N 2 1 464.654 3.876 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307046880 1069786895 /nfs/dbraw/zinc/78/68/95/1069786895.db2.gz SHQSPVSJOKUCTC-NRFANRHFSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307046880 1069786904 /nfs/dbraw/zinc/78/69/04/1069786904.db2.gz SHQSPVSJOKUCTC-NRFANRHFSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307046880 1069786914 /nfs/dbraw/zinc/78/69/14/1069786914.db2.gz SHQSPVSJOKUCTC-NRFANRHFSA-N 2 1 458.626 3.649 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001307046946 1069787407 /nfs/dbraw/zinc/78/74/07/1069787407.db2.gz UJNRYCAGVGWHJC-YADHBBJMSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001307046946 1069787423 /nfs/dbraw/zinc/78/74/23/1069787423.db2.gz UJNRYCAGVGWHJC-YADHBBJMSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001307046946 1069787435 /nfs/dbraw/zinc/78/74/35/1069787435.db2.gz UJNRYCAGVGWHJC-YADHBBJMSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001307052869 1069809115 /nfs/dbraw/zinc/80/91/15/1069809115.db2.gz HSQUJOBTAPXPPX-HSZRJFAPSA-N 2 1 470.710 3.571 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314225915 1069893151 /nfs/dbraw/zinc/89/31/51/1069893151.db2.gz QGGJEUUTTIJUBN-NRFANRHFSA-N 2 1 470.662 3.661 20 0 JHADMP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001307526064 1070034641 /nfs/dbraw/zinc/03/46/41/1070034641.db2.gz PZUZLGOZROTVJJ-RUZDIDTESA-N 2 1 452.668 3.770 20 0 JHADMP COCC[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684035 1070081374 /nfs/dbraw/zinc/08/13/74/1070081374.db2.gz YAQNGENTCYIWEW-NQIIRXRSSA-N 2 1 457.446 3.881 20 0 JHADMP CSC1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+](C)CC1 ZINC001312799866 1070130059 /nfs/dbraw/zinc/13/00/59/1070130059.db2.gz LBGUCWFAKZHGJZ-BJKOFHAPSA-N 2 1 452.668 3.781 20 0 JHADMP COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001307724370 1070148648 /nfs/dbraw/zinc/14/86/48/1070148648.db2.gz HXXIDAPOUUZNLL-KRWDZBQOSA-N 2 1 457.537 3.865 20 0 JHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001312855429 1070157657 /nfs/dbraw/zinc/15/76/57/1070157657.db2.gz WGVYWPMVLFIVRN-UHFFFAOYSA-N 2 1 451.453 3.931 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314400140 1070260859 /nfs/dbraw/zinc/26/08/59/1070260859.db2.gz QCQMZBRNUOAVFQ-HSZRJFAPSA-N 2 1 454.663 3.566 20 0 JHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001313137682 1070266080 /nfs/dbraw/zinc/26/60/80/1070266080.db2.gz FDUMHYIKOADIOQ-GSLIJJQTSA-N 2 1 455.691 3.631 20 0 JHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313137682 1070266095 /nfs/dbraw/zinc/26/60/95/1070266095.db2.gz FDUMHYIKOADIOQ-GSLIJJQTSA-N 2 1 455.691 3.631 20 0 JHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313137682 1070266112 /nfs/dbraw/zinc/26/61/12/1070266112.db2.gz FDUMHYIKOADIOQ-GSLIJJQTSA-N 2 1 455.691 3.631 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001313340165 1070331763 /nfs/dbraw/zinc/33/17/63/1070331763.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340165 1070331781 /nfs/dbraw/zinc/33/17/81/1070331781.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001313340165 1070331800 /nfs/dbraw/zinc/33/18/00/1070331800.db2.gz BJIIOSKEGIACEH-FTJBHMTQSA-N 2 1 456.675 3.614 20 0 JHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cc(Br)cnc2Cl)cc1 ZINC001308282395 1070351758 /nfs/dbraw/zinc/35/17/58/1070351758.db2.gz OELIJLIDGYCCSZ-UHFFFAOYSA-N 2 1 451.796 3.613 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314500029 1070428845 /nfs/dbraw/zinc/42/88/45/1070428845.db2.gz RROVITPYTASUEX-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314500029 1070428850 /nfs/dbraw/zinc/42/88/50/1070428850.db2.gz RROVITPYTASUEX-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1CC ZINC001314500029 1070428856 /nfs/dbraw/zinc/42/88/56/1070428856.db2.gz RROVITPYTASUEX-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501259 1070524641 /nfs/dbraw/zinc/52/46/41/1070524641.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501259 1070524656 /nfs/dbraw/zinc/52/46/56/1070524656.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501259 1070524672 /nfs/dbraw/zinc/52/46/72/1070524672.db2.gz CUTDJHUNNBIAPW-FGZHOGPDSA-N 2 1 482.673 3.923 20 0 JHADMP C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001314663244 1070791208 /nfs/dbraw/zinc/79/12/08/1070791208.db2.gz QECVKJATEQPTHD-SFHVURJKSA-N 2 1 495.499 3.998 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313657689 1070855923 /nfs/dbraw/zinc/85/59/23/1070855923.db2.gz NPNAFOOYCCAIDD-BHIFYINESA-N 2 1 471.694 3.572 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313666715 1070885484 /nfs/dbraw/zinc/88/54/84/1070885484.db2.gz JGKFVMFZFCNUHA-QFIPXVFZSA-N 2 1 456.679 3.941 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313667170 1070888394 /nfs/dbraw/zinc/88/83/94/1070888394.db2.gz JSPHCUVFYSTDNL-ZRBLBEILSA-N 2 1 461.743 3.592 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313671044 1070899130 /nfs/dbraw/zinc/89/91/30/1070899130.db2.gz NLZWTQYSAKGDRT-PKTZIBPZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313669999 1070896424 /nfs/dbraw/zinc/89/64/24/1070896424.db2.gz XPYQBIDISYJPCW-GJZUVCINSA-N 2 1 476.710 3.504 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001313699365 1070974049 /nfs/dbraw/zinc/97/40/49/1070974049.db2.gz BSDLWFGXSJXPQY-JOCHJYFZSA-N 2 1 495.716 3.617 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313703827 1070988633 /nfs/dbraw/zinc/98/86/33/1070988633.db2.gz GSDXLVHHKNZMHF-PQNGQFLHSA-N 2 1 454.663 3.591 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313710666 1071005178 /nfs/dbraw/zinc/00/51/78/1071005178.db2.gz BQLUZBBNNUAESC-PKTZIBPZSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313725098 1071032056 /nfs/dbraw/zinc/03/20/56/1071032056.db2.gz ZFFVOURDBBYLHF-PKTZIBPZSA-N 2 1 468.690 3.597 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313727610 1071037184 /nfs/dbraw/zinc/03/71/84/1071037184.db2.gz VQZSTAKMTFKOSP-QLBJFCOMSA-N 2 1 484.737 3.961 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1Br ZINC001310072353 1071098430 /nfs/dbraw/zinc/09/84/30/1071098430.db2.gz RQFTVKQPCVZIDE-LBPRGKRZSA-N 2 1 450.219 3.605 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1Br ZINC001310072353 1071098445 /nfs/dbraw/zinc/09/84/45/1071098445.db2.gz RQFTVKQPCVZIDE-LBPRGKRZSA-N 2 1 450.219 3.605 20 0 JHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)CCC(F)(F)F ZINC001313812733 1071252100 /nfs/dbraw/zinc/25/21/00/1071252100.db2.gz AHPBMOITZZADMI-JOCHJYFZSA-N 2 1 499.670 3.815 20 0 JHADMP C[N@@H+](CCn1c(-c2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256697 /nfs/dbraw/zinc/25/66/97/1071256697.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 2 1 465.621 3.922 20 0 JHADMP C[NH+](CCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256706 /nfs/dbraw/zinc/25/67/06/1071256706.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 2 1 465.621 3.922 20 0 JHADMP C[NH+](CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314862537 1071256716 /nfs/dbraw/zinc/25/67/16/1071256716.db2.gz HFLFWIHMQAOQPH-UHFFFAOYSA-N 2 1 465.621 3.922 20 0 JHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC001310280169 1071263277 /nfs/dbraw/zinc/26/32/77/1071263277.db2.gz KKZZLDNNYVLPCQ-DEOSSOPVSA-N 2 1 453.562 3.537 20 0 JHADMP CC[N@@H+](CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC001313815417 1071261102 /nfs/dbraw/zinc/26/11/02/1071261102.db2.gz WJIDEUVUDRPHRW-DEOSSOPVSA-N 2 1 454.663 3.615 20 0 JHADMP CC[N@@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268802 /nfs/dbraw/zinc/26/88/02/1071268802.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268820 /nfs/dbraw/zinc/26/88/20/1071268820.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001313818577 1071268830 /nfs/dbraw/zinc/26/88/30/1071268830.db2.gz LTTOGBKZPILWBY-FQEVSTJZSA-N 2 1 490.643 3.567 20 0 JHADMP CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313818949 1071270567 /nfs/dbraw/zinc/27/05/67/1071270567.db2.gz UXCDCDIEVIXRIZ-UHFFFAOYSA-N 2 1 495.760 3.902 20 0 JHADMP Cc1ccc(N2CCOC2=O)cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001310347164 1071329040 /nfs/dbraw/zinc/32/90/40/1071329040.db2.gz PKEGCAKBSYVRCN-UHFFFAOYSA-N 2 1 457.619 3.612 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001313858237 1071358870 /nfs/dbraw/zinc/35/88/70/1071358870.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001313858237 1071358887 /nfs/dbraw/zinc/35/88/87/1071358887.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001313858237 1071358902 /nfs/dbraw/zinc/35/89/02/1071358902.db2.gz ABCGMIDNUJDIMM-UXHICEINSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313858873 1071361403 /nfs/dbraw/zinc/36/14/03/1071361403.db2.gz CWIXMIOXSHMZSL-VAMGGRTRSA-N 2 1 458.651 3.612 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313858871 1071361672 /nfs/dbraw/zinc/36/16/72/1071361672.db2.gz CWIXMIOXSHMZSL-AQNXPRMDSA-N 2 1 458.651 3.612 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313860413 1071369400 /nfs/dbraw/zinc/36/94/00/1071369400.db2.gz KLOQBJMFFYMBKL-NJDAHSKKSA-N 2 1 464.662 3.984 20 0 JHADMP CC[NH+](CC)CCNC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1Cl ZINC001310447583 1071396337 /nfs/dbraw/zinc/39/63/37/1071396337.db2.gz UYMJVTPANMBRFY-KRWDZBQOSA-N 2 1 452.043 3.654 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871921 1071419108 /nfs/dbraw/zinc/41/91/08/1071419108.db2.gz VPAYEOCBYUVXJM-WOJBJXKFSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001313890664 1071483095 /nfs/dbraw/zinc/48/30/95/1071483095.db2.gz OIGVCLXBZMYARI-HXUWFJFHSA-N 2 1 470.662 3.615 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313892212 1071486844 /nfs/dbraw/zinc/48/68/44/1071486844.db2.gz CFQJTNLNAYIDHF-QHCPKHFHSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313892212 1071486851 /nfs/dbraw/zinc/48/68/51/1071486851.db2.gz CFQJTNLNAYIDHF-QHCPKHFHSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313892212 1071486855 /nfs/dbraw/zinc/48/68/55/1071486855.db2.gz CFQJTNLNAYIDHF-QHCPKHFHSA-N 2 1 454.663 3.995 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313906627 1071525027 /nfs/dbraw/zinc/52/50/27/1071525027.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313906627 1071525035 /nfs/dbraw/zinc/52/50/35/1071525035.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313906627 1071525043 /nfs/dbraw/zinc/52/50/43/1071525043.db2.gz YCBPETPDTIROQV-BHDDXSALSA-N 2 1 488.652 3.589 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313935574 1071606057 /nfs/dbraw/zinc/60/60/57/1071606057.db2.gz IGBXYYCGUQZRPO-HXUWFJFHSA-N 2 1 470.662 3.615 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001313937926 1071611398 /nfs/dbraw/zinc/61/13/98/1071611398.db2.gz XNTDHLWMOWUGTG-IBGZPJMESA-N 2 1 484.048 3.513 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313940466 1071615060 /nfs/dbraw/zinc/61/50/60/1071615060.db2.gz MCAYEBYWJSHVIZ-QFBILLFUSA-N 2 1 459.689 3.529 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001313942774 1071621414 /nfs/dbraw/zinc/62/14/14/1071621414.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001313942774 1071621418 /nfs/dbraw/zinc/62/14/18/1071621418.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001313942774 1071621421 /nfs/dbraw/zinc/62/14/21/1071621421.db2.gz NOPWSVQCNFAUFM-UPVQGACJSA-N 2 1 498.716 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313947171 1071631099 /nfs/dbraw/zinc/63/10/99/1071631099.db2.gz FZQUPBOZMVEJAA-NJDAHSKKSA-N 2 1 478.751 3.555 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947194 1071631155 /nfs/dbraw/zinc/63/11/55/1071631155.db2.gz GJJQTWFSWNRZGM-PMACEKPBSA-N 2 1 484.670 3.761 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313949106 1071635213 /nfs/dbraw/zinc/63/52/13/1071635213.db2.gz HUPKBZITJPSSLP-PMACEKPBSA-N 2 1 492.087 3.542 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640667 /nfs/dbraw/zinc/64/06/67/1071640667.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640670 /nfs/dbraw/zinc/64/06/70/1071640670.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951092 1071640676 /nfs/dbraw/zinc/64/06/76/1071640676.db2.gz FJCJXNKNSKDOMR-AOYPEHQESA-N 2 1 495.760 3.808 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313953060 1071647574 /nfs/dbraw/zinc/64/75/74/1071647574.db2.gz FWASJFGOABNSCL-RPWUZVMVSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313953060 1071647579 /nfs/dbraw/zinc/64/75/79/1071647579.db2.gz FWASJFGOABNSCL-RPWUZVMVSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313953060 1071647582 /nfs/dbraw/zinc/64/75/82/1071647582.db2.gz FWASJFGOABNSCL-RPWUZVMVSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313957294 1071660028 /nfs/dbraw/zinc/66/00/28/1071660028.db2.gz RPUPPAPWPJLQFF-VWLOTQADSA-N 2 1 481.733 3.605 20 0 JHADMP CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313957294 1071660031 /nfs/dbraw/zinc/66/00/31/1071660031.db2.gz RPUPPAPWPJLQFF-VWLOTQADSA-N 2 1 481.733 3.605 20 0 JHADMP CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313957294 1071660034 /nfs/dbraw/zinc/66/00/34/1071660034.db2.gz RPUPPAPWPJLQFF-VWLOTQADSA-N 2 1 481.733 3.605 20 0 JHADMP CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306135171 1068538085 /nfs/dbraw/zinc/53/80/85/1068538085.db2.gz RGFSBDBEIJMUJY-VWNXMTODSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001306135171 1068538099 /nfs/dbraw/zinc/53/80/99/1068538099.db2.gz RGFSBDBEIJMUJY-VWNXMTODSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306208100 1068599195 /nfs/dbraw/zinc/59/91/95/1068599195.db2.gz VEHGTXFNKMXZCY-DEOSSOPVSA-N 2 1 452.691 3.963 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001306319813 1068747434 /nfs/dbraw/zinc/74/74/34/1068747434.db2.gz XHZLDJWNUNFBRP-RBBKRZOGSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001306319813 1068747442 /nfs/dbraw/zinc/74/74/42/1068747442.db2.gz XHZLDJWNUNFBRP-RBBKRZOGSA-N 2 1 487.718 3.626 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306391022 1068830503 /nfs/dbraw/zinc/83/05/03/1068830503.db2.gz VMNVFBAFCPSVJK-ILBGXUMGSA-N 2 1 498.716 3.968 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306408568 1068885952 /nfs/dbraw/zinc/88/59/52/1068885952.db2.gz KUPPNRDZXXXLCQ-FCEUIQTBSA-N 2 1 490.096 3.517 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC[N@H+]1CCOC ZINC001306620367 1069306819 /nfs/dbraw/zinc/30/68/19/1069306819.db2.gz YKWITXIBOPPLPV-OAQYLSRUSA-N 2 1 474.719 3.633 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC[NH+]1CCOC ZINC001306620367 1069306831 /nfs/dbraw/zinc/30/68/31/1069306831.db2.gz YKWITXIBOPPLPV-OAQYLSRUSA-N 2 1 474.719 3.633 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)CC[NH+]1CCOC ZINC001306620367 1069306842 /nfs/dbraw/zinc/30/68/42/1069306842.db2.gz YKWITXIBOPPLPV-OAQYLSRUSA-N 2 1 474.719 3.633 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)n2)CC1 ZINC001164401353 718853603 /nfs/dbraw/zinc/85/36/03/718853603.db2.gz BDIKOHHJFKURNK-XDHUDOTRSA-N 2 1 469.680 3.670 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(c3ncnc4c3CC[NH2+]CC4)C(C)C)c2c1C ZINC001164660408 719344949 /nfs/dbraw/zinc/34/49/49/719344949.db2.gz HOLDHTZXAZYQHJ-UHFFFAOYSA-N 2 1 451.644 3.929 20 0 JHADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665372 719357829 /nfs/dbraw/zinc/35/78/29/719357829.db2.gz VPAOUDUMWFEKOT-HOFKKMOUSA-N 2 1 479.673 3.608 20 0 JHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665372 719357830 /nfs/dbraw/zinc/35/78/30/719357830.db2.gz VPAOUDUMWFEKOT-HOFKKMOUSA-N 2 1 479.673 3.608 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164681623 719623390 /nfs/dbraw/zinc/62/33/90/719623390.db2.gz JOGOLLCHEBIBBZ-UHFFFAOYSA-N 2 1 456.953 3.798 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)Nc3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164681623 719623396 /nfs/dbraw/zinc/62/33/96/719623396.db2.gz JOGOLLCHEBIBBZ-UHFFFAOYSA-N 2 1 456.953 3.798 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680163 719638543 /nfs/dbraw/zinc/63/85/43/719638543.db2.gz QULIGOWMRFIVHF-UHFFFAOYSA-N 3 1 455.676 3.822 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680163 719638555 /nfs/dbraw/zinc/63/85/55/719638555.db2.gz QULIGOWMRFIVHF-UHFFFAOYSA-N 3 1 455.676 3.822 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827805 720323307 /nfs/dbraw/zinc/32/33/07/720323307.db2.gz ISBLVXCFTFWCEJ-RPWUZVMVSA-N 2 1 476.600 3.530 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164838332 720724935 /nfs/dbraw/zinc/72/49/35/720724935.db2.gz IBPRCXJBBPKCRZ-HSZRJFAPSA-N 3 1 450.627 3.815 20 0 JHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164838332 720724936 /nfs/dbraw/zinc/72/49/36/720724936.db2.gz IBPRCXJBBPKCRZ-HSZRJFAPSA-N 2 1 450.627 3.815 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164838332 720724937 /nfs/dbraw/zinc/72/49/37/720724937.db2.gz IBPRCXJBBPKCRZ-HSZRJFAPSA-N 2 1 450.627 3.815 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741142 720831918 /nfs/dbraw/zinc/83/19/18/720831918.db2.gz DENUVJYBSXBKBW-UMXIMWEHSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741142 720831919 /nfs/dbraw/zinc/83/19/19/720831919.db2.gz DENUVJYBSXBKBW-UMXIMWEHSA-N 2 1 486.599 3.590 20 0 JHADMP Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747236 720874326 /nfs/dbraw/zinc/87/43/26/720874326.db2.gz AUJVEJLJZXRVES-RPLLCQBOSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164747236 720874327 /nfs/dbraw/zinc/87/43/27/720874327.db2.gz AUJVEJLJZXRVES-RPLLCQBOSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]1 ZINC001164747236 720874332 /nfs/dbraw/zinc/87/43/32/720874332.db2.gz AUJVEJLJZXRVES-RPLLCQBOSA-N 2 1 462.642 3.535 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]2C1 ZINC001164861442 720876420 /nfs/dbraw/zinc/87/64/20/720876420.db2.gz PNOVVPAKGOZKHX-KCZVDYSFSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@@H](C)C5)CC[C@@H]2C1 ZINC001164861442 720876421 /nfs/dbraw/zinc/87/64/21/720876421.db2.gz PNOVVPAKGOZKHX-KCZVDYSFSA-N 2 1 499.725 3.585 20 0 JHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755861 720881362 /nfs/dbraw/zinc/88/13/62/720881362.db2.gz ZDJNNFKSVXUJFX-WNCULLNHSA-N 2 1 497.087 3.747 20 0 JHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751723 720901114 /nfs/dbraw/zinc/90/11/14/720901114.db2.gz DDERNGUTZUXULT-GGXMVOPNSA-N 2 1 491.680 3.706 20 0 JHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164908846 721751151 /nfs/dbraw/zinc/75/11/51/721751151.db2.gz LVLUIYHGHQIHEG-UHFFFAOYSA-N 2 1 452.990 3.780 20 0 JHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164908846 721751161 /nfs/dbraw/zinc/75/11/61/721751161.db2.gz LVLUIYHGHQIHEG-UHFFFAOYSA-N 2 1 452.990 3.780 20 0 JHADMP Cc1ccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960564 722025371 /nfs/dbraw/zinc/02/53/71/722025371.db2.gz KOBDRCGBPTZFNZ-UFHPHHKVSA-N 2 1 470.621 3.788 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)CC[N@H+]1CCOC ZINC001306633422 1069336669 /nfs/dbraw/zinc/33/66/69/1069336669.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001306633422 1069336686 /nfs/dbraw/zinc/33/66/86/1069336686.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)CC[NH+]1CCOC ZINC001306633422 1069336701 /nfs/dbraw/zinc/33/67/01/1069336701.db2.gz BMWAYSZNOHNAEL-CJRSTVEYSA-N 2 1 490.737 3.618 20 0 JHADMP CC[C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001311395271 1069359700 /nfs/dbraw/zinc/35/97/00/1069359700.db2.gz DLYIENJCECTEKR-ATKRNPRHSA-N 2 1 452.565 3.928 20 0 JHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC001311497912 1069406887 /nfs/dbraw/zinc/40/68/87/1069406887.db2.gz SGCQHZLBVWKYPC-LVXARBLLSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001311497912 1069406899 /nfs/dbraw/zinc/40/68/99/1069406899.db2.gz SGCQHZLBVWKYPC-LVXARBLLSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001311497912 1069406936 /nfs/dbraw/zinc/40/69/36/1069406936.db2.gz SGCQHZLBVWKYPC-LVXARBLLSA-N 2 1 450.627 3.627 20 0 JHADMP CN(C(=O)N[C@@H](COc1ccccc1F)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001311526633 1069424124 /nfs/dbraw/zinc/42/41/24/1069424124.db2.gz XUXBZIBACKCSLU-UPVQGACJSA-N 2 1 454.590 3.756 20 0 JHADMP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574367 1069445086 /nfs/dbraw/zinc/44/50/86/1069445086.db2.gz RVGPBBNUDYUJMP-ILBGXUMGSA-N 2 1 450.627 3.996 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001306779692 1069576134 /nfs/dbraw/zinc/57/61/34/1069576134.db2.gz IMAKEMZMMPIDIF-VWLOTQADSA-N 2 1 481.733 3.562 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786685 1069589856 /nfs/dbraw/zinc/58/98/56/1069589856.db2.gz YOFDMVWZAHFZBL-YKSBVNFPSA-N 2 1 465.621 3.950 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786684 1069590004 /nfs/dbraw/zinc/59/00/04/1069590004.db2.gz YOFDMVWZAHFZBL-RDPSFJRHSA-N 2 1 465.621 3.950 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169068 1069675549 /nfs/dbraw/zinc/67/55/49/1069675549.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2CC[NH+](CC)C2)cc1OC ZINC001314169068 1069675552 /nfs/dbraw/zinc/67/55/52/1069675552.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@H]2CC[NH+](CC)C2)cc1OC ZINC001314169068 1069675554 /nfs/dbraw/zinc/67/55/54/1069675554.db2.gz TWJPGTSAJBQZOW-HBMCJLEFSA-N 2 1 470.662 3.613 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001312065590 1069701387 /nfs/dbraw/zinc/70/13/87/1069701387.db2.gz SVOHXMNNXZEVEH-LGVFNWMJSA-N 2 1 455.672 3.641 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001312065590 1069701392 /nfs/dbraw/zinc/70/13/92/1069701392.db2.gz SVOHXMNNXZEVEH-LGVFNWMJSA-N 2 1 455.672 3.641 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3CC[NH+]3CCCCC3)CC2)cc1 ZINC001314187253 1069741891 /nfs/dbraw/zinc/74/18/91/1069741891.db2.gz AVVZCRJBHJQERG-QFIPXVFZSA-N 2 1 454.663 3.998 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[NH+]3CCCCC3)CC2)cc1 ZINC001314189125 1069746497 /nfs/dbraw/zinc/74/64/97/1069746497.db2.gz QHSAWRPWNBBOOT-UHFFFAOYSA-N 2 1 454.663 3.782 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044571 1069777958 /nfs/dbraw/zinc/77/79/58/1069777958.db2.gz RCVFUGTYJGULGI-TZRRMPRUSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044571 1069777971 /nfs/dbraw/zinc/77/79/71/1069777971.db2.gz RCVFUGTYJGULGI-TZRRMPRUSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044571 1069777982 /nfs/dbraw/zinc/77/79/82/1069777982.db2.gz RCVFUGTYJGULGI-TZRRMPRUSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001307048958 1069795215 /nfs/dbraw/zinc/79/52/15/1069795215.db2.gz DMSIKPMNHQVPLX-DEOSSOPVSA-N 2 1 468.690 3.921 20 0 JHADMP CO[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC001312237919 1069799765 /nfs/dbraw/zinc/79/97/65/1069799765.db2.gz ZAYGHXYVHZWBBN-QHCPKHFHSA-N 2 1 451.055 3.865 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307051914 1069805933 /nfs/dbraw/zinc/80/59/33/1069805933.db2.gz NXMDWOHNYCGLKW-OYRHEFFESA-N 2 1 468.694 3.802 20 0 JHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC001307594556 1070071182 /nfs/dbraw/zinc/07/11/82/1070071182.db2.gz WHOUNLXRHUBRDW-VANUSSGQSA-N 2 1 453.602 3.883 20 0 JHADMP CCOCc1nnc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001314303529 1070089163 /nfs/dbraw/zinc/08/91/63/1070089163.db2.gz RYISJODFLKSGGE-ISKFKSNPSA-N 2 1 454.663 3.790 20 0 JHADMP CCOCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302431 1070087259 /nfs/dbraw/zinc/08/72/59/1070087259.db2.gz IUMMXRDUUPNDHA-GGAORHGYSA-N 2 1 454.663 3.788 20 0 JHADMP CCOCc1nnc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001314302432 1070087311 /nfs/dbraw/zinc/08/73/11/1070087311.db2.gz IUMMXRDUUPNDHA-GMAHTHKFSA-N 2 1 454.663 3.788 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995151 1070217269 /nfs/dbraw/zinc/21/72/69/1070217269.db2.gz SYMIGDOWMUIZBD-DHLKQENFSA-N 3 1 457.707 3.591 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995151 1070217278 /nfs/dbraw/zinc/21/72/78/1070217278.db2.gz SYMIGDOWMUIZBD-DHLKQENFSA-N 3 1 457.707 3.591 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995152 1070217456 /nfs/dbraw/zinc/21/74/56/1070217456.db2.gz SYMIGDOWMUIZBD-WIOPSUGQSA-N 3 1 457.707 3.591 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001312995152 1070217462 /nfs/dbraw/zinc/21/74/62/1070217462.db2.gz SYMIGDOWMUIZBD-WIOPSUGQSA-N 3 1 457.707 3.591 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC001313175883 1070282305 /nfs/dbraw/zinc/28/23/05/1070282305.db2.gz PXEPBLYYZAAXJU-DEOSSOPVSA-N 2 1 459.034 3.623 20 0 JHADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC001313175883 1070282317 /nfs/dbraw/zinc/28/23/17/1070282317.db2.gz PXEPBLYYZAAXJU-DEOSSOPVSA-N 2 1 459.034 3.623 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305259 /nfs/dbraw/zinc/30/52/59/1070305259.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 2 1 472.674 3.512 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001308078422 1070305279 /nfs/dbraw/zinc/30/52/79/1070305279.db2.gz ROKUOEOTTFOEIN-ISKFKSNPSA-N 2 1 472.674 3.512 20 0 JHADMP C[NH+](C)C[C@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263600 1070309865 /nfs/dbraw/zinc/30/98/65/1070309865.db2.gz SMQJLXYNSWKLJL-QHCPKHFHSA-N 2 1 459.034 3.923 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC001313340163 1070331355 /nfs/dbraw/zinc/33/13/55/1070331355.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340163 1070331376 /nfs/dbraw/zinc/33/13/76/1070331376.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001313340163 1070331396 /nfs/dbraw/zinc/33/13/96/1070331396.db2.gz BJIIOSKEGIACEH-CLJLJLNGSA-N 2 1 456.675 3.614 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313449474 1070374824 /nfs/dbraw/zinc/37/48/24/1070374824.db2.gz GEPMGFUTPUAFBG-ZDXQCDESSA-N 2 1 460.711 3.677 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313449474 1070374845 /nfs/dbraw/zinc/37/48/45/1070374845.db2.gz GEPMGFUTPUAFBG-ZDXQCDESSA-N 2 1 460.711 3.677 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313449474 1070374863 /nfs/dbraw/zinc/37/48/63/1070374863.db2.gz GEPMGFUTPUAFBG-ZDXQCDESSA-N 2 1 460.711 3.677 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314498963 1070426452 /nfs/dbraw/zinc/42/64/52/1070426452.db2.gz HURJGLOPHXJPQY-HSZRJFAPSA-N 2 1 482.717 3.846 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314498963 1070426456 /nfs/dbraw/zinc/42/64/56/1070426456.db2.gz HURJGLOPHXJPQY-HSZRJFAPSA-N 2 1 482.717 3.846 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876163 1070453234 /nfs/dbraw/zinc/45/32/34/1070453234.db2.gz JXOSDIHKYJETLS-QUCCMNQESA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876163 1070453237 /nfs/dbraw/zinc/45/32/37/1070453237.db2.gz JXOSDIHKYJETLS-QUCCMNQESA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876163 1070453241 /nfs/dbraw/zinc/45/32/41/1070453241.db2.gz JXOSDIHKYJETLS-QUCCMNQESA-N 2 1 456.578 3.923 20 0 JHADMP CC1CC[NH+](CCCNS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001309025495 1070492102 /nfs/dbraw/zinc/49/21/02/1070492102.db2.gz ZVIGWAOJIXPTTJ-IZZNHLLZSA-N 2 1 473.658 3.835 20 0 JHADMP CN(c1nnc(CC(C)(C)C)n1CC1([NH+](C)C)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001314692413 1070852539 /nfs/dbraw/zinc/85/25/39/1070852539.db2.gz BUIGPHAAUNCAFW-HSZRJFAPSA-N 2 1 468.690 3.688 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001313659493 1070862997 /nfs/dbraw/zinc/86/29/97/1070862997.db2.gz IHOGDRDKCITIKJ-NMVJMZGASA-N 2 1 478.689 3.928 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313665437 1070880299 /nfs/dbraw/zinc/88/02/99/1070880299.db2.gz DVMKBLNEYUYGRE-XZOQPEGZSA-N 2 1 454.663 3.879 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313667169 1070888046 /nfs/dbraw/zinc/88/80/46/1070888046.db2.gz JSPHCUVFYSTDNL-XPWALMASSA-N 2 1 461.743 3.592 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccsc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314711942 1070893774 /nfs/dbraw/zinc/89/37/74/1070893774.db2.gz BONIYMMQXUZORM-UHFFFAOYSA-N 2 1 488.746 3.990 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314713069 1070899583 /nfs/dbraw/zinc/89/95/83/1070899583.db2.gz CLWKGDPMLLIICU-JOCHJYFZSA-N 2 1 484.620 3.775 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001314714290 1070903524 /nfs/dbraw/zinc/90/35/24/1070903524.db2.gz RZQRSUVLDGMQFP-JOCHJYFZSA-N 2 1 476.710 3.579 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001313695094 1070958688 /nfs/dbraw/zinc/95/86/88/1070958688.db2.gz MZFYKJJVCNWJSJ-UHFFFAOYSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001313695094 1070958700 /nfs/dbraw/zinc/95/87/00/1070958700.db2.gz MZFYKJJVCNWJSJ-UHFFFAOYSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001313695094 1070958707 /nfs/dbraw/zinc/95/87/07/1070958707.db2.gz MZFYKJJVCNWJSJ-UHFFFAOYSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313694664 1070957302 /nfs/dbraw/zinc/95/73/02/1070957302.db2.gz HPQIKMUYTHSJOT-ZRBLBEILSA-N 2 1 460.711 3.851 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313696473 1070963421 /nfs/dbraw/zinc/96/34/21/1070963421.db2.gz HPLICUDCVUJZKS-QGZVFWFLSA-N 2 1 492.510 3.839 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001313721199 1071023085 /nfs/dbraw/zinc/02/30/85/1071023085.db2.gz XBXYCRUMSRBFII-VSKRKVRLSA-N 2 1 489.709 3.755 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001313721198 1071023166 /nfs/dbraw/zinc/02/31/66/1071023166.db2.gz XBXYCRUMSRBFII-FSSWDIPSSA-N 2 1 489.709 3.755 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001313721197 1071023315 /nfs/dbraw/zinc/02/33/15/1071023315.db2.gz XBXYCRUMSRBFII-FKBYEOEOSA-N 2 1 489.709 3.755 20 0 JHADMP CC(=O)Nc1ccc(Cl)c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC001310173175 1071178545 /nfs/dbraw/zinc/17/85/45/1071178545.db2.gz ADWVFQQHAXYLKT-UHFFFAOYSA-N 2 1 450.027 3.958 20 0 JHADMP CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313807737 1071229433 /nfs/dbraw/zinc/22/94/33/1071229433.db2.gz XDLFXPZGKADLSX-QHCPKHFHSA-N 2 1 480.579 3.520 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313807737 1071229443 /nfs/dbraw/zinc/22/94/43/1071229443.db2.gz XDLFXPZGKADLSX-QHCPKHFHSA-N 2 1 480.579 3.520 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313858872 1071361522 /nfs/dbraw/zinc/36/15/22/1071361522.db2.gz CWIXMIOXSHMZSL-HSALFYBXSA-N 2 1 458.651 3.612 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859340 1071363820 /nfs/dbraw/zinc/36/38/20/1071363820.db2.gz GABJVPTUNUCMDZ-RBUKOAKNSA-N 2 1 492.615 3.576 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313865913 1071394411 /nfs/dbraw/zinc/39/44/11/1071394411.db2.gz IWICSRXZRUETOO-RTWAWAEBSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313866143 1071394965 /nfs/dbraw/zinc/39/49/65/1071394965.db2.gz DCRCZJGUEBKEBM-MSOLQXFVSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313866143 1071394978 /nfs/dbraw/zinc/39/49/78/1071394978.db2.gz DCRCZJGUEBKEBM-MSOLQXFVSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313866146 1071395123 /nfs/dbraw/zinc/39/51/23/1071395123.db2.gz DCRCZJGUEBKEBM-ZWKOTPCHSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313866146 1071395130 /nfs/dbraw/zinc/39/51/30/1071395130.db2.gz DCRCZJGUEBKEBM-ZWKOTPCHSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396551 /nfs/dbraw/zinc/39/65/51/1071396551.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396560 /nfs/dbraw/zinc/39/65/60/1071396560.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866902 1071396568 /nfs/dbraw/zinc/39/65/68/1071396568.db2.gz HRDNRBGTGWGTPW-PKTZIBPZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403223 /nfs/dbraw/zinc/40/32/23/1071403223.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403225 /nfs/dbraw/zinc/40/32/25/1071403225.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868181 1071403226 /nfs/dbraw/zinc/40/32/26/1071403226.db2.gz BEFUIMVTJQBMEX-PKTZIBPZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868511 1071404411 /nfs/dbraw/zinc/40/44/11/1071404411.db2.gz NWHONMXFJQGGRO-XZOQPEGZSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313869698 1071409215 /nfs/dbraw/zinc/40/92/15/1071409215.db2.gz QLJKXOZLGWTBMK-DXIQSLLYSA-N 2 1 482.629 3.777 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313870437 1071413361 /nfs/dbraw/zinc/41/33/61/1071413361.db2.gz RRYGOFPZWYZJBQ-PMACEKPBSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414314 /nfs/dbraw/zinc/41/43/14/1071414314.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414315 /nfs/dbraw/zinc/41/43/15/1071414315.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313870645 1071414316 /nfs/dbraw/zinc/41/43/16/1071414316.db2.gz VFSUCCOSJKBNMQ-DYXWJJEUSA-N 2 1 459.708 3.673 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871563 1071417522 /nfs/dbraw/zinc/41/75/22/1071417522.db2.gz UKPLFYBWCMWGRR-ROUUACIJSA-N 2 1 479.044 3.767 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@@H]1C ZINC001313872804 1071422174 /nfs/dbraw/zinc/42/21/74/1071422174.db2.gz XIZKWPBUFKVKRR-FCHUYYIVSA-N 2 1 460.711 3.819 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874873 1071431459 /nfs/dbraw/zinc/43/14/59/1071431459.db2.gz QRMQLSTWYDEFHU-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441580 /nfs/dbraw/zinc/44/15/80/1071441580.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441585 /nfs/dbraw/zinc/44/15/85/1071441585.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001313877430 1071441590 /nfs/dbraw/zinc/44/15/90/1071441590.db2.gz TZXMLXWULVFOKY-ACRUOGEOSA-N 2 1 490.643 3.567 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443878 /nfs/dbraw/zinc/44/38/78/1071443878.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443884 /nfs/dbraw/zinc/44/38/84/1071443884.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313877959 1071443890 /nfs/dbraw/zinc/44/38/90/1071443890.db2.gz YAOQUWYXVRGFNI-CZYKHXBRSA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001313885494 1071467091 /nfs/dbraw/zinc/46/70/91/1071467091.db2.gz CPVVPCCYNLJRQP-FQEVSTJZSA-N 2 1 475.081 3.735 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccccc3Cl)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001313885494 1071467102 /nfs/dbraw/zinc/46/71/02/1071467102.db2.gz CPVVPCCYNLJRQP-FQEVSTJZSA-N 2 1 475.081 3.735 20 0 JHADMP CC[N@@H+]1CC[C@H](Cn2c(N3CC[NH+](Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896043 1071498776 /nfs/dbraw/zinc/49/87/76/1071498776.db2.gz CIFWTOQTPZDRBW-NRFANRHFSA-N 2 1 454.663 3.557 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(N3CC[NH+](Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896043 1071498778 /nfs/dbraw/zinc/49/87/78/1071498778.db2.gz CIFWTOQTPZDRBW-NRFANRHFSA-N 2 1 454.663 3.557 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929260 1071586582 /nfs/dbraw/zinc/58/65/82/1071586582.db2.gz FVQNHCDLCSFTDA-UXHICEINSA-N 2 1 491.080 3.713 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930245 1071588906 /nfs/dbraw/zinc/58/89/06/1071588906.db2.gz AOVGJRGCJZBCAU-GHTZIAJQSA-N 2 1 492.510 3.697 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591131 /nfs/dbraw/zinc/59/11/31/1071591131.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591136 /nfs/dbraw/zinc/59/11/36/1071591136.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313931183 1071591138 /nfs/dbraw/zinc/59/11/38/1071591138.db2.gz BKABDMYQDCDTIW-DHIUTWEWSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594235 /nfs/dbraw/zinc/59/42/35/1071594235.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594239 /nfs/dbraw/zinc/59/42/39/1071594239.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313932013 1071594244 /nfs/dbraw/zinc/59/42/44/1071594244.db2.gz GQVWCVFUQOHCOJ-SQNIBIBYSA-N 2 1 478.483 3.687 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600364 /nfs/dbraw/zinc/60/03/64/1071600364.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 2 1 479.467 3.587 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600368 /nfs/dbraw/zinc/60/03/68/1071600368.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 2 1 479.467 3.587 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313934090 1071600371 /nfs/dbraw/zinc/60/03/71/1071600371.db2.gz SDNLMBCNCMVBFE-QGZVFWFLSA-N 2 1 479.467 3.587 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001313934198 1071601049 /nfs/dbraw/zinc/60/10/49/1071601049.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 2 1 461.452 3.722 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC001313934198 1071601053 /nfs/dbraw/zinc/60/10/53/1071601053.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 2 1 461.452 3.722 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC001313934198 1071601059 /nfs/dbraw/zinc/60/10/59/1071601059.db2.gz QLMFSGWRLASCCP-KRWDZBQOSA-N 2 1 461.452 3.722 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C[C@H]1C ZINC001313934722 1071602918 /nfs/dbraw/zinc/60/29/18/1071602918.db2.gz VCVCCTUTSYJMJP-XMSQKQJNSA-N 2 1 452.603 3.688 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934988 1071604336 /nfs/dbraw/zinc/60/43/36/1071604336.db2.gz UKJKECHEHKZOTF-YKSBVNFPSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607107 /nfs/dbraw/zinc/60/71/07/1071607107.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607109 /nfs/dbraw/zinc/60/71/09/1071607109.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313935850 1071607113 /nfs/dbraw/zinc/60/71/13/1071607113.db2.gz JRNTXHJIGKGKTH-FCHUYYIVSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313946570 1071629308 /nfs/dbraw/zinc/62/93/08/1071629308.db2.gz BLFUUDQTJPNXOW-UPVQGACJSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313946570 1071629312 /nfs/dbraw/zinc/62/93/12/1071629312.db2.gz BLFUUDQTJPNXOW-UPVQGACJSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313948568 1071633853 /nfs/dbraw/zinc/63/38/53/1071633853.db2.gz LBVSNBVFUJMVSV-NRFANRHFSA-N 2 1 470.662 3.661 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313951139 1071641094 /nfs/dbraw/zinc/64/10/94/1071641094.db2.gz ZYVXWFCQIMGLGQ-NRFANRHFSA-N 2 1 470.662 3.661 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313955729 1071656115 /nfs/dbraw/zinc/65/61/15/1071656115.db2.gz ZMHUIXZWGMGVLW-UHFFFAOYSA-N 2 1 488.124 3.937 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313955729 1071656120 /nfs/dbraw/zinc/65/61/20/1071656120.db2.gz ZMHUIXZWGMGVLW-UHFFFAOYSA-N 2 1 488.124 3.937 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313955729 1071656127 /nfs/dbraw/zinc/65/61/27/1071656127.db2.gz ZMHUIXZWGMGVLW-UHFFFAOYSA-N 2 1 488.124 3.937 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313959089 1071665868 /nfs/dbraw/zinc/66/58/68/1071665868.db2.gz ZFZDVKQAZVPFDY-VWLOTQADSA-N 2 1 495.760 3.648 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@H+]2CCCC[C@@H]2CC)cc1 ZINC001305951433 1068275452 /nfs/dbraw/zinc/27/54/52/1068275452.db2.gz VFZHLHHIFUDWNE-DEOSSOPVSA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2CC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC001305951433 1068275463 /nfs/dbraw/zinc/27/54/63/1068275463.db2.gz VFZHLHHIFUDWNE-DEOSSOPVSA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001305985077 1068333797 /nfs/dbraw/zinc/33/37/97/1068333797.db2.gz DOWYKQDBLFZDIV-RTWAWAEBSA-N 2 1 454.663 3.680 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC[C@H]2CC)CC[NH+]1CCOC ZINC001306319824 1068746037 /nfs/dbraw/zinc/74/60/37/1068746037.db2.gz NMYNTAJWPLPOLP-FGZHOGPDSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001306319824 1068746042 /nfs/dbraw/zinc/74/60/42/1068746042.db2.gz NMYNTAJWPLPOLP-FGZHOGPDSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001306319824 1068746050 /nfs/dbraw/zinc/74/60/50/1068746050.db2.gz NMYNTAJWPLPOLP-FGZHOGPDSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC001306390397 1068828097 /nfs/dbraw/zinc/82/80/97/1068828097.db2.gz RPJWMIINQVTUDR-ZRBLBEILSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC001306390397 1068828115 /nfs/dbraw/zinc/82/81/15/1068828115.db2.gz RPJWMIINQVTUDR-ZRBLBEILSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306408403 1068885193 /nfs/dbraw/zinc/88/51/93/1068885193.db2.gz ILDFTPFWJCWHJT-LJQANCHMSA-N 2 1 481.472 3.895 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001306434923 1068938652 /nfs/dbraw/zinc/93/86/52/1068938652.db2.gz SOHYFCUYCMLSAA-YADHBBJMSA-N 2 1 460.711 3.536 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001310911763 1069219162 /nfs/dbraw/zinc/21/91/62/1069219162.db2.gz LSURGTWRWMDEOA-LBPRGKRZSA-N 2 1 455.319 3.741 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC001310911763 1069219176 /nfs/dbraw/zinc/21/91/76/1069219176.db2.gz LSURGTWRWMDEOA-LBPRGKRZSA-N 2 1 455.319 3.741 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001306620435 1069306452 /nfs/dbraw/zinc/30/64/52/1069306452.db2.gz OYUCXSMAACWVCF-NRFANRHFSA-N 2 1 490.718 3.611 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c23)C1 ZINC001164404106 718864203 /nfs/dbraw/zinc/86/42/03/718864203.db2.gz ACLFTSOXQGMLJQ-QWFCFKBJSA-N 2 1 455.672 3.617 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164415076 718880833 /nfs/dbraw/zinc/88/08/33/718880833.db2.gz ZYEAWJQHBDOACR-FXAWDEMLSA-N 2 1 497.606 3.534 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164415076 718880834 /nfs/dbraw/zinc/88/08/34/718880834.db2.gz ZYEAWJQHBDOACR-FXAWDEMLSA-N 2 1 497.606 3.534 20 0 JHADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164620797 719017545 /nfs/dbraw/zinc/01/75/45/719017545.db2.gz ZMMDEKYODVNVLV-JYBIWHBTSA-N 2 1 483.682 3.532 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823505 720339133 /nfs/dbraw/zinc/33/91/33/720339133.db2.gz GKRMAUFKDFIEND-FCHUYYIVSA-N 2 1 496.725 3.815 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747365 720908448 /nfs/dbraw/zinc/90/84/48/720908448.db2.gz CTBYEPYGHKFFMX-XTEPFMGCSA-N 2 1 461.654 3.828 20 0 JHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750174 720909252 /nfs/dbraw/zinc/90/92/52/720909252.db2.gz JNWWOEZAHQEMIU-SQHAQQRYSA-N 2 1 462.642 3.617 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750174 720909267 /nfs/dbraw/zinc/90/92/67/720909267.db2.gz JNWWOEZAHQEMIU-SQHAQQRYSA-N 2 1 462.642 3.617 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753133 720930628 /nfs/dbraw/zinc/93/06/28/720930628.db2.gz QHSRBAVRUNYXSD-SVEHJYQDSA-N 2 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753133 720930633 /nfs/dbraw/zinc/93/06/33/720930633.db2.gz QHSRBAVRUNYXSD-SVEHJYQDSA-N 3 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753133 720930640 /nfs/dbraw/zinc/93/06/40/720930640.db2.gz QHSRBAVRUNYXSD-SVEHJYQDSA-N 3 1 491.680 3.705 20 0 JHADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164808890 721591882 /nfs/dbraw/zinc/59/18/82/721591882.db2.gz RGLSKFCTJDTTAL-YTFSRNRJSA-N 2 1 489.998 3.920 20 0 JHADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@@H]12 ZINC001164808890 721591883 /nfs/dbraw/zinc/59/18/83/721591883.db2.gz RGLSKFCTJDTTAL-YTFSRNRJSA-N 2 1 489.998 3.920 20 0 JHADMP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164912275 721737414 /nfs/dbraw/zinc/73/74/14/721737414.db2.gz NPTCIPZJNVHGHN-XMMPIXPASA-N 2 1 457.569 3.593 20 0 JHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)cc1 ZINC001164943539 721933689 /nfs/dbraw/zinc/93/36/89/721933689.db2.gz PNPFPYITWDHMGN-UHFFFAOYSA-N 2 1 450.627 3.640 20 0 JHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164964624 722057264 /nfs/dbraw/zinc/05/72/64/722057264.db2.gz WCNDHTFLQAFEGY-UHFFFAOYSA-N 2 1 456.034 3.845 20 0 JHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164964624 722057265 /nfs/dbraw/zinc/05/72/65/722057265.db2.gz WCNDHTFLQAFEGY-UHFFFAOYSA-N 2 1 456.034 3.845 20 0 JHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@@H+](CC6CC6)C[C@H](C3)O5)n2)CCC4)CC1 ZINC001164967154 722075704 /nfs/dbraw/zinc/07/57/04/722075704.db2.gz LOKFWINBFPSHQQ-BGYRXZFFSA-N 2 1 467.683 3.711 20 0 JHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[N@H+](CC6CC6)C[C@H](C3)O5)n2)CCC4)CC1 ZINC001164967154 722075705 /nfs/dbraw/zinc/07/57/05/722075705.db2.gz LOKFWINBFPSHQQ-BGYRXZFFSA-N 2 1 467.683 3.711 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306626478 1069322614 /nfs/dbraw/zinc/32/26/14/1069322614.db2.gz YYUBHOHFRWTOCE-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306626478 1069322625 /nfs/dbraw/zinc/32/26/25/1069322625.db2.gz YYUBHOHFRWTOCE-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306626478 1069322642 /nfs/dbraw/zinc/32/26/42/1069322642.db2.gz YYUBHOHFRWTOCE-XQUALCHDSA-N 2 1 476.710 3.577 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357598 1069341057 /nfs/dbraw/zinc/34/10/57/1069341057.db2.gz JVENAXOZTSLWSS-GJZUVCINSA-N 2 1 451.659 3.623 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306677716 1069401812 /nfs/dbraw/zinc/40/18/12/1069401812.db2.gz BGCLOXIFECBYJO-WIOPSUGQSA-N 2 1 478.751 3.558 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001306680729 1069407603 /nfs/dbraw/zinc/40/76/03/1069407603.db2.gz ZYIUHVLNNQCINY-QFIPXVFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001306680729 1069407613 /nfs/dbraw/zinc/40/76/13/1069407613.db2.gz ZYIUHVLNNQCINY-QFIPXVFZSA-N 2 1 454.663 3.614 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311577246 1069446323 /nfs/dbraw/zinc/44/63/23/1069446323.db2.gz SEJWNHNBOFFOBA-VABKMULXSA-N 2 1 456.656 3.864 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311577246 1069446328 /nfs/dbraw/zinc/44/63/28/1069446328.db2.gz SEJWNHNBOFFOBA-VABKMULXSA-N 2 1 456.656 3.864 20 0 JHADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2)oc1C ZINC001311595412 1069456764 /nfs/dbraw/zinc/45/67/64/1069456764.db2.gz RYEPPRCRRQKHFE-UHFFFAOYSA-N 2 1 453.631 3.989 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC001306787394 1069591263 /nfs/dbraw/zinc/59/12/63/1069591263.db2.gz CJKJABPWDHERRY-FIXSFTCYSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306787394 1069591270 /nfs/dbraw/zinc/59/12/70/1069591270.db2.gz CJKJABPWDHERRY-FIXSFTCYSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306787394 1069591275 /nfs/dbraw/zinc/59/12/75/1069591275.db2.gz CJKJABPWDHERRY-FIXSFTCYSA-N 2 1 453.679 3.552 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956043 1069634700 /nfs/dbraw/zinc/63/47/00/1069634700.db2.gz FXHQKLXSOQIUPC-RCZVLFRGSA-N 2 1 450.627 3.729 20 0 JHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001312036271 1069686948 /nfs/dbraw/zinc/68/69/48/1069686948.db2.gz XNVQKPSFUPDEAN-UHFFFAOYSA-N 2 1 454.615 3.602 20 0 JHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001312036271 1069686952 /nfs/dbraw/zinc/68/69/52/1069686952.db2.gz XNVQKPSFUPDEAN-UHFFFAOYSA-N 2 1 454.615 3.602 20 0 JHADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066199 1069702584 /nfs/dbraw/zinc/70/25/84/1069702584.db2.gz JLQKNCVRNUFNOY-RZFJZAQRSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066199 1069702597 /nfs/dbraw/zinc/70/25/97/1069702597.db2.gz JLQKNCVRNUFNOY-RZFJZAQRSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312066199 1069702610 /nfs/dbraw/zinc/70/26/10/1069702610.db2.gz JLQKNCVRNUFNOY-RZFJZAQRSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312066199 1069702618 /nfs/dbraw/zinc/70/26/18/1069702618.db2.gz JLQKNCVRNUFNOY-RZFJZAQRSA-N 2 1 452.643 3.732 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001307031651 1069741316 /nfs/dbraw/zinc/74/13/16/1069741316.db2.gz MHSOKRKMOKKAEV-RTBURBONSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001307031651 1069741326 /nfs/dbraw/zinc/74/13/26/1069741326.db2.gz MHSOKRKMOKKAEV-RTBURBONSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001307031651 1069741331 /nfs/dbraw/zinc/74/13/31/1069741331.db2.gz MHSOKRKMOKKAEV-RTBURBONSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001307031648 1069741475 /nfs/dbraw/zinc/74/14/75/1069741475.db2.gz MHSOKRKMOKKAEV-MOPGFXCFSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001307031648 1069741486 /nfs/dbraw/zinc/74/14/86/1069741486.db2.gz MHSOKRKMOKKAEV-MOPGFXCFSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001307031648 1069741494 /nfs/dbraw/zinc/74/14/94/1069741494.db2.gz MHSOKRKMOKKAEV-MOPGFXCFSA-N 2 1 479.044 3.626 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307047849 1069791990 /nfs/dbraw/zinc/79/19/90/1069791990.db2.gz BVLIRCUCZGGZLA-ZRZAMGCNSA-N 2 1 467.706 3.943 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001307050369 1069800033 /nfs/dbraw/zinc/80/00/33/1069800033.db2.gz RCMJLBGGXNETTJ-SQJMNOBHSA-N 2 1 468.690 3.717 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001307049161 1069796728 /nfs/dbraw/zinc/79/67/28/1069796728.db2.gz IDFKKWPIVQKQHV-UHFFFAOYSA-N 2 1 488.124 3.935 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001307049161 1069796737 /nfs/dbraw/zinc/79/67/37/1069796737.db2.gz IDFKKWPIVQKQHV-UHFFFAOYSA-N 2 1 488.124 3.935 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001307049161 1069796754 /nfs/dbraw/zinc/79/67/54/1069796754.db2.gz IDFKKWPIVQKQHV-UHFFFAOYSA-N 2 1 488.124 3.935 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307052072 1069806876 /nfs/dbraw/zinc/80/68/76/1069806876.db2.gz XXODMVNXGIVICU-TZRRMPRUSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001307052072 1069806900 /nfs/dbraw/zinc/80/69/00/1069806900.db2.gz XXODMVNXGIVICU-TZRRMPRUSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001307052072 1069806922 /nfs/dbraw/zinc/80/69/22/1069806922.db2.gz XXODMVNXGIVICU-TZRRMPRUSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001307055558 1069822678 /nfs/dbraw/zinc/82/26/78/1069822678.db2.gz QCXANSRAOWTJDC-QHCPKHFHSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001307055558 1069822701 /nfs/dbraw/zinc/82/27/01/1069822701.db2.gz QCXANSRAOWTJDC-QHCPKHFHSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001307055558 1069822722 /nfs/dbraw/zinc/82/27/22/1069822722.db2.gz QCXANSRAOWTJDC-QHCPKHFHSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001307055558 1069822743 /nfs/dbraw/zinc/82/27/43/1069822743.db2.gz QCXANSRAOWTJDC-QHCPKHFHSA-N 2 1 454.663 3.757 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC001307641631 1070096887 /nfs/dbraw/zinc/09/68/87/1070096887.db2.gz YDOCRKBWINQDDY-MHZLTWQESA-N 2 1 451.611 3.787 20 0 JHADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657051 1070106330 /nfs/dbraw/zinc/10/63/30/1070106330.db2.gz GRWIXLXPCMBOGY-ACRUOGEOSA-N 2 1 453.627 3.936 20 0 JHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189713 /nfs/dbraw/zinc/18/97/13/1070189713.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 2 1 458.444 3.966 20 0 JHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189719 /nfs/dbraw/zinc/18/97/19/1070189719.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 2 1 458.444 3.966 20 0 JHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189725 /nfs/dbraw/zinc/18/97/25/1070189725.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 2 1 458.444 3.966 20 0 JHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189729 /nfs/dbraw/zinc/18/97/29/1070189729.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 2 1 458.444 3.966 20 0 JHADMP CCOCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001314384927 1070229971 /nfs/dbraw/zinc/22/99/71/1070229971.db2.gz LKYZXYULVNFTNG-QHCPKHFHSA-N 2 1 454.663 3.646 20 0 JHADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232066 /nfs/dbraw/zinc/23/20/66/1070232066.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232084 /nfs/dbraw/zinc/23/20/84/1070232084.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232098 /nfs/dbraw/zinc/23/20/98/1070232098.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040779 1070232112 /nfs/dbraw/zinc/23/21/12/1070232112.db2.gz UUKCCPRHVUKXGF-RUZDIDTESA-N 2 1 450.627 3.823 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314400141 1070260925 /nfs/dbraw/zinc/26/09/25/1070260925.db2.gz QCQMZBRNUOAVFQ-QHCPKHFHSA-N 2 1 454.663 3.566 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001313175160 1070281122 /nfs/dbraw/zinc/28/11/22/1070281122.db2.gz FYPXMUQBWHZGHD-SANMLTNESA-N 2 1 450.627 3.502 20 0 JHADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC001313175160 1070281132 /nfs/dbraw/zinc/28/11/32/1070281132.db2.gz FYPXMUQBWHZGHD-SANMLTNESA-N 2 1 450.627 3.502 20 0 JHADMP CN1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001308349639 1070360392 /nfs/dbraw/zinc/36/03/92/1070360392.db2.gz CSVQUXZHEQQNJH-UHFFFAOYSA-N 2 1 457.062 3.899 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313449938 1070376352 /nfs/dbraw/zinc/37/63/52/1070376352.db2.gz ZVKXPYWSTBVRLD-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314497003 1070419598 /nfs/dbraw/zinc/41/95/98/1070419598.db2.gz VRZCQMJCKIBQPN-JOCHJYFZSA-N 2 1 472.653 3.611 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314497003 1070419602 /nfs/dbraw/zinc/41/96/02/1070419602.db2.gz VRZCQMJCKIBQPN-JOCHJYFZSA-N 2 1 472.653 3.611 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429678 /nfs/dbraw/zinc/42/96/78/1070429678.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429683 /nfs/dbraw/zinc/42/96/83/1070429683.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1CC ZINC001314500036 1070429689 /nfs/dbraw/zinc/42/96/89/1070429689.db2.gz RROVITPYTASUEX-JTHBVZDNSA-N 2 1 460.711 3.993 20 0 JHADMP C[NH+](C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653257 1070764724 /nfs/dbraw/zinc/76/47/24/1070764724.db2.gz LCXMXNAQFRZHCK-FCHUYYIVSA-N 2 1 458.626 3.882 20 0 JHADMP C[NH+](C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)c1cccc(F)c1 ZINC001314653258 1070765447 /nfs/dbraw/zinc/76/54/47/1070765447.db2.gz LCXMXNAQFRZHCK-FGZHOGPDSA-N 2 1 458.626 3.882 20 0 JHADMP C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)CCSC1 ZINC001314659159 1070781139 /nfs/dbraw/zinc/78/11/39/1070781139.db2.gz MRBHBQIZUAGHHF-VWLOTQADSA-N 2 1 474.694 3.765 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313644749 1070798441 /nfs/dbraw/zinc/79/84/41/1070798441.db2.gz JCMDROXAIKBBOJ-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001313644749 1070798459 /nfs/dbraw/zinc/79/84/59/1070798459.db2.gz JCMDROXAIKBBOJ-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CN(c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314665829 1070798425 /nfs/dbraw/zinc/79/84/25/1070798425.db2.gz RJJHVTCYDXHUFI-HSZRJFAPSA-N 2 1 463.674 3.972 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC[C@H]2C)CC1 ZINC001313645755 1070803132 /nfs/dbraw/zinc/80/31/32/1070803132.db2.gz OMVNOUCQCXOKGF-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCC[C@H]2C)CC1 ZINC001313645755 1070803169 /nfs/dbraw/zinc/80/31/69/1070803169.db2.gz OMVNOUCQCXOKGF-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313645755 1070803202 /nfs/dbraw/zinc/80/32/02/1070803202.db2.gz OMVNOUCQCXOKGF-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313645755 1070803232 /nfs/dbraw/zinc/80/32/32/1070803232.db2.gz OMVNOUCQCXOKGF-HSZRJFAPSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCC[C@H]2C)CC1 ZINC001313647302 1070811309 /nfs/dbraw/zinc/81/13/09/1070811309.db2.gz JQGYDYFQQRSYGL-XMMPIXPASA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCC[C@H]2C)CC1 ZINC001313647302 1070811334 /nfs/dbraw/zinc/81/13/34/1070811334.db2.gz JQGYDYFQQRSYGL-XMMPIXPASA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001313647302 1070811362 /nfs/dbraw/zinc/81/13/62/1070811362.db2.gz JQGYDYFQQRSYGL-XMMPIXPASA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313647302 1070811392 /nfs/dbraw/zinc/81/13/92/1070811392.db2.gz JQGYDYFQQRSYGL-XMMPIXPASA-N 2 1 495.716 3.590 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001313665842 1070881710 /nfs/dbraw/zinc/88/17/10/1070881710.db2.gz SDSCTXIEVCFBOA-URXFXBBRSA-N 2 1 470.662 3.581 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676306 1070920558 /nfs/dbraw/zinc/92/05/58/1070920558.db2.gz VMVJSHGTRQFQHJ-OEMFJLHTSA-N 2 1 468.690 3.816 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001313677616 1070926068 /nfs/dbraw/zinc/92/60/68/1070926068.db2.gz KXALWUUIMAPLSA-ICDZXHCJSA-N 2 1 468.690 3.717 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001313691779 1070952084 /nfs/dbraw/zinc/95/20/84/1070952084.db2.gz XALAJMVSMNLPOP-KHVXQDHOSA-N 2 1 490.737 3.750 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313727608 1071037215 /nfs/dbraw/zinc/03/72/15/1071037215.db2.gz VQZSTAKMTFKOSP-GPXOXTDOSA-N 2 1 484.737 3.961 20 0 JHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001314812166 1071108122 /nfs/dbraw/zinc/10/81/22/1071108122.db2.gz SWMNVBIYTAOXQD-HSZRJFAPSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[NH+]1CCOC(C)(C)C1 ZINC001314812166 1071108127 /nfs/dbraw/zinc/10/81/27/1071108127.db2.gz SWMNVBIYTAOXQD-HSZRJFAPSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314812166 1071108134 /nfs/dbraw/zinc/10/81/34/1071108134.db2.gz SWMNVBIYTAOXQD-HSZRJFAPSA-N 2 1 468.690 3.645 20 0 JHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314812166 1071108141 /nfs/dbraw/zinc/10/81/41/1071108141.db2.gz SWMNVBIYTAOXQD-HSZRJFAPSA-N 2 1 468.690 3.645 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(C)C ZINC001313803568 1071211785 /nfs/dbraw/zinc/21/17/85/1071211785.db2.gz SEDGDMKRFCICLS-LJQANCHMSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313807736 1071229372 /nfs/dbraw/zinc/22/93/72/1071229372.db2.gz XDLFXPZGKADLSX-HSZRJFAPSA-N 2 1 480.579 3.520 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313807736 1071229382 /nfs/dbraw/zinc/22/93/82/1071229382.db2.gz XDLFXPZGKADLSX-HSZRJFAPSA-N 2 1 480.579 3.520 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]2CCCC[C@H]2C1)CCC(F)(F)F ZINC001313808761 1071234528 /nfs/dbraw/zinc/23/45/28/1071234528.db2.gz BPFIOVKZYVORQD-IBGZPJMESA-N 2 1 465.568 3.597 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)CCC(F)(F)F ZINC001313808761 1071234538 /nfs/dbraw/zinc/23/45/38/1071234538.db2.gz BPFIOVKZYVORQD-IBGZPJMESA-N 2 1 465.568 3.597 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)CCC(F)(F)F ZINC001313808761 1071234546 /nfs/dbraw/zinc/23/45/46/1071234546.db2.gz BPFIOVKZYVORQD-IBGZPJMESA-N 2 1 465.568 3.597 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313859339 1071363667 /nfs/dbraw/zinc/36/36/67/1071363667.db2.gz GABJVPTUNUCMDZ-OALUTQOASA-N 2 1 492.615 3.576 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313859341 1071363748 /nfs/dbraw/zinc/36/37/48/1071363748.db2.gz GABJVPTUNUCMDZ-RTBURBONSA-N 2 1 492.615 3.576 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380593 /nfs/dbraw/zinc/38/05/93/1071380593.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380601 /nfs/dbraw/zinc/38/06/01/1071380601.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313863212 1071380610 /nfs/dbraw/zinc/38/06/10/1071380610.db2.gz RZGFIWLPWWGWCK-YRPNKDGESA-N 2 1 458.626 3.959 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865908 1071394367 /nfs/dbraw/zinc/39/43/67/1071394367.db2.gz IWICSRXZRUETOO-LEWJYISDSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407387 /nfs/dbraw/zinc/40/73/87/1071407387.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 2 1 460.711 3.849 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407394 /nfs/dbraw/zinc/40/73/94/1071407394.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 2 1 460.711 3.849 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313869250 1071407398 /nfs/dbraw/zinc/40/73/98/1071407398.db2.gz OZMIZEATOHFJLS-QWQGWLCTSA-N 2 1 460.711 3.849 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001313870438 1071413380 /nfs/dbraw/zinc/41/33/80/1071413380.db2.gz RRYGOFPZWYZJBQ-UXHICEINSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313873624 1071425691 /nfs/dbraw/zinc/42/56/91/1071425691.db2.gz MOUCJIBBNPLHOL-VQTJNVASSA-N 2 1 472.703 3.700 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1)C[C@H]1CCCCO1 ZINC001310489570 1071428577 /nfs/dbraw/zinc/42/85/77/1071428577.db2.gz IGFCSVBFZWNRGD-UBFVSLLYSA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313874413 1071428768 /nfs/dbraw/zinc/42/87/68/1071428768.db2.gz NVGCSYNDNLJVIX-MSOLQXFVSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313874413 1071428771 /nfs/dbraw/zinc/42/87/71/1071428771.db2.gz NVGCSYNDNLJVIX-MSOLQXFVSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428861 /nfs/dbraw/zinc/42/88/61/1071428861.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428867 /nfs/dbraw/zinc/42/88/67/1071428867.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313874504 1071428872 /nfs/dbraw/zinc/42/88/72/1071428872.db2.gz IHLCEZHFNMUAIF-OIBXWCBGSA-N 2 1 470.710 3.569 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432880 /nfs/dbraw/zinc/43/28/80/1071432880.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432885 /nfs/dbraw/zinc/43/28/85/1071432885.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875308 1071432892 /nfs/dbraw/zinc/43/28/92/1071432892.db2.gz PVIKPYMJQIEMJX-FGZHOGPDSA-N 2 1 453.679 3.837 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313875970 1071436820 /nfs/dbraw/zinc/43/68/20/1071436820.db2.gz NFXCDJLVQMZGNC-HFMPRLQTSA-N 2 1 454.663 3.733 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441665 /nfs/dbraw/zinc/44/16/65/1071441665.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441668 /nfs/dbraw/zinc/44/16/68/1071441668.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313877375 1071441671 /nfs/dbraw/zinc/44/16/71/1071441671.db2.gz STQYYKWQZPDFEH-ZFGGDYGUSA-N 2 1 468.690 3.917 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440711 /nfs/dbraw/zinc/44/07/11/1071440711.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 2 1 455.695 3.961 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440715 /nfs/dbraw/zinc/44/07/15/1071440715.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 2 1 455.695 3.961 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313877306 1071440723 /nfs/dbraw/zinc/44/07/23/1071440723.db2.gz WMTQBAWTGUAICN-ACESQOTJSA-N 2 1 455.695 3.961 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460771 /nfs/dbraw/zinc/46/07/71/1071460771.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460781 /nfs/dbraw/zinc/46/07/81/1071460781.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313883117 1071460787 /nfs/dbraw/zinc/46/07/87/1071460787.db2.gz IGCMVDORTXRBKL-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313890397 1071482526 /nfs/dbraw/zinc/48/25/26/1071482526.db2.gz YJTJLPBEVZHWFN-HSZRJFAPSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313890397 1071482534 /nfs/dbraw/zinc/48/25/34/1071482534.db2.gz YJTJLPBEVZHWFN-HSZRJFAPSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313890397 1071482541 /nfs/dbraw/zinc/48/25/41/1071482541.db2.gz YJTJLPBEVZHWFN-HSZRJFAPSA-N 2 1 456.654 3.906 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313896187 1071499416 /nfs/dbraw/zinc/49/94/16/1071499416.db2.gz NFXLCPXLXSAGAD-JOCHJYFZSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313906628 1071524777 /nfs/dbraw/zinc/52/47/77/1071524777.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313906628 1071524786 /nfs/dbraw/zinc/52/47/86/1071524786.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313906628 1071524792 /nfs/dbraw/zinc/52/47/92/1071524792.db2.gz YCBPETPDTIROQV-BHIFYINESA-N 2 1 488.652 3.589 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313906629 1071524872 /nfs/dbraw/zinc/52/48/72/1071524872.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313906629 1071524882 /nfs/dbraw/zinc/52/48/82/1071524882.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 2 1 488.652 3.589 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313906629 1071524889 /nfs/dbraw/zinc/52/48/89/1071524889.db2.gz YCBPETPDTIROQV-FDFHNCONSA-N 2 1 488.652 3.589 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313905728 1071521984 /nfs/dbraw/zinc/52/19/84/1071521984.db2.gz QXRVCINHWCDACU-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313905728 1071521988 /nfs/dbraw/zinc/52/19/88/1071521988.db2.gz QXRVCINHWCDACU-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313905728 1071521996 /nfs/dbraw/zinc/52/19/96/1071521996.db2.gz QXRVCINHWCDACU-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001313914260 1071544995 /nfs/dbraw/zinc/54/49/95/1071544995.db2.gz LZAAEESRTIQXHF-WXFUMESZSA-N 2 1 490.737 3.618 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001313914260 1071545005 /nfs/dbraw/zinc/54/50/05/1071545005.db2.gz LZAAEESRTIQXHF-WXFUMESZSA-N 2 1 490.737 3.618 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313925384 1071573344 /nfs/dbraw/zinc/57/33/44/1071573344.db2.gz PHRUQGFHDBHPOT-VAMGGRTRSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313925384 1071573347 /nfs/dbraw/zinc/57/33/47/1071573347.db2.gz PHRUQGFHDBHPOT-VAMGGRTRSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313925384 1071573360 /nfs/dbraw/zinc/57/33/60/1071573360.db2.gz PHRUQGFHDBHPOT-VAMGGRTRSA-N 2 1 492.087 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929257 1071586596 /nfs/dbraw/zinc/58/65/96/1071586596.db2.gz FVQNHCDLCSFTDA-PMACEKPBSA-N 2 1 491.080 3.713 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594134 /nfs/dbraw/zinc/59/41/34/1071594134.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594137 /nfs/dbraw/zinc/59/41/37/1071594137.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 2 1 478.483 3.687 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313932012 1071594143 /nfs/dbraw/zinc/59/41/43/1071594143.db2.gz GQVWCVFUQOHCOJ-KURKYZTESA-N 2 1 478.483 3.687 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596491 /nfs/dbraw/zinc/59/64/91/1071596491.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596495 /nfs/dbraw/zinc/59/64/95/1071596495.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313932746 1071596501 /nfs/dbraw/zinc/59/65/01/1071596501.db2.gz IFHNXJRILXKZOB-JOCHJYFZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599697 /nfs/dbraw/zinc/59/96/97/1071599697.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 2 1 478.483 3.688 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599702 /nfs/dbraw/zinc/59/97/02/1071599702.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 2 1 478.483 3.688 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933912 1071599711 /nfs/dbraw/zinc/59/97/11/1071599711.db2.gz OPNINGBAMRQFBT-QGZVFWFLSA-N 2 1 478.483 3.688 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604870 /nfs/dbraw/zinc/60/48/70/1071604870.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 2 1 493.494 3.977 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604874 /nfs/dbraw/zinc/60/48/74/1071604874.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 2 1 493.494 3.977 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313935126 1071604879 /nfs/dbraw/zinc/60/48/79/1071604879.db2.gz XCLNJGYHRQWEGI-SFHVURJKSA-N 2 1 493.494 3.977 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613480 /nfs/dbraw/zinc/61/34/80/1071613480.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 2 1 459.708 3.819 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613485 /nfs/dbraw/zinc/61/34/85/1071613485.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 2 1 459.708 3.819 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313939537 1071613489 /nfs/dbraw/zinc/61/34/89/1071613489.db2.gz CFCIEXOMJZXCFJ-LJQANCHMSA-N 2 1 459.708 3.819 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313941362 1071616874 /nfs/dbraw/zinc/61/68/74/1071616874.db2.gz BQNFHMVVQHPHRS-FQEVSTJZSA-N 2 1 465.646 3.890 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313941362 1071616880 /nfs/dbraw/zinc/61/68/80/1071616880.db2.gz BQNFHMVVQHPHRS-FQEVSTJZSA-N 2 1 465.646 3.890 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942565 1071620868 /nfs/dbraw/zinc/62/08/68/1071620868.db2.gz KAAGIYXPJBITBY-XZOQPEGZSA-N 2 1 454.663 3.552 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001313942775 1071621336 /nfs/dbraw/zinc/62/13/36/1071621336.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001313942775 1071621337 /nfs/dbraw/zinc/62/13/37/1071621337.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001313942775 1071621342 /nfs/dbraw/zinc/62/13/42/1071621342.db2.gz NOPWSVQCNFAUFM-VWNXMTODSA-N 2 1 498.716 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622659 /nfs/dbraw/zinc/62/26/59/1071622659.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622660 /nfs/dbraw/zinc/62/26/60/1071622660.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622661 /nfs/dbraw/zinc/62/26/61/1071622661.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313943794 1071623925 /nfs/dbraw/zinc/62/39/25/1071623925.db2.gz WHCDSAQUYUAGSZ-JOCHJYFZSA-N 2 1 486.730 3.832 20 0 JHADMP CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624902 /nfs/dbraw/zinc/62/49/02/1071624902.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 2 1 474.097 3.545 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624907 /nfs/dbraw/zinc/62/49/07/1071624907.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 2 1 474.097 3.545 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001313944722 1071624909 /nfs/dbraw/zinc/62/49/09/1071624909.db2.gz GECWDWQRPGMCRW-QHCPKHFHSA-N 2 1 474.097 3.545 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313946698 1071629933 /nfs/dbraw/zinc/62/99/33/1071629933.db2.gz TZOZGOIPQPOCOB-ZLNRFVROSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947449 1071631621 /nfs/dbraw/zinc/63/16/21/1071631621.db2.gz HHLJVECSHAMBPP-PXDATVDWSA-N 2 1 484.689 3.907 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313949757 1071636898 /nfs/dbraw/zinc/63/68/98/1071636898.db2.gz RHVJKIMNIJFBSL-KRWDZBQOSA-N 2 1 467.445 3.790 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305983643 1068330125 /nfs/dbraw/zinc/33/01/25/1068330125.db2.gz AAORLUCUVZLANT-UHFFFAOYSA-N 2 1 498.716 3.841 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001305983643 1068330138 /nfs/dbraw/zinc/33/01/38/1068330138.db2.gz AAORLUCUVZLANT-UHFFFAOYSA-N 2 1 498.716 3.841 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+]1CCOCC1(C)C ZINC001305983643 1068330155 /nfs/dbraw/zinc/33/01/55/1068330155.db2.gz AAORLUCUVZLANT-UHFFFAOYSA-N 2 1 498.716 3.841 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+]1CCOCC1(C)C ZINC001305983643 1068330171 /nfs/dbraw/zinc/33/01/71/1068330171.db2.gz AAORLUCUVZLANT-UHFFFAOYSA-N 2 1 498.716 3.841 20 0 JHADMP CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986515 1068338262 /nfs/dbraw/zinc/33/82/62/1068338262.db2.gz XLUSGKUODPSSQZ-SFTDATJTSA-N 2 1 454.663 3.823 20 0 JHADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306136159 1068538870 /nfs/dbraw/zinc/53/88/70/1068538870.db2.gz JJPSJMLAVILSKT-ODAXIHTASA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)CC)c2)CC[N@H+]1CCOC ZINC001306389846 1068827480 /nfs/dbraw/zinc/82/74/80/1068827480.db2.gz PLZNQICKKFQYBD-HSZRJFAPSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+](C)CC)c2)CC[NH+]1CCOC ZINC001306389846 1068827496 /nfs/dbraw/zinc/82/74/96/1068827496.db2.gz PLZNQICKKFQYBD-HSZRJFAPSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+](C)CC)c2)CC[NH+]1CCOC ZINC001306389846 1068827509 /nfs/dbraw/zinc/82/75/09/1068827509.db2.gz PLZNQICKKFQYBD-HSZRJFAPSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402227 1068863548 /nfs/dbraw/zinc/86/35/48/1068863548.db2.gz NMRTXWUUJXUBFL-NFBKMPQASA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402227 1068863556 /nfs/dbraw/zinc/86/35/56/1068863556.db2.gz NMRTXWUUJXUBFL-NFBKMPQASA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306405066 1068870950 /nfs/dbraw/zinc/87/09/50/1068870950.db2.gz YEQCQTPOOIIFKT-MIZPHKNDSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306405066 1068870958 /nfs/dbraw/zinc/87/09/58/1068870958.db2.gz YEQCQTPOOIIFKT-MIZPHKNDSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001306443041 1068953425 /nfs/dbraw/zinc/95/34/25/1068953425.db2.gz BHTDUINISYAWLL-JOCHJYFZSA-N 2 1 474.719 3.742 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306450388 1068968827 /nfs/dbraw/zinc/96/88/27/1068968827.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450388 1068968836 /nfs/dbraw/zinc/96/88/36/1068968836.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450388 1068968847 /nfs/dbraw/zinc/96/88/47/1068968847.db2.gz MGFPQCNGYHJAJT-JWQCQUIFSA-N 2 1 482.717 3.731 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306621274 1069308649 /nfs/dbraw/zinc/30/86/49/1069308649.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306621274 1069308664 /nfs/dbraw/zinc/30/86/64/1069308664.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306621274 1069308678 /nfs/dbraw/zinc/30/86/78/1069308678.db2.gz XOXVYZPIIZQGPI-QNWVGRARSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306621273 1069309065 /nfs/dbraw/zinc/30/90/65/1069309065.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306621273 1069309077 /nfs/dbraw/zinc/30/90/77/1069309077.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306621273 1069309088 /nfs/dbraw/zinc/30/90/88/1069309088.db2.gz XOXVYZPIIZQGPI-MQSCRBSSSA-N 2 1 472.678 3.904 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164404114 718864342 /nfs/dbraw/zinc/86/43/42/718864342.db2.gz ACLFTSOXQGMLJQ-WSTZPKSXSA-N 2 1 455.672 3.617 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2nc(N3CCOCC3)nc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164687866 719686759 /nfs/dbraw/zinc/68/67/59/719686759.db2.gz WLUMYNXKFAJNAO-RUZDIDTESA-N 2 1 493.700 3.880 20 0 JHADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690266 719742624 /nfs/dbraw/zinc/74/26/24/719742624.db2.gz XMWWDRGRQMCFFX-UHFFFAOYSA-N 2 1 496.725 3.593 20 0 JHADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCC(C)CC3)nc3sc4c(c31)CCC4)CC2 ZINC001164690266 719742631 /nfs/dbraw/zinc/74/26/31/719742631.db2.gz XMWWDRGRQMCFFX-UHFFFAOYSA-N 2 1 496.725 3.593 20 0 JHADMP Fc1cccnc1N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164692074 719759895 /nfs/dbraw/zinc/75/98/95/719759895.db2.gz RLASTIORAWEUCC-AJTFRIOCSA-N 2 1 459.569 3.833 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833408 720322513 /nfs/dbraw/zinc/32/25/13/720322513.db2.gz WVRCXLXBLGVTEJ-DNQXCXABSA-N 2 1 476.600 3.530 20 0 JHADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164735186 720524426 /nfs/dbraw/zinc/52/44/26/720524426.db2.gz VWAKUTQMZRJACJ-GOSISDBHSA-N 2 1 465.671 3.560 20 0 JHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)n1 ZINC001164843489 720742438 /nfs/dbraw/zinc/74/24/38/720742438.db2.gz LHGPBDKKRRCWHH-UHFFFAOYSA-N 2 1 464.017 3.688 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164751862 720832617 /nfs/dbraw/zinc/83/26/17/720832617.db2.gz ZKPMNSQUOZBKRQ-NMVJMZGASA-N 2 1 486.599 3.590 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751862 720832618 /nfs/dbraw/zinc/83/26/18/720832618.db2.gz ZKPMNSQUOZBKRQ-NMVJMZGASA-N 2 1 486.599 3.590 20 0 JHADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745198 720850366 /nfs/dbraw/zinc/85/03/66/720850366.db2.gz MPJPVXWGDVUPTB-GIFXNVAJSA-N 2 1 457.626 3.806 20 0 JHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750172 720908565 /nfs/dbraw/zinc/90/85/65/720908565.db2.gz JNWWOEZAHQEMIU-SHQCIBLASA-N 2 1 462.642 3.617 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750172 720908569 /nfs/dbraw/zinc/90/85/69/720908569.db2.gz JNWWOEZAHQEMIU-SHQCIBLASA-N 2 1 462.642 3.617 20 0 JHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164786678 721468646 /nfs/dbraw/zinc/46/86/46/721468646.db2.gz BYCJOCIJZQFQEG-HSZRJFAPSA-N 2 1 469.626 3.986 20 0 JHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164786678 721468648 /nfs/dbraw/zinc/46/86/48/721468648.db2.gz BYCJOCIJZQFQEG-HSZRJFAPSA-N 2 1 469.626 3.986 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165049150 721973805 /nfs/dbraw/zinc/97/38/05/721973805.db2.gz NUOCEBSNYCLZIP-VXKWHMMOSA-N 2 1 471.690 3.725 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165049150 721973808 /nfs/dbraw/zinc/97/38/08/721973808.db2.gz NUOCEBSNYCLZIP-VXKWHMMOSA-N 2 1 471.690 3.725 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306635623 1069343105 /nfs/dbraw/zinc/34/31/05/1069343105.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306635623 1069343118 /nfs/dbraw/zinc/34/31/18/1069343118.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306635623 1069343129 /nfs/dbraw/zinc/34/31/29/1069343129.db2.gz RJHZLVMUCGNBSG-RJGXRXQPSA-N 2 1 476.710 3.577 20 0 JHADMP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306654677 1069366563 /nfs/dbraw/zinc/36/65/63/1069366563.db2.gz QZSYSNWBMLCQDB-BJKOFHAPSA-N 2 1 467.706 3.752 20 0 JHADMP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569771 1069442667 /nfs/dbraw/zinc/44/26/67/1069442667.db2.gz GTSZLGOMXRNCDF-XZOQPEGZSA-N 2 1 456.656 3.587 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306721571 1069457823 /nfs/dbraw/zinc/45/78/23/1069457823.db2.gz BTVPBJIMXPBKCZ-MOUTVQLLSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306721571 1069457826 /nfs/dbraw/zinc/45/78/26/1069457826.db2.gz BTVPBJIMXPBKCZ-MOUTVQLLSA-N 2 1 460.711 3.993 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306725688 1069466900 /nfs/dbraw/zinc/46/69/00/1069466900.db2.gz GRISFVQOGYPAAF-XMMPIXPASA-N 2 1 453.679 3.839 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306725688 1069466903 /nfs/dbraw/zinc/46/69/03/1069466903.db2.gz GRISFVQOGYPAAF-XMMPIXPASA-N 2 1 453.679 3.839 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306725688 1069466906 /nfs/dbraw/zinc/46/69/06/1069466906.db2.gz GRISFVQOGYPAAF-XMMPIXPASA-N 2 1 453.679 3.839 20 0 JHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821927 1069561009 /nfs/dbraw/zinc/56/10/09/1069561009.db2.gz GVAQWXBLCHABPJ-LFAGZIFBSA-N 2 1 467.633 3.673 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781147 1069578713 /nfs/dbraw/zinc/57/87/13/1069578713.db2.gz HDJVNHOEDGCZQO-OEMFJLHTSA-N 2 1 460.711 3.851 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306789443 1069595337 /nfs/dbraw/zinc/59/53/37/1069595337.db2.gz PZAIVABWHMMYPQ-NRFANRHFSA-N 2 1 459.708 3.678 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001306802338 1069608825 /nfs/dbraw/zinc/60/88/25/1069608825.db2.gz IYVKAMVWHRJCIA-UHFFFAOYSA-N 2 1 464.662 3.988 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306802754 1069610180 /nfs/dbraw/zinc/61/01/80/1069610180.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 2 1 474.097 3.547 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306802754 1069610192 /nfs/dbraw/zinc/61/01/92/1069610192.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 2 1 474.097 3.547 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306802754 1069610202 /nfs/dbraw/zinc/61/02/02/1069610202.db2.gz PVCJCCCRDAXRBS-HSZRJFAPSA-N 2 1 474.097 3.547 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC001306805302 1069615821 /nfs/dbraw/zinc/61/58/21/1069615821.db2.gz XVDWIIJEUDNZHI-LADGPHEKSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001306805302 1069615826 /nfs/dbraw/zinc/61/58/26/1069615826.db2.gz XVDWIIJEUDNZHI-LADGPHEKSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001306805302 1069615830 /nfs/dbraw/zinc/61/58/30/1069615830.db2.gz XVDWIIJEUDNZHI-LADGPHEKSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001306807074 1069620857 /nfs/dbraw/zinc/62/08/57/1069620857.db2.gz NRJUVQSNIQNBJP-UHFFFAOYSA-N 2 1 475.081 3.879 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001312055707 1069696048 /nfs/dbraw/zinc/69/60/48/1069696048.db2.gz QQGMINZAJIDCJQ-OAQYLSRUSA-N 2 1 451.453 3.977 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001312055707 1069696054 /nfs/dbraw/zinc/69/60/54/1069696054.db2.gz QQGMINZAJIDCJQ-OAQYLSRUSA-N 2 1 451.453 3.977 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@@H+](C)C2CCCC2)cc1OC ZINC001314176938 1069709203 /nfs/dbraw/zinc/70/92/03/1069709203.db2.gz OTLYVJRUEALHEK-UHFFFAOYSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001307044933 1069779818 /nfs/dbraw/zinc/77/98/18/1069779818.db2.gz ATULBELMXALHCC-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(CC)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001307044933 1069779820 /nfs/dbraw/zinc/77/98/20/1069779820.db2.gz ATULBELMXALHCC-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001312252631 1069810324 /nfs/dbraw/zinc/81/03/24/1069810324.db2.gz KLCHTMYPCZQWDY-RCZVLFRGSA-N 2 1 450.627 3.666 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055551 1069823006 /nfs/dbraw/zinc/82/30/06/1069823006.db2.gz QAQJMPMCIUZUNB-RZUBCFFCSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055551 1069823032 /nfs/dbraw/zinc/82/30/32/1069823032.db2.gz QAQJMPMCIUZUNB-RZUBCFFCSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055551 1069823058 /nfs/dbraw/zinc/82/30/58/1069823058.db2.gz QAQJMPMCIUZUNB-RZUBCFFCSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055551 1069823087 /nfs/dbraw/zinc/82/30/87/1069823087.db2.gz QAQJMPMCIUZUNB-RZUBCFFCSA-N 2 1 490.096 3.803 20 0 JHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312498405 1069975003 /nfs/dbraw/zinc/97/50/03/1069975003.db2.gz CKRQDZNPJCVNIM-AREMUKBSSA-N 2 1 450.627 3.584 20 0 JHADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001307488664 1070013740 /nfs/dbraw/zinc/01/37/40/1070013740.db2.gz HAKJHCRYCBRSDF-OAHLLOKOSA-N 2 1 457.446 3.736 20 0 JHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1)Cc1ccccc1 ZINC001307504205 1070022401 /nfs/dbraw/zinc/02/24/01/1070022401.db2.gz OUCUOELVIOCUBB-UHFFFAOYSA-N 2 1 459.537 3.511 20 0 JHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC001307594766 1070072021 /nfs/dbraw/zinc/07/20/21/1070072021.db2.gz JKSFSQKGIXODSM-UHFFFAOYSA-N 2 1 458.198 3.986 20 0 JHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC001307594766 1070072038 /nfs/dbraw/zinc/07/20/38/1070072038.db2.gz JKSFSQKGIXODSM-UHFFFAOYSA-N 2 1 458.198 3.986 20 0 JHADMP C[C@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837985 1070148241 /nfs/dbraw/zinc/14/82/41/1070148241.db2.gz CBLBIYJJHACSJQ-QIUOXPPCSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837985 1070148252 /nfs/dbraw/zinc/14/82/52/1070148252.db2.gz CBLBIYJJHACSJQ-QIUOXPPCSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@H](CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837985 1070148257 /nfs/dbraw/zinc/14/82/57/1070148257.db2.gz CBLBIYJJHACSJQ-QIUOXPPCSA-N 2 1 468.617 3.591 20 0 JHADMP C[C@H](CNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001312837985 1070148263 /nfs/dbraw/zinc/14/82/63/1070148263.db2.gz CBLBIYJJHACSJQ-QIUOXPPCSA-N 2 1 468.617 3.591 20 0 JHADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+]1CCCC1 ZINC001312854346 1070156919 /nfs/dbraw/zinc/15/69/19/1070156919.db2.gz GYDXMIDFDLQLCI-OAQYLSRUSA-N 2 1 451.453 3.833 20 0 JHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164898 /nfs/dbraw/zinc/16/48/98/1070164898.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 2 1 454.640 3.731 20 0 JHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164904 /nfs/dbraw/zinc/16/49/04/1070164904.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 2 1 454.640 3.731 20 0 JHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749553 1070164908 /nfs/dbraw/zinc/16/49/08/1070164908.db2.gz BHKVLGXJHXDKHD-IBGZPJMESA-N 2 1 454.640 3.731 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 ZINC001312917797 1070180424 /nfs/dbraw/zinc/18/04/24/1070180424.db2.gz IQGRALVMHGWTIL-DEOSSOPVSA-N 2 1 453.631 3.796 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001314395696 1070253937 /nfs/dbraw/zinc/25/39/37/1070253937.db2.gz FHAWTMNAZDPMPE-HSZRJFAPSA-N 2 1 454.663 3.710 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001314399870 1070260979 /nfs/dbraw/zinc/26/09/79/1070260979.db2.gz HGFKPGTXTCFGGA-PKTZIBPZSA-N 2 1 454.663 3.566 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC001308177233 1070337458 /nfs/dbraw/zinc/33/74/58/1070337458.db2.gz HHUZCDWIBBMYSI-KCWPFWIISA-N 2 1 470.658 3.551 20 0 JHADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)c1OCC(N)=O ZINC001308344172 1070359188 /nfs/dbraw/zinc/35/91/88/1070359188.db2.gz XRUVCOGSXVJKOE-RZUBCFFCSA-N 2 1 458.002 3.603 20 0 JHADMP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380531 /nfs/dbraw/zinc/38/05/31/1070380531.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 2 1 490.643 3.567 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380542 /nfs/dbraw/zinc/38/05/42/1070380542.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 2 1 490.643 3.567 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380564 /nfs/dbraw/zinc/38/05/64/1070380564.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 2 1 490.643 3.567 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313451644 1070380574 /nfs/dbraw/zinc/38/05/74/1070380574.db2.gz ZZUXKMFYHSTJOF-HBMCJLEFSA-N 2 1 490.643 3.567 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495778 1070415382 /nfs/dbraw/zinc/41/53/82/1070415382.db2.gz DAYHDHJBXMUIIL-JOCHJYFZSA-N 2 1 484.689 3.623 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001314495778 1070415387 /nfs/dbraw/zinc/41/53/87/1070415387.db2.gz DAYHDHJBXMUIIL-JOCHJYFZSA-N 2 1 484.689 3.623 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[NH+]2CC)C[C@@H]1CC ZINC001314496483 1070417894 /nfs/dbraw/zinc/41/78/94/1070417894.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+]2CC)C[C@@H]1CC ZINC001314496483 1070417899 /nfs/dbraw/zinc/41/78/99/1070417899.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+]2CC)C[C@@H]1CC ZINC001314496483 1070417905 /nfs/dbraw/zinc/41/79/05/1070417905.db2.gz RJFIDLLKZKKNJS-GOTSBHOMSA-N 2 1 454.663 3.675 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501261 1070524446 /nfs/dbraw/zinc/52/44/46/1070524446.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501261 1070524461 /nfs/dbraw/zinc/52/44/61/1070524461.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501261 1070524469 /nfs/dbraw/zinc/52/44/69/1070524469.db2.gz CUTDJHUNNBIAPW-YADHBBJMSA-N 2 1 482.673 3.923 20 0 JHADMP C[NH+](C)C1(Cn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001314657735 1070777284 /nfs/dbraw/zinc/77/72/84/1070777284.db2.gz DQAHYNIZORIWEP-UHFFFAOYSA-N 2 1 458.626 3.791 20 0 JHADMP C[NH+](C)[C@@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC001314658276 1070778963 /nfs/dbraw/zinc/77/89/63/1070778963.db2.gz WXUXQUKXYJXEEC-RUZDIDTESA-N 2 1 490.693 3.744 20 0 JHADMP CN(c1nnc(-c2cccn2C)n1CC(C)(C)C[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001314665831 1070798253 /nfs/dbraw/zinc/79/82/53/1070798253.db2.gz RJJHVTCYDXHUFI-QHCPKHFHSA-N 2 1 463.674 3.972 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C[NH+](C)C ZINC001314668677 1070805263 /nfs/dbraw/zinc/80/52/63/1070805263.db2.gz VBYJIXIPUKJJNV-UHFFFAOYSA-N 2 1 495.672 3.735 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)C[NH+](C)C ZINC001314668677 1070805290 /nfs/dbraw/zinc/80/52/90/1070805290.db2.gz VBYJIXIPUKJJNV-UHFFFAOYSA-N 2 1 495.672 3.735 20 0 JHADMP CN(C)CC[NH+]1CCC(Cn2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670512 1070812005 /nfs/dbraw/zinc/81/20/05/1070812005.db2.gz GFZBIKLGKLXQPL-UHFFFAOYSA-N 2 1 499.723 3.701 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670512 1070812037 /nfs/dbraw/zinc/81/20/37/1070812037.db2.gz GFZBIKLGKLXQPL-UHFFFAOYSA-N 2 1 499.723 3.701 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670512 1070812073 /nfs/dbraw/zinc/81/20/73/1070812073.db2.gz GFZBIKLGKLXQPL-UHFFFAOYSA-N 2 1 499.723 3.701 20 0 JHADMP C[NH+](C)CCOc1ccc(Cn2c(N3CC[NH+](Cc4cccs4)CC3)nnc2C(C)(C)C)cc1 ZINC001314672525 1070817361 /nfs/dbraw/zinc/81/73/61/1070817361.db2.gz SBUCYOSEXKRCMT-UHFFFAOYSA-N 2 1 482.698 3.948 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001313655963 1070847668 /nfs/dbraw/zinc/84/76/68/1070847668.db2.gz BORHSQSMYRRWMJ-DFBJGRDBSA-N 2 1 492.615 3.578 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313657982 1070858042 /nfs/dbraw/zinc/85/80/42/1070858042.db2.gz ANOBDJKATLHRNE-FDFHNCONSA-N 2 1 481.689 3.713 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313657982 1070858069 /nfs/dbraw/zinc/85/80/69/1070858069.db2.gz ANOBDJKATLHRNE-FDFHNCONSA-N 2 1 481.689 3.713 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313665425 1070880441 /nfs/dbraw/zinc/88/04/41/1070880441.db2.gz DVMKBLNEYUYGRE-DHIUTWEWSA-N 2 1 454.663 3.879 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313668670 1070892805 /nfs/dbraw/zinc/89/28/05/1070892805.db2.gz RKVWCLCVNZWOFV-DHIUTWEWSA-N 2 1 484.689 3.585 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313715636 1071014724 /nfs/dbraw/zinc/01/47/24/1071014724.db2.gz KWSZDRKHVQOOPQ-YADHBBJMSA-N 2 1 456.683 3.501 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313725758 1071033510 /nfs/dbraw/zinc/03/35/10/1071033510.db2.gz QPNNZZGWEUNOGH-OFNKIYASSA-N 2 1 470.662 3.832 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313727686 1071037791 /nfs/dbraw/zinc/03/77/91/1071037791.db2.gz YVXGLCSRHVVYKJ-RPWUZVMVSA-N 2 1 498.716 3.894 20 0 JHADMP CCN(CC)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1Cl ZINC001310028901 1071072026 /nfs/dbraw/zinc/07/20/26/1071072026.db2.gz ZFRXEHUGNWWQLQ-IBGZPJMESA-N 2 1 452.043 3.702 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]2CCCC[C@@H]2C1)CCC(F)(F)F ZINC001313808762 1071234606 /nfs/dbraw/zinc/23/46/06/1071234606.db2.gz BPFIOVKZYVORQD-LJQANCHMSA-N 2 1 465.568 3.597 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(C)n2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)CCC(F)(F)F ZINC001313808762 1071234614 /nfs/dbraw/zinc/23/46/14/1071234614.db2.gz BPFIOVKZYVORQD-LJQANCHMSA-N 2 1 465.568 3.597 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)CCC(F)(F)F ZINC001313808762 1071234621 /nfs/dbraw/zinc/23/46/21/1071234621.db2.gz BPFIOVKZYVORQD-LJQANCHMSA-N 2 1 465.568 3.597 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1)C(C)C ZINC001313820725 1071278881 /nfs/dbraw/zinc/27/88/81/1071278881.db2.gz UMNAFUASBHBHFW-UHFFFAOYSA-N 2 1 493.494 3.880 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001314872796 1071287979 /nfs/dbraw/zinc/28/79/79/1071287979.db2.gz OKMDBZKNZDDDAA-JOCHJYFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001314872796 1071287986 /nfs/dbraw/zinc/28/79/86/1071287986.db2.gz OKMDBZKNZDDDAA-JOCHJYFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314872796 1071287994 /nfs/dbraw/zinc/28/79/94/1071287994.db2.gz OKMDBZKNZDDDAA-JOCHJYFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314872796 1071287997 /nfs/dbraw/zinc/28/79/97/1071287997.db2.gz OKMDBZKNZDDDAA-JOCHJYFZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860817 1071371812 /nfs/dbraw/zinc/37/18/12/1071371812.db2.gz OPVFDGKMTLNWGE-ISJBWFOZSA-N 2 1 499.729 3.503 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865367 1071391910 /nfs/dbraw/zinc/39/19/10/1071391910.db2.gz ANMCFSZUMHVXBL-ZJZGAYNASA-N 2 1 482.717 3.870 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392162 /nfs/dbraw/zinc/39/21/62/1071392162.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 2 1 482.717 3.870 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392176 /nfs/dbraw/zinc/39/21/76/1071392176.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 2 1 482.717 3.870 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313865362 1071392187 /nfs/dbraw/zinc/39/21/87/1071392187.db2.gz ANMCFSZUMHVXBL-NEWJYFPISA-N 2 1 482.717 3.870 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313873707 1071426492 /nfs/dbraw/zinc/42/64/92/1071426492.db2.gz LPHVIGYVIUDNNS-WRALFONMSA-N 2 1 461.658 3.794 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433524 /nfs/dbraw/zinc/43/35/24/1071433524.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433525 /nfs/dbraw/zinc/43/35/25/1071433525.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493760 1071433529 /nfs/dbraw/zinc/43/35/29/1071433529.db2.gz KZOFYVURUSLSCY-SDHSZQHLSA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440918 /nfs/dbraw/zinc/44/09/18/1071440918.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 2 1 455.695 3.961 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440922 /nfs/dbraw/zinc/44/09/22/1071440922.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 2 1 455.695 3.961 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313877307 1071440928 /nfs/dbraw/zinc/44/09/28/1071440928.db2.gz WMTQBAWTGUAICN-BJESRGMDSA-N 2 1 455.695 3.961 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313885613 1071467323 /nfs/dbraw/zinc/46/73/23/1071467323.db2.gz FEUSFMGXOIFBOZ-GOSISDBHSA-N 2 1 461.054 3.869 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001313886460 1071470677 /nfs/dbraw/zinc/47/06/77/1071470677.db2.gz CKBGLTXSOMNCOG-HSZRJFAPSA-N 2 1 460.711 3.537 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001313889433 1071480887 /nfs/dbraw/zinc/48/08/87/1071480887.db2.gz KMDGNHYPMFTBJG-NRFANRHFSA-N 2 1 484.689 3.862 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313901589 1071511833 /nfs/dbraw/zinc/51/18/33/1071511833.db2.gz AYOLQJOTTMCFIY-HSZRJFAPSA-N 2 1 454.663 3.925 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313901628 1071511855 /nfs/dbraw/zinc/51/18/55/1071511855.db2.gz AYOLQJOTTMCFIY-QHCPKHFHSA-N 2 1 454.663 3.925 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911960 1071539012 /nfs/dbraw/zinc/53/90/12/1071539012.db2.gz GCYWBQLCDHKMPN-NRFANRHFSA-N 2 1 470.662 3.661 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930235 1071588654 /nfs/dbraw/zinc/58/86/54/1071588654.db2.gz AKYMXNWNPQBOPB-DYESRHJHSA-N 2 1 486.462 3.869 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071590969 /nfs/dbraw/zinc/59/09/69/1071590969.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071590979 /nfs/dbraw/zinc/59/09/79/1071590979.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001313931185 1071590987 /nfs/dbraw/zinc/59/09/87/1071590987.db2.gz BKABDMYQDCDTIW-GOTSBHOMSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC001313934803 1071603531 /nfs/dbraw/zinc/60/35/31/1071603531.db2.gz TZPCDDWFKJHUDM-JOCHJYFZSA-N 2 1 481.689 3.800 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934208 1071601007 /nfs/dbraw/zinc/60/10/07/1071601007.db2.gz QNJWAUQIKHSZAV-QZTJIDSGSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604321 /nfs/dbraw/zinc/60/43/21/1071604321.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604324 /nfs/dbraw/zinc/60/43/24/1071604324.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313934993 1071604326 /nfs/dbraw/zinc/60/43/26/1071604326.db2.gz UOVKZUMIPZPEBV-RBUKOAKNSA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607189 /nfs/dbraw/zinc/60/71/89/1071607189.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607193 /nfs/dbraw/zinc/60/71/93/1071607193.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313935801 1071607200 /nfs/dbraw/zinc/60/72/00/1071607200.db2.gz YXSXWRLIELPQHI-IAGOWNOFSA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613423 /nfs/dbraw/zinc/61/34/23/1071613423.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 2 1 459.708 3.819 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613426 /nfs/dbraw/zinc/61/34/26/1071613426.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 2 1 459.708 3.819 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313939536 1071613431 /nfs/dbraw/zinc/61/34/31/1071613431.db2.gz CFCIEXOMJZXCFJ-IBGZPJMESA-N 2 1 459.708 3.819 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614041 /nfs/dbraw/zinc/61/40/41/1071614041.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614043 /nfs/dbraw/zinc/61/40/43/1071614043.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313939922 1071614045 /nfs/dbraw/zinc/61/40/45/1071614045.db2.gz HVAJCPAXVPUPDC-LEWJYISDSA-N 2 1 452.672 3.981 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313941291 1071616150 /nfs/dbraw/zinc/61/61/50/1071616150.db2.gz BAASIBOIMQYKHR-HSZRJFAPSA-N 2 1 454.663 3.736 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618903 /nfs/dbraw/zinc/61/89/03/1071618903.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618907 /nfs/dbraw/zinc/61/89/07/1071618907.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618910 /nfs/dbraw/zinc/61/89/10/1071618910.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313948569 1071634030 /nfs/dbraw/zinc/63/40/30/1071634030.db2.gz LBVSNBVFUJMVSV-OAQYLSRUSA-N 2 1 470.662 3.661 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636491 /nfs/dbraw/zinc/63/64/91/1071636491.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636493 /nfs/dbraw/zinc/63/64/93/1071636493.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636494 /nfs/dbraw/zinc/63/64/94/1071636494.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 2 1 486.730 3.766 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951508 1071642460 /nfs/dbraw/zinc/64/24/60/1071642460.db2.gz JAHIOSFZNSZFBT-JWQCQUIFSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951508 1071642464 /nfs/dbraw/zinc/64/24/64/1071642464.db2.gz JAHIOSFZNSZFBT-JWQCQUIFSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951508 1071642466 /nfs/dbraw/zinc/64/24/66/1071642466.db2.gz JAHIOSFZNSZFBT-JWQCQUIFSA-N 2 1 495.760 3.950 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001314125663 1072033598 /nfs/dbraw/zinc/03/35/98/1072033598.db2.gz OZXQOHMWBUUUGL-NLJOTIRTSA-N 2 1 490.737 3.609 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[NH+](C4CCCC4)CC3)n2CC[N@@H+](C)CCOC)cc1 ZINC001305945366 1068258754 /nfs/dbraw/zinc/25/87/54/1068258754.db2.gz KFEVXCYMIZZQMD-UHFFFAOYSA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC[NH+](C)CCOC)cc1 ZINC001305945366 1068258770 /nfs/dbraw/zinc/25/87/70/1068258770.db2.gz KFEVXCYMIZZQMD-UHFFFAOYSA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC[N@H+](C4CCCC4)CC3)n2CC[NH+](C)CCOC)cc1 ZINC001305945366 1068258784 /nfs/dbraw/zinc/25/87/84/1068258784.db2.gz KFEVXCYMIZZQMD-UHFFFAOYSA-N 2 1 454.663 3.540 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950229 1068272200 /nfs/dbraw/zinc/27/22/00/1068272200.db2.gz MRQPBIFIJQWSPB-OAQYLSRUSA-N 2 1 454.663 3.539 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001305985539 1068335508 /nfs/dbraw/zinc/33/55/08/1068335508.db2.gz PIKKCFFVGXVQOT-NRFANRHFSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001306205092 1068594964 /nfs/dbraw/zinc/59/49/64/1068594964.db2.gz DCLVQOAHBVUKMF-QFIPXVFZSA-N 2 1 454.663 3.826 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001306205092 1068594970 /nfs/dbraw/zinc/59/49/70/1068594970.db2.gz DCLVQOAHBVUKMF-QFIPXVFZSA-N 2 1 454.663 3.826 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306388430 1068824481 /nfs/dbraw/zinc/82/44/81/1068824481.db2.gz WGOSBDKJPLFQHT-UGKGYDQZSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1CCOC ZINC001306388430 1068824493 /nfs/dbraw/zinc/82/44/93/1068824493.db2.gz WGOSBDKJPLFQHT-UGKGYDQZSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001306399996 1068856924 /nfs/dbraw/zinc/85/69/24/1068856924.db2.gz GYVOIECHBQECGY-HSZRJFAPSA-N 2 1 484.689 3.765 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001306420337 1068913308 /nfs/dbraw/zinc/91/33/08/1068913308.db2.gz WAAZSEZXHZHVQR-DHIUTWEWSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420337 1068913315 /nfs/dbraw/zinc/91/33/15/1068913315.db2.gz WAAZSEZXHZHVQR-DHIUTWEWSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420337 1068913320 /nfs/dbraw/zinc/91/33/20/1068913320.db2.gz WAAZSEZXHZHVQR-DHIUTWEWSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1CCOC ZINC001306429035 1068926831 /nfs/dbraw/zinc/92/68/31/1068926831.db2.gz YSISMCFRJXAVDP-XMMPIXPASA-N 2 1 454.663 3.593 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001306437212 1068941125 /nfs/dbraw/zinc/94/11/25/1068941125.db2.gz DRNWVNKQFZKDHP-ZEQRLZLVSA-N 2 1 460.711 3.536 20 0 JHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC3CC[NH+](Cc4ccc(F)c(F)c4)CC3)c2)CC1 ZINC001310597472 1069041079 /nfs/dbraw/zinc/04/10/79/1069041079.db2.gz RWRMCLYFNVGUPE-UHFFFAOYSA-N 2 1 457.569 3.893 20 0 JHADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC001310743120 1069146196 /nfs/dbraw/zinc/14/61/96/1069146196.db2.gz JSZNTMUGCSFOIT-KRWDZBQOSA-N 2 1 451.011 3.530 20 0 JHADMP Cc1nc2c(n1-c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CC[C@@H](C)C4)CC[NH2+]CC2 ZINC001164428040 718949439 /nfs/dbraw/zinc/94/94/39/718949439.db2.gz HVSJEQYYAYRFFG-MRXNPFEDSA-N 2 1 450.656 3.984 20 0 JHADMP C[N@@H+](Cc1ccc(N(Cc2cccnc2)c2ccc3nc(C4CC[NH2+]CC4)nn3c2)nc1)C1CC1 ZINC001164630316 719138279 /nfs/dbraw/zinc/13/82/79/719138279.db2.gz ITHJSVFWNUNKKM-UHFFFAOYSA-N 2 1 468.609 3.919 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)[nH+]cc21 ZINC001164710439 720136438 /nfs/dbraw/zinc/13/64/38/720136438.db2.gz BMWVLGYLDSDLRD-FQEVSTJZSA-N 2 1 463.582 3.642 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833407 720322389 /nfs/dbraw/zinc/32/23/89/720322389.db2.gz WVRCXLXBLGVTEJ-BJKOFHAPSA-N 2 1 476.600 3.530 20 0 JHADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891951 721418916 /nfs/dbraw/zinc/41/89/16/721418916.db2.gz WXKPOGKULFQKIM-YWEHKCAJSA-N 2 1 459.638 3.850 20 0 JHADMP CC[C@@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001311395272 1069359773 /nfs/dbraw/zinc/35/97/73/1069359773.db2.gz DLYIENJCECTEKR-ORFBVSJDSA-N 2 1 452.565 3.928 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[NH+](CC)C2)CC1 ZINC001306677700 1069401608 /nfs/dbraw/zinc/40/16/08/1069401608.db2.gz AYOFNONLRABGDV-HSZRJFAPSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001306677700 1069401614 /nfs/dbraw/zinc/40/16/14/1069401614.db2.gz AYOFNONLRABGDV-HSZRJFAPSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001306677700 1069401619 /nfs/dbraw/zinc/40/16/19/1069401619.db2.gz AYOFNONLRABGDV-HSZRJFAPSA-N 2 1 453.679 3.939 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306725767 1069467068 /nfs/dbraw/zinc/46/70/68/1069467068.db2.gz HHJCTGGPSZRJML-XMMPIXPASA-N 2 1 453.679 3.885 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001306784908 1069586145 /nfs/dbraw/zinc/58/61/45/1069586145.db2.gz OZQXIQXEJZSQOA-FPOVZHCZSA-N 2 1 453.660 3.873 20 0 JHADMP C[C@H]1CN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC001312160926 1069757847 /nfs/dbraw/zinc/75/78/47/1069757847.db2.gz NRKHRKACUDBEPG-QHCPKHFHSA-N 2 1 452.643 3.566 20 0 JHADMP CCC[NH+]1CCC(Cn2c(CC)nnc2N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC001307038579 1069761622 /nfs/dbraw/zinc/76/16/22/1069761622.db2.gz IAPWYEIYKIOEOD-OAQYLSRUSA-N 2 1 454.663 3.854 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041878 1069770718 /nfs/dbraw/zinc/77/07/18/1069770718.db2.gz WCWWJKNXJPLBBJ-DEOSSOPVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001307041878 1069770724 /nfs/dbraw/zinc/77/07/24/1069770724.db2.gz WCWWJKNXJPLBBJ-DEOSSOPVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001307041878 1069770732 /nfs/dbraw/zinc/77/07/32/1069770732.db2.gz WCWWJKNXJPLBBJ-DEOSSOPVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001307044490 1069778130 /nfs/dbraw/zinc/77/81/30/1069778130.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001307044490 1069778145 /nfs/dbraw/zinc/77/81/45/1069778145.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC001307044490 1069778153 /nfs/dbraw/zinc/77/81/53/1069778153.db2.gz GLHYKQIDTOHHMF-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CC[NH+](CCC)CC2)C1 ZINC001307046026 1069784021 /nfs/dbraw/zinc/78/40/21/1069784021.db2.gz QAJHVPKYUFRZMF-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307045188 1069781028 /nfs/dbraw/zinc/78/10/28/1069781028.db2.gz LQZMRDDGJUGSNV-HSZRJFAPSA-N 2 1 454.663 3.818 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307045188 1069781038 /nfs/dbraw/zinc/78/10/38/1069781038.db2.gz LQZMRDDGJUGSNV-HSZRJFAPSA-N 2 1 454.663 3.818 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307045188 1069781050 /nfs/dbraw/zinc/78/10/50/1069781050.db2.gz LQZMRDDGJUGSNV-HSZRJFAPSA-N 2 1 454.663 3.818 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312216103 1069787634 /nfs/dbraw/zinc/78/76/34/1069787634.db2.gz CXVXVHPGIBEGQC-DQEYMECFSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312216103 1069787640 /nfs/dbraw/zinc/78/76/40/1069787640.db2.gz CXVXVHPGIBEGQC-DQEYMECFSA-N 2 1 456.606 3.579 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001307048860 1069795324 /nfs/dbraw/zinc/79/53/24/1069795324.db2.gz HJZYYFNETQKVTP-UHFFFAOYSA-N 2 1 495.716 3.713 20 0 JHADMP C[C@@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001312252633 1069810579 /nfs/dbraw/zinc/81/05/79/1069810579.db2.gz KLCHTMYPCZQWDY-RDGATRHJSA-N 2 1 450.627 3.666 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001307054518 1069816680 /nfs/dbraw/zinc/81/66/80/1069816680.db2.gz YGPSQARDRJSYKL-UHFFFAOYSA-N 2 1 498.716 3.895 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001307054518 1069816704 /nfs/dbraw/zinc/81/67/04/1069816704.db2.gz YGPSQARDRJSYKL-UHFFFAOYSA-N 2 1 498.716 3.895 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055552 1069823161 /nfs/dbraw/zinc/82/31/61/1069823161.db2.gz QAQJMPMCIUZUNB-VWPQPMDRSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055552 1069823191 /nfs/dbraw/zinc/82/31/91/1069823191.db2.gz QAQJMPMCIUZUNB-VWPQPMDRSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055552 1069823220 /nfs/dbraw/zinc/82/32/20/1069823220.db2.gz QAQJMPMCIUZUNB-VWPQPMDRSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307055552 1069823247 /nfs/dbraw/zinc/82/32/47/1069823247.db2.gz QAQJMPMCIUZUNB-VWPQPMDRSA-N 2 1 490.096 3.803 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307058175 1069838160 /nfs/dbraw/zinc/83/81/60/1069838160.db2.gz YIGOFYLFJJSDOO-UNMCSNQZSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001307058175 1069838194 /nfs/dbraw/zinc/83/81/94/1069838194.db2.gz YIGOFYLFJJSDOO-UNMCSNQZSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001307058175 1069838224 /nfs/dbraw/zinc/83/82/24/1069838224.db2.gz YIGOFYLFJJSDOO-UNMCSNQZSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001307058917 1069841436 /nfs/dbraw/zinc/84/14/36/1069841436.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001307058917 1069841461 /nfs/dbraw/zinc/84/14/61/1069841461.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001307058917 1069841494 /nfs/dbraw/zinc/84/14/94/1069841494.db2.gz OPXYJSPTPLMGRZ-XQBPLPMBSA-N 2 1 459.708 3.817 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314219391 1069862648 /nfs/dbraw/zinc/86/26/48/1069862648.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001314219391 1069862667 /nfs/dbraw/zinc/86/26/67/1069862667.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001314219391 1069862690 /nfs/dbraw/zinc/86/26/90/1069862690.db2.gz YDYQXFCIVFITCV-VJBWXMMDSA-N 2 1 484.689 3.907 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975583 /nfs/dbraw/zinc/97/55/83/1069975583.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975592 /nfs/dbraw/zinc/97/55/92/1069975592.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC001312500280 1069975603 /nfs/dbraw/zinc/97/56/03/1069975603.db2.gz OTBVIVXBZYJCAB-AHWVRZQESA-N 2 1 458.691 3.862 20 0 JHADMP COc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@]3(C)CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615547 1070045785 /nfs/dbraw/zinc/04/57/85/1070045785.db2.gz OIFCDPAQVWVVSU-HHHXNRCGSA-N 2 1 450.627 3.825 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)NC[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615547 1070045797 /nfs/dbraw/zinc/04/57/97/1070045797.db2.gz OIFCDPAQVWVVSU-HHHXNRCGSA-N 2 1 450.627 3.825 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)NC[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001312615547 1070045805 /nfs/dbraw/zinc/04/58/05/1070045805.db2.gz OIFCDPAQVWVVSU-HHHXNRCGSA-N 2 1 450.627 3.825 20 0 JHADMP COc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716970 1070142572 /nfs/dbraw/zinc/14/25/72/1070142572.db2.gz PWCOMFWVMPPUGX-HSZRJFAPSA-N 2 1 455.599 3.931 20 0 JHADMP COc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1OC ZINC001307716970 1070142579 /nfs/dbraw/zinc/14/25/79/1070142579.db2.gz PWCOMFWVMPPUGX-HSZRJFAPSA-N 2 1 455.599 3.931 20 0 JHADMP COc1ccccc1NC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC001307763637 1070173551 /nfs/dbraw/zinc/17/35/51/1070173551.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 2 1 450.583 3.833 20 0 JHADMP COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001307763637 1070173558 /nfs/dbraw/zinc/17/35/58/1070173558.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 2 1 450.583 3.833 20 0 JHADMP COc1ccccc1NC(=O)c1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001307763637 1070173562 /nfs/dbraw/zinc/17/35/62/1070173562.db2.gz PNJTZGBODNBGNU-CBQGHPETSA-N 2 1 450.583 3.833 20 0 JHADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307940109 1070250973 /nfs/dbraw/zinc/25/09/73/1070250973.db2.gz XCYJRGVUTHXRIV-ODOSVJCGSA-N 2 1 461.528 3.680 20 0 JHADMP Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)cc12 ZINC001308281133 1070351540 /nfs/dbraw/zinc/35/15/40/1070351540.db2.gz JBAVOXZVCTZPDX-UHFFFAOYSA-N 2 1 457.022 3.729 20 0 JHADMP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313448545 1070371857 /nfs/dbraw/zinc/37/18/57/1070371857.db2.gz RWOGCNJHGKPEMN-HBMCJLEFSA-N 2 1 458.626 3.504 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313448545 1070371871 /nfs/dbraw/zinc/37/18/71/1070371871.db2.gz RWOGCNJHGKPEMN-HBMCJLEFSA-N 2 1 458.626 3.504 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313448545 1070371883 /nfs/dbraw/zinc/37/18/83/1070371883.db2.gz RWOGCNJHGKPEMN-HBMCJLEFSA-N 2 1 458.626 3.504 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313448545 1070371898 /nfs/dbraw/zinc/37/18/98/1070371898.db2.gz RWOGCNJHGKPEMN-HBMCJLEFSA-N 2 1 458.626 3.504 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453356 /nfs/dbraw/zinc/45/33/56/1070453356.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453362 /nfs/dbraw/zinc/45/33/62/1070453362.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453364 /nfs/dbraw/zinc/45/33/64/1070453364.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453518 /nfs/dbraw/zinc/45/35/18/1070453518.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453524 /nfs/dbraw/zinc/45/35/24/1070453524.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453525 /nfs/dbraw/zinc/45/35/25/1070453525.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 2 1 456.578 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@@H+]2CC=CCC2)cc1OC ZINC001313501260 1070524310 /nfs/dbraw/zinc/52/43/10/1070524310.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501260 1070524316 /nfs/dbraw/zinc/52/43/16/1070524316.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 2 1 482.673 3.923 20 0 JHADMP CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CC=CCC2)cc1OC ZINC001313501260 1070524324 /nfs/dbraw/zinc/52/43/24/1070524324.db2.gz CUTDJHUNNBIAPW-VXKWHMMOSA-N 2 1 482.673 3.923 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001313571768 1070686221 /nfs/dbraw/zinc/68/62/21/1070686221.db2.gz GSNVUKZHYAAIBE-UHFFFAOYSA-N 2 1 461.658 3.927 20 0 JHADMP C[NH+](C)CC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001314665269 1070796751 /nfs/dbraw/zinc/79/67/51/1070796751.db2.gz NCZCTCBNVSODNL-UHFFFAOYSA-N 2 1 476.673 3.671 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313657926 1070857639 /nfs/dbraw/zinc/85/76/39/1070857639.db2.gz ADQKPJLFOMRBHF-NRFANRHFSA-N 2 1 465.646 3.643 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001313665774 1070881057 /nfs/dbraw/zinc/88/10/57/1070881057.db2.gz UJMGCEVEQCZJMO-ISKFKSNPSA-N 2 1 454.663 3.643 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313667415 1070888656 /nfs/dbraw/zinc/88/86/56/1070888656.db2.gz XYBJBSHRBIQDGH-HKBOAZHASA-N 2 1 460.692 3.847 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313668662 1070892678 /nfs/dbraw/zinc/89/26/78/1070892678.db2.gz RHBVWCRTBJOAEN-RPWUZVMVSA-N 2 1 498.716 3.894 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001313693003 1070953401 /nfs/dbraw/zinc/95/34/01/1070953401.db2.gz FZSMDFYCLSTIPT-DEOSSOPVSA-N 2 1 482.717 3.989 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cc[nH+]c2C)CC1 ZINC001313697791 1070968339 /nfs/dbraw/zinc/96/83/39/1070968339.db2.gz VCWDFXXJYDGUTF-UHFFFAOYSA-N 2 1 455.582 3.512 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001313707861 1070998698 /nfs/dbraw/zinc/99/86/98/1070998698.db2.gz TWIJSECFUMKNMU-NRFANRHFSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001313707861 1070998710 /nfs/dbraw/zinc/99/87/10/1070998710.db2.gz TWIJSECFUMKNMU-NRFANRHFSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001313707861 1070998721 /nfs/dbraw/zinc/99/87/21/1070998721.db2.gz TWIJSECFUMKNMU-NRFANRHFSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313719347 1071020356 /nfs/dbraw/zinc/02/03/56/1071020356.db2.gz OQCSATTUQJLXMF-RTWAWAEBSA-N 2 1 460.692 3.849 20 0 JHADMP CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313719096 1071019529 /nfs/dbraw/zinc/01/95/29/1071019529.db2.gz XRMVJRGSTPHNFJ-FQEVSTJZSA-N 2 1 461.054 3.631 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001313721089 1071022575 /nfs/dbraw/zinc/02/25/75/1071022575.db2.gz DQGRRZYJYMZQMI-HOYKHHGWSA-N 2 1 479.044 3.769 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001313724027 1071030157 /nfs/dbraw/zinc/03/01/57/1071030157.db2.gz MFBUJOWVZZAOEY-HSZRJFAPSA-N 2 1 461.658 3.707 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001313722699 1071027514 /nfs/dbraw/zinc/02/75/14/1071027514.db2.gz GIINZNOEJICETM-UXHICEINSA-N 2 1 455.676 3.959 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@H]1C)C(C)C ZINC001313819024 1071271492 /nfs/dbraw/zinc/27/14/92/1071271492.db2.gz FUHMGJHEZBLUTQ-RPWUZVMVSA-N 2 1 499.773 3.703 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314871538 1071284204 /nfs/dbraw/zinc/28/42/04/1071284204.db2.gz CCMXAHBIFHIEER-DEOSSOPVSA-N 2 1 486.680 4.000 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314871538 1071284210 /nfs/dbraw/zinc/28/42/10/1071284210.db2.gz CCMXAHBIFHIEER-DEOSSOPVSA-N 2 1 486.680 4.000 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861282 1071373474 /nfs/dbraw/zinc/37/34/74/1071373474.db2.gz QCGFUZUVOKHETK-FGZHOGPDSA-N 2 1 482.677 3.501 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001313864132 1071385180 /nfs/dbraw/zinc/38/51/80/1071385180.db2.gz XINAVSXMOHCNCX-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001313864132 1071385194 /nfs/dbraw/zinc/38/51/94/1071385194.db2.gz XINAVSXMOHCNCX-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385367 /nfs/dbraw/zinc/38/53/67/1071385367.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385379 /nfs/dbraw/zinc/38/53/79/1071385379.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 2 1 470.662 3.756 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313864057 1071385386 /nfs/dbraw/zinc/38/53/86/1071385386.db2.gz FULNRCGOQFYXBP-UXHICEINSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387018 /nfs/dbraw/zinc/38/70/18/1071387018.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387030 /nfs/dbraw/zinc/38/70/30/1071387030.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313864603 1071387040 /nfs/dbraw/zinc/38/70/40/1071387040.db2.gz ZDCTWUHFVHDJAU-MSOLQXFVSA-N 2 1 463.468 3.967 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313865164 1071391134 /nfs/dbraw/zinc/39/11/34/1071391134.db2.gz HZFQMSUESSQSNX-NHCUHLMSSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313865164 1071391141 /nfs/dbraw/zinc/39/11/41/1071391141.db2.gz HZFQMSUESSQSNX-NHCUHLMSSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313865164 1071391148 /nfs/dbraw/zinc/39/11/48/1071391148.db2.gz HZFQMSUESSQSNX-NHCUHLMSSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396439 /nfs/dbraw/zinc/39/64/39/1071396439.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396450 /nfs/dbraw/zinc/39/64/50/1071396450.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866899 1071396456 /nfs/dbraw/zinc/39/64/56/1071396456.db2.gz HRDNRBGTGWGTPW-GOTSBHOMSA-N 2 1 468.690 3.941 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001313870440 1071413202 /nfs/dbraw/zinc/41/32/02/1071413202.db2.gz RRYGOFPZWYZJBQ-WOJBJXKFSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313904836 1071519964 /nfs/dbraw/zinc/51/99/64/1071519964.db2.gz VDPDBEJDOQXXOP-HXUWFJFHSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313904836 1071519972 /nfs/dbraw/zinc/51/99/72/1071519972.db2.gz VDPDBEJDOQXXOP-HXUWFJFHSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313904836 1071519958 /nfs/dbraw/zinc/51/99/58/1071519958.db2.gz VDPDBEJDOQXXOP-HXUWFJFHSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313930262 1071588689 /nfs/dbraw/zinc/58/86/89/1071588689.db2.gz AULWWPXMYHYRIK-MRXNPFEDSA-N 2 1 490.425 3.972 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313930262 1071588697 /nfs/dbraw/zinc/58/86/97/1071588697.db2.gz AULWWPXMYHYRIK-MRXNPFEDSA-N 2 1 490.425 3.972 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001313932611 1071595715 /nfs/dbraw/zinc/59/57/15/1071595715.db2.gz IMTDDOGDFPRTLC-XMSQKQJNSA-N 2 1 454.644 3.849 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609606 /nfs/dbraw/zinc/60/96/06/1071609606.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609613 /nfs/dbraw/zinc/60/96/13/1071609613.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313936880 1071609616 /nfs/dbraw/zinc/60/96/16/1071609616.db2.gz QONDBTSOOQEMMM-SFTDATJTSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609794 /nfs/dbraw/zinc/60/97/94/1071609794.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609801 /nfs/dbraw/zinc/60/98/01/1071609801.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313936859 1071609803 /nfs/dbraw/zinc/60/98/03/1071609803.db2.gz QONDBTSOOQEMMM-LEWJYISDSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607297 /nfs/dbraw/zinc/60/72/97/1071607297.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607303 /nfs/dbraw/zinc/60/73/03/1071607303.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313935851 1071607305 /nfs/dbraw/zinc/60/73/05/1071607305.db2.gz JRNTXHJIGKGKTH-FGZHOGPDSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313936226 1071607896 /nfs/dbraw/zinc/60/78/96/1071607896.db2.gz NQVVZDQQXOHRBT-KRWDZBQOSA-N 2 1 472.435 3.833 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313936226 1071607900 /nfs/dbraw/zinc/60/79/00/1071607900.db2.gz NQVVZDQQXOHRBT-KRWDZBQOSA-N 2 1 472.435 3.833 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313936633 1071609078 /nfs/dbraw/zinc/60/90/78/1071609078.db2.gz HDNBRPKPZSPFBL-BHDDXSALSA-N 2 1 491.725 3.653 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941475 1071617647 /nfs/dbraw/zinc/61/76/47/1071617647.db2.gz UYMNSUXKJISSAI-XZOQPEGZSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313945053 1071625637 /nfs/dbraw/zinc/62/56/37/1071625637.db2.gz GEXNYVOIBKBRDS-RXVVDRJESA-N 2 1 457.022 3.949 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC001313947198 1071630797 /nfs/dbraw/zinc/63/07/97/1071630797.db2.gz GJJQTWFSWNRZGM-VQTJNVASSA-N 2 1 484.670 3.761 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313947199 1071631245 /nfs/dbraw/zinc/63/12/45/1071631245.db2.gz GJJQTWFSWNRZGM-WOJBJXKFSA-N 2 1 484.670 3.761 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313953057 1071647613 /nfs/dbraw/zinc/64/76/13/1071647613.db2.gz FWASJFGOABNSCL-BJKOFHAPSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313953057 1071647615 /nfs/dbraw/zinc/64/76/15/1071647615.db2.gz FWASJFGOABNSCL-BJKOFHAPSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313953057 1071647623 /nfs/dbraw/zinc/64/76/23/1071647623.db2.gz FWASJFGOABNSCL-BJKOFHAPSA-N 2 1 467.706 3.590 20 0 JHADMP CCc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CC[NH+](C(C)C)C(C)C ZINC001306176111 1068567605 /nfs/dbraw/zinc/56/76/05/1068567605.db2.gz PNBFSSBMSJKYEX-HHHXNRCGSA-N 2 1 468.690 3.831 20 0 JHADMP CCc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CC[NH+](C(C)C)C(C)C ZINC001306176111 1068567619 /nfs/dbraw/zinc/56/76/19/1068567619.db2.gz PNBFSSBMSJKYEX-HHHXNRCGSA-N 2 1 468.690 3.831 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306205539 1068595998 /nfs/dbraw/zinc/59/59/98/1068595998.db2.gz MNUDTYOJQMTIKI-HXUWFJFHSA-N 2 1 454.644 3.536 20 0 JHADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306405067 1068871501 /nfs/dbraw/zinc/87/15/01/1068871501.db2.gz YEQCQTPOOIIFKT-MZKRTTBSSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001306405067 1068871516 /nfs/dbraw/zinc/87/15/16/1068871516.db2.gz YEQCQTPOOIIFKT-MZKRTTBSSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306433413 1068935744 /nfs/dbraw/zinc/93/57/44/1068935744.db2.gz KYPFVWFGLDRZRJ-YFNKSVMNSA-N 2 1 468.690 3.717 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001310675152 1069103303 /nfs/dbraw/zinc/10/33/03/1069103303.db2.gz OVJBMNRRKVDUDG-LBPRGKRZSA-N 2 1 455.319 3.741 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC001310675152 1069103310 /nfs/dbraw/zinc/10/33/10/1069103310.db2.gz OVJBMNRRKVDUDG-LBPRGKRZSA-N 2 1 455.319 3.741 20 0 JHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001306586537 1069253303 /nfs/dbraw/zinc/25/33/03/1069253303.db2.gz IDBHYYYPZPCUQS-ISKFKSNPSA-N 2 1 452.599 3.539 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCOC ZINC001306615134 1069295186 /nfs/dbraw/zinc/29/51/86/1069295186.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615134 1069295199 /nfs/dbraw/zinc/29/51/99/1069295199.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615134 1069295208 /nfs/dbraw/zinc/29/52/08/1069295208.db2.gz DRBLRKHFTYUIJO-FTJBHMTQSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCOC ZINC001306615139 1069295278 /nfs/dbraw/zinc/29/52/78/1069295278.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615139 1069295287 /nfs/dbraw/zinc/29/52/87/1069295287.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615139 1069295302 /nfs/dbraw/zinc/29/53/02/1069295302.db2.gz DRBLRKHFTYUIJO-UIOOFZCWSA-N 2 1 468.690 3.826 20 0 JHADMP Cc1[nH+]cc2n1CCN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164440890 718990609 /nfs/dbraw/zinc/99/06/09/718990609.db2.gz SRQCWKPGSNWDHT-UHFFFAOYSA-N 2 1 463.969 3.922 20 0 JHADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164620786 719017752 /nfs/dbraw/zinc/01/77/52/719017752.db2.gz ZMMDEKYODVNVLV-HNJRGHQBSA-N 2 1 483.682 3.532 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)n1 ZINC001164641827 719267055 /nfs/dbraw/zinc/26/70/55/719267055.db2.gz WWVCKNZFZUXGCL-UHFFFAOYSA-N 2 1 478.626 3.912 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833410 720322124 /nfs/dbraw/zinc/32/21/24/720322124.db2.gz WVRCXLXBLGVTEJ-ZEQRLZLVSA-N 2 1 476.600 3.530 20 0 JHADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164733010 720524757 /nfs/dbraw/zinc/52/47/57/720524757.db2.gz IFJYUVRXEDLEJN-LJQANCHMSA-N 2 1 479.698 3.951 20 0 JHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751730 720901252 /nfs/dbraw/zinc/90/12/52/720901252.db2.gz DDERNGUTZUXULT-WNJJXGMVSA-N 2 1 491.680 3.706 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746495 720907375 /nfs/dbraw/zinc/90/73/75/720907375.db2.gz AZAWDNNGSFBIEC-RBISFHTESA-N 2 1 489.620 3.890 20 0 JHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750170 720908632 /nfs/dbraw/zinc/90/86/32/720908632.db2.gz JNWWOEZAHQEMIU-IGKIAQTJSA-N 2 1 462.642 3.617 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc[nH+]c(N4CCCCC4)n2)C3)c1 ZINC001164750170 720908639 /nfs/dbraw/zinc/90/86/39/720908639.db2.gz JNWWOEZAHQEMIU-IGKIAQTJSA-N 2 1 462.642 3.617 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753134 720931121 /nfs/dbraw/zinc/93/11/21/720931121.db2.gz QHSRBAVRUNYXSD-VAVYLYDRSA-N 2 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753134 720931125 /nfs/dbraw/zinc/93/11/25/720931125.db2.gz QHSRBAVRUNYXSD-VAVYLYDRSA-N 3 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753134 720931129 /nfs/dbraw/zinc/93/11/29/720931129.db2.gz QHSRBAVRUNYXSD-VAVYLYDRSA-N 3 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753132 720931713 /nfs/dbraw/zinc/93/17/13/720931713.db2.gz QHSRBAVRUNYXSD-IRPSRAIASA-N 2 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753132 720931721 /nfs/dbraw/zinc/93/17/21/720931721.db2.gz QHSRBAVRUNYXSD-IRPSRAIASA-N 3 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2)CC1 ZINC001164753132 720931727 /nfs/dbraw/zinc/93/17/27/720931727.db2.gz QHSRBAVRUNYXSD-IRPSRAIASA-N 3 1 491.680 3.705 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)c2c1C ZINC001165014072 721766961 /nfs/dbraw/zinc/76/69/61/721766961.db2.gz CITLRMSIEIJXEW-UHFFFAOYSA-N 2 1 489.653 3.722 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979845 722124104 /nfs/dbraw/zinc/12/41/04/722124104.db2.gz QMEACMGEJUHGJZ-DHLKQENFSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979845 722124109 /nfs/dbraw/zinc/12/41/09/722124109.db2.gz QMEACMGEJUHGJZ-DHLKQENFSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979851 722124204 /nfs/dbraw/zinc/12/42/04/722124204.db2.gz QMEACMGEJUHGJZ-WIOPSUGQSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979851 722124208 /nfs/dbraw/zinc/12/42/08/722124208.db2.gz QMEACMGEJUHGJZ-WIOPSUGQSA-N 2 1 472.568 3.741 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165004986 722256444 /nfs/dbraw/zinc/25/64/44/722256444.db2.gz ZDFCKWZWTWNKBG-UHFFFAOYSA-N 2 1 497.713 3.979 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306631602 1069332473 /nfs/dbraw/zinc/33/24/73/1069332473.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 2 1 462.727 3.926 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306631602 1069332487 /nfs/dbraw/zinc/33/24/87/1069332487.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 2 1 462.727 3.926 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306631602 1069332499 /nfs/dbraw/zinc/33/24/99/1069332499.db2.gz SOUVNGCIUUFJIZ-QFIPXVFZSA-N 2 1 462.727 3.926 20 0 JHADMP C[N@H+](CCCNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001311400066 1069362178 /nfs/dbraw/zinc/36/21/78/1069362178.db2.gz KJZJRALLPHTEMN-UHFFFAOYSA-N 2 1 450.071 3.806 20 0 JHADMP C[N@@H+](CCCNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C1CCCCC1 ZINC001311400066 1069362185 /nfs/dbraw/zinc/36/21/85/1069362185.db2.gz KJZJRALLPHTEMN-UHFFFAOYSA-N 2 1 450.071 3.806 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC001306652773 1069363689 /nfs/dbraw/zinc/36/36/89/1069363689.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001306652773 1069363698 /nfs/dbraw/zinc/36/36/98/1069363698.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC001306652773 1069363707 /nfs/dbraw/zinc/36/37/07/1069363707.db2.gz YDYXMXZCUIOMCQ-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069369976 /nfs/dbraw/zinc/36/99/76/1069369976.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069369987 /nfs/dbraw/zinc/36/99/87/1069369987.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069369997 /nfs/dbraw/zinc/36/99/97/1069369997.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370008 /nfs/dbraw/zinc/37/00/08/1069370008.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370016 /nfs/dbraw/zinc/37/00/16/1069370016.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370024 /nfs/dbraw/zinc/37/00/24/1069370024.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001311422352 1069370031 /nfs/dbraw/zinc/37/00/31/1069370031.db2.gz HQHSMDABYGCPRS-USZFVNFHSA-N 2 1 455.691 3.661 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306679365 1069403812 /nfs/dbraw/zinc/40/38/12/1069403812.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 2 1 467.662 3.554 20 0 JHADMP CCCC[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306679365 1069403816 /nfs/dbraw/zinc/40/38/16/1069403816.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 2 1 467.662 3.554 20 0 JHADMP CCCC[NH+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306679365 1069403821 /nfs/dbraw/zinc/40/38/21/1069403821.db2.gz IIQZFZWDGIZIAX-HSZRJFAPSA-N 2 1 467.662 3.554 20 0 JHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497935 1069407010 /nfs/dbraw/zinc/40/70/10/1069407010.db2.gz SHFMDCKHMIXCES-AVJFOWIRSA-N 2 1 450.627 3.758 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306681773 1069411789 /nfs/dbraw/zinc/41/17/89/1069411789.db2.gz UATPGGKBIQTBHO-URVUXULASA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001306681773 1069411795 /nfs/dbraw/zinc/41/17/95/1069411795.db2.gz UATPGGKBIQTBHO-URVUXULASA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001306681773 1069411800 /nfs/dbraw/zinc/41/18/00/1069411800.db2.gz UATPGGKBIQTBHO-URVUXULASA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001306682505 1069413937 /nfs/dbraw/zinc/41/39/37/1069413937.db2.gz JDZFWFOJFYBPHI-UHFFFAOYSA-N 2 1 475.479 3.972 20 0 JHADMP CN(C(=O)N[C@H](COc1ccccc1F)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001311526632 1069423904 /nfs/dbraw/zinc/42/39/04/1069423904.db2.gz XUXBZIBACKCSLU-LADGPHEKSA-N 2 1 454.590 3.756 20 0 JHADMP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574369 1069445667 /nfs/dbraw/zinc/44/56/67/1069445667.db2.gz RVGPBBNUDYUJMP-UKILVPOCSA-N 2 1 450.627 3.996 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311577243 1069446413 /nfs/dbraw/zinc/44/64/13/1069446413.db2.gz SEJWNHNBOFFOBA-RJGXRXQPSA-N 2 1 456.656 3.864 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311577243 1069446417 /nfs/dbraw/zinc/44/64/17/1069446417.db2.gz SEJWNHNBOFFOBA-RJGXRXQPSA-N 2 1 456.656 3.864 20 0 JHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001311573221 1069444580 /nfs/dbraw/zinc/44/45/80/1069444580.db2.gz USRNLCJFZFQGKN-REWPJTCUSA-N 2 1 455.672 3.561 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306721353 1069457414 /nfs/dbraw/zinc/45/74/14/1069457414.db2.gz XKGZCFNYROFYFV-QHCPKHFHSA-N 2 1 473.710 3.526 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306721353 1069457416 /nfs/dbraw/zinc/45/74/16/1069457416.db2.gz XKGZCFNYROFYFV-QHCPKHFHSA-N 2 1 473.710 3.526 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001306721353 1069457420 /nfs/dbraw/zinc/45/74/20/1069457420.db2.gz XKGZCFNYROFYFV-QHCPKHFHSA-N 2 1 473.710 3.526 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718800 1069517805 /nfs/dbraw/zinc/51/78/05/1069517805.db2.gz JKKQOWWIDZHXLW-LXGFNABISA-N 2 1 458.569 3.885 20 0 JHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718800 1069517810 /nfs/dbraw/zinc/51/78/10/1069517810.db2.gz JKKQOWWIDZHXLW-LXGFNABISA-N 2 1 458.569 3.885 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001306805301 1069615719 /nfs/dbraw/zinc/61/57/19/1069615719.db2.gz XVDWIIJEUDNZHI-ISKFKSNPSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001306805301 1069615723 /nfs/dbraw/zinc/61/57/23/1069615723.db2.gz XVDWIIJEUDNZHI-ISKFKSNPSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001306805301 1069615729 /nfs/dbraw/zinc/61/57/29/1069615729.db2.gz XVDWIIJEUDNZHI-ISKFKSNPSA-N 2 1 454.663 3.962 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@@H]3C)n2CCC[N@@H+](C)C(C)C)cc1OC ZINC001314169816 1069678052 /nfs/dbraw/zinc/67/80/52/1069678052.db2.gz NUBHVOPRNVUQQI-RBBKRZOGSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169816 1069678056 /nfs/dbraw/zinc/67/80/56/1069678056.db2.gz NUBHVOPRNVUQQI-RBBKRZOGSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169816 1069678058 /nfs/dbraw/zinc/67/80/58/1069678058.db2.gz NUBHVOPRNVUQQI-RBBKRZOGSA-N 2 1 470.662 3.756 20 0 JHADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066198 1069701961 /nfs/dbraw/zinc/70/19/61/1069701961.db2.gz JLQKNCVRNUFNOY-HRNNMHKYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312066198 1069701969 /nfs/dbraw/zinc/70/19/69/1069701969.db2.gz JLQKNCVRNUFNOY-HRNNMHKYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312066198 1069701978 /nfs/dbraw/zinc/70/19/78/1069701978.db2.gz JLQKNCVRNUFNOY-HRNNMHKYSA-N 2 1 452.643 3.732 20 0 JHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312066198 1069701985 /nfs/dbraw/zinc/70/19/85/1069701985.db2.gz JLQKNCVRNUFNOY-HRNNMHKYSA-N 2 1 452.643 3.732 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189147 1069746588 /nfs/dbraw/zinc/74/65/88/1069746588.db2.gz QMYMWCJGZHSRCN-QFQXNSOFSA-N 2 1 486.730 3.950 20 0 JHADMP CCC[NH+]1CCC(Cn2c(N3CCC[N@H+](C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001307045911 1069783264 /nfs/dbraw/zinc/78/32/64/1069783264.db2.gz HMIZHXFIMJYGBN-MHZLTWQESA-N 2 1 490.737 3.751 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307047285 1069788221 /nfs/dbraw/zinc/78/82/21/1069788221.db2.gz ROIQCWXUIAGBMI-YTFSRNRJSA-N 2 1 460.711 3.849 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307047285 1069788230 /nfs/dbraw/zinc/78/82/30/1069788230.db2.gz ROIQCWXUIAGBMI-YTFSRNRJSA-N 2 1 460.711 3.849 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307047285 1069788239 /nfs/dbraw/zinc/78/82/39/1069788239.db2.gz ROIQCWXUIAGBMI-YTFSRNRJSA-N 2 1 460.711 3.849 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001314201230 1069795465 /nfs/dbraw/zinc/79/54/65/1069795465.db2.gz VOTIJDFJPXRHIN-JOCHJYFZSA-N 2 1 482.673 3.999 20 0 JHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266528 1069823696 /nfs/dbraw/zinc/82/36/96/1069823696.db2.gz RWBNHJSSQFAOFP-UWJYYQICSA-N 2 1 451.453 3.785 20 0 JHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266528 1069823714 /nfs/dbraw/zinc/82/37/14/1069823714.db2.gz RWBNHJSSQFAOFP-UWJYYQICSA-N 2 1 451.453 3.785 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486857 1069965461 /nfs/dbraw/zinc/96/54/61/1069965461.db2.gz CXCBDSHYQINYSZ-IEZKXTBUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486857 1069965476 /nfs/dbraw/zinc/96/54/76/1069965476.db2.gz CXCBDSHYQINYSZ-IEZKXTBUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001312486857 1069965494 /nfs/dbraw/zinc/96/54/94/1069965494.db2.gz CXCBDSHYQINYSZ-IEZKXTBUSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001312486857 1069965500 /nfs/dbraw/zinc/96/55/00/1069965500.db2.gz CXCBDSHYQINYSZ-IEZKXTBUSA-N 2 1 452.668 3.671 20 0 JHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001307412106 1069971505 /nfs/dbraw/zinc/97/15/05/1069971505.db2.gz CHPFBASSHRHHPJ-MRXNPFEDSA-N 2 1 457.446 3.881 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001313446928 1070365427 /nfs/dbraw/zinc/36/54/27/1070365427.db2.gz DQISNYCCRPZHCE-HQNXYIODSA-N 2 1 487.737 3.772 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C[C@H]1CC ZINC001314494127 1070409083 /nfs/dbraw/zinc/40/90/83/1070409083.db2.gz NMGSXZYEMBZOMI-HSZRJFAPSA-N 2 1 490.737 3.548 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1CC ZINC001314494128 1070409131 /nfs/dbraw/zinc/40/91/31/1070409131.db2.gz NMGSXZYEMBZOMI-QHCPKHFHSA-N 2 1 490.737 3.548 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1CC ZINC001314496104 1070416273 /nfs/dbraw/zinc/41/62/73/1070416273.db2.gz NFRFFRZJYWHDTM-BKMJKUGQSA-N 2 1 486.730 3.628 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314496917 1070418875 /nfs/dbraw/zinc/41/88/75/1070418875.db2.gz NUFJYGSWOAKZPA-OAQYLSRUSA-N 2 1 475.081 3.877 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001314496781 1070418913 /nfs/dbraw/zinc/41/89/13/1070418913.db2.gz UNOKCGBHCAVROY-VXKWHMMOSA-N 2 1 483.705 3.564 20 0 JHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876159 1070453261 /nfs/dbraw/zinc/45/32/61/1070453261.db2.gz JXOSDIHKYJETLS-AZUAARDMSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876159 1070453263 /nfs/dbraw/zinc/45/32/63/1070453263.db2.gz JXOSDIHKYJETLS-AZUAARDMSA-N 2 1 456.578 3.923 20 0 JHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876159 1070453267 /nfs/dbraw/zinc/45/32/67/1070453267.db2.gz JXOSDIHKYJETLS-AZUAARDMSA-N 2 1 456.578 3.923 20 0 JHADMP O=S(=O)(NCC[NH+]1CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309056389 1070511898 /nfs/dbraw/zinc/51/18/98/1070511898.db2.gz NMXLGKDUBPIVLM-BJKOFHAPSA-N 2 1 462.059 3.713 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC001309294746 1070676620 /nfs/dbraw/zinc/67/66/20/1070676620.db2.gz KREFNUPIOOLHQK-GVXSCFBNSA-N 2 1 457.684 3.859 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654866 1070770940 /nfs/dbraw/zinc/77/09/40/1070770940.db2.gz ILAQRHSRIRMKCE-GOTSBHOMSA-N 2 1 460.711 3.678 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001313664557 1070877352 /nfs/dbraw/zinc/87/73/52/1070877352.db2.gz MLLBLKIMZNIAHN-BJKOFHAPSA-N 2 1 454.663 3.786 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001313670000 1070896333 /nfs/dbraw/zinc/89/63/33/1070896333.db2.gz XPYQBIDISYJPCW-NVQXNPDNSA-N 2 1 476.710 3.504 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313672342 1070903124 /nfs/dbraw/zinc/90/31/24/1070903124.db2.gz VQYJOESTZYXFPQ-VSKRKVRLSA-N 2 1 488.746 3.986 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672755 1070904799 /nfs/dbraw/zinc/90/47/99/1070904799.db2.gz AWBFCDOHHUKANF-CJFMBICVSA-N 2 1 458.651 3.553 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001313694524 1070957262 /nfs/dbraw/zinc/95/72/62/1070957262.db2.gz GLRZGGWIYYPNBT-UHFFFAOYSA-N 2 1 478.689 3.878 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001313702374 1070984262 /nfs/dbraw/zinc/98/42/62/1070984262.db2.gz GYMHDVQMMKDUIY-DEOSSOPVSA-N 2 1 468.690 3.767 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313704128 1070988590 /nfs/dbraw/zinc/98/85/90/1070988590.db2.gz GSDXLVHHKNZMHF-YZUZCNPQSA-N 2 1 454.663 3.591 20 0 JHADMP C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314850846 1071218685 /nfs/dbraw/zinc/21/86/85/1071218685.db2.gz NWMGTXQQHIXUHK-QHCPKHFHSA-N 2 1 460.711 3.822 20 0 JHADMP C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314850846 1071218695 /nfs/dbraw/zinc/21/86/95/1071218695.db2.gz NWMGTXQQHIXUHK-QHCPKHFHSA-N 2 1 460.711 3.822 20 0 JHADMP CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC001313813901 1071256340 /nfs/dbraw/zinc/25/63/40/1071256340.db2.gz HHSQSLZMPMJXNW-NHCUHLMSSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1)C(C)C ZINC001313813901 1071256345 /nfs/dbraw/zinc/25/63/45/1071256345.db2.gz HHSQSLZMPMJXNW-NHCUHLMSSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859289 1071363582 /nfs/dbraw/zinc/36/35/82/1071363582.db2.gz FNKZYMIJWSNHHL-ZIFCJYIRSA-N 2 1 480.499 3.931 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380255 /nfs/dbraw/zinc/38/02/55/1071380255.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380259 /nfs/dbraw/zinc/38/02/59/1071380259.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313863210 1071380269 /nfs/dbraw/zinc/38/02/69/1071380269.db2.gz RZGFIWLPWWGWCK-FYQPLNBISA-N 2 1 458.626 3.959 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865363 1071392283 /nfs/dbraw/zinc/39/22/83/1071392283.db2.gz ANMCFSZUMHVXBL-QPXUXIHVSA-N 2 1 482.717 3.870 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865363 1071392297 /nfs/dbraw/zinc/39/22/97/1071392297.db2.gz ANMCFSZUMHVXBL-QPXUXIHVSA-N 2 1 482.717 3.870 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865363 1071392311 /nfs/dbraw/zinc/39/23/11/1071392311.db2.gz ANMCFSZUMHVXBL-QPXUXIHVSA-N 2 1 482.717 3.870 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001313867071 1071397211 /nfs/dbraw/zinc/39/72/11/1071397211.db2.gz JFWKFDPDHWOKJI-RPWUZVMVSA-N 2 1 481.733 3.998 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872805 1071421941 /nfs/dbraw/zinc/42/19/41/1071421941.db2.gz XIZKWPBUFKVKRR-FGZHOGPDSA-N 2 1 460.711 3.819 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441497 /nfs/dbraw/zinc/44/14/97/1071441497.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441502 /nfs/dbraw/zinc/44/15/02/1071441502.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001313877436 1071441508 /nfs/dbraw/zinc/44/15/08/1071441508.db2.gz TZXMLXWULVFOKY-QHAWAJNXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313878935 1071446683 /nfs/dbraw/zinc/44/66/83/1071446683.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313878935 1071446689 /nfs/dbraw/zinc/44/66/89/1071446689.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313878935 1071446694 /nfs/dbraw/zinc/44/66/94/1071446694.db2.gz WJRKWEWSSMWYHV-FSSWDIPSSA-N 2 1 470.662 3.659 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313878930 1071446990 /nfs/dbraw/zinc/44/69/90/1071446990.db2.gz WITVUJXYGZWPCK-RPWUZVMVSA-N 2 1 498.716 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879202 1071448510 /nfs/dbraw/zinc/44/85/10/1071448510.db2.gz ZCKCVVFXYMNEKD-ZLNRFVROSA-N 2 1 484.689 3.905 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879190 1071448537 /nfs/dbraw/zinc/44/85/37/1071448537.db2.gz YVZGTFZCYBFSEQ-VJBWXMMDSA-N 2 1 482.677 3.735 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456086 /nfs/dbraw/zinc/45/60/86/1071456086.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456091 /nfs/dbraw/zinc/45/60/91/1071456091.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313881757 1071456095 /nfs/dbraw/zinc/45/60/95/1071456095.db2.gz CRJICTLTBFNOAJ-JBPLPALLSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313881977 1071456831 /nfs/dbraw/zinc/45/68/31/1071456831.db2.gz DYTZILREWLRVPG-JOCHJYFZSA-N 2 1 468.690 3.724 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886306 1071469985 /nfs/dbraw/zinc/46/99/85/1071469985.db2.gz RKIRXANBWLSVJD-GXRSIYKFSA-N 2 1 492.778 3.943 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001313890145 1071482412 /nfs/dbraw/zinc/48/24/12/1071482412.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001313890145 1071482415 /nfs/dbraw/zinc/48/24/15/1071482415.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001313890145 1071482422 /nfs/dbraw/zinc/48/24/22/1071482422.db2.gz MIXQFFPZKNQXNV-ZWKOTPCHSA-N 2 1 491.478 3.588 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895296 1071496499 /nfs/dbraw/zinc/49/64/99/1071496499.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895296 1071496501 /nfs/dbraw/zinc/49/65/01/1071496501.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895296 1071496506 /nfs/dbraw/zinc/49/65/06/1071496506.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895296 1071496510 /nfs/dbraw/zinc/49/65/10/1071496510.db2.gz ZPIBMGUXVPLBMR-SRUXOGRHSA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928382 1071583754 /nfs/dbraw/zinc/58/37/54/1071583754.db2.gz BNTSAHQPHIWFRM-LADGPHEKSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001313930237 1071588942 /nfs/dbraw/zinc/58/89/42/1071588942.db2.gz AKYMXNWNPQBOPB-UTKZUKDTSA-N 2 1 486.462 3.869 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607134 /nfs/dbraw/zinc/60/71/34/1071607134.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607137 /nfs/dbraw/zinc/60/71/37/1071607137.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 2 1 479.442 3.861 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313935802 1071607139 /nfs/dbraw/zinc/60/71/39/1071607139.db2.gz YXSXWRLIELPQHI-IRXDYDNUSA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615610 /nfs/dbraw/zinc/61/56/10/1071615610.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615613 /nfs/dbraw/zinc/61/56/13/1071615613.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313940857 1071615614 /nfs/dbraw/zinc/61/56/14/1071615614.db2.gz PNKOBHAVHHKWJG-TZIWHRDSSA-N 2 1 459.708 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313943795 1071623807 /nfs/dbraw/zinc/62/38/07/1071623807.db2.gz WHCDSAQUYUAGSZ-QFIPXVFZSA-N 2 1 486.730 3.832 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313945055 1071625726 /nfs/dbraw/zinc/62/57/26/1071625726.db2.gz GEXNYVOIBKBRDS-WIYYLYMNSA-N 2 1 457.022 3.949 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001313946399 1071628525 /nfs/dbraw/zinc/62/85/25/1071628525.db2.gz RKGYRVBLFKSWGF-WIOPSUGQSA-N 2 1 461.658 3.877 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629969 /nfs/dbraw/zinc/62/99/69/1071629969.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629973 /nfs/dbraw/zinc/62/99/73/1071629973.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001313946806 1071629975 /nfs/dbraw/zinc/62/99/75/1071629975.db2.gz CDOZXEJCPAJYPE-DHIUTWEWSA-N 2 1 484.689 3.764 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656209 /nfs/dbraw/zinc/65/62/09/1071656209.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 2 1 459.727 3.520 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656214 /nfs/dbraw/zinc/65/62/14/1071656214.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 2 1 459.727 3.520 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955637 1071656220 /nfs/dbraw/zinc/65/62/20/1071656220.db2.gz UETVSDPHKPBHJE-JOCHJYFZSA-N 2 1 459.727 3.520 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001314127103 1072036897 /nfs/dbraw/zinc/03/68/97/1072036897.db2.gz UZVPLJDIBWGDKD-WXVAWEFUSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001314127103 1072036908 /nfs/dbraw/zinc/03/69/08/1072036908.db2.gz UZVPLJDIBWGDKD-WXVAWEFUSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CCOC1 ZINC001314127103 1072036919 /nfs/dbraw/zinc/03/69/19/1072036919.db2.gz UZVPLJDIBWGDKD-WXVAWEFUSA-N 2 1 490.737 3.751 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001305935755 1068237690 /nfs/dbraw/zinc/23/76/90/1068237690.db2.gz RVKKYUNUINSUHY-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001305935755 1068237693 /nfs/dbraw/zinc/23/76/93/1068237693.db2.gz RVKKYUNUINSUHY-UHFFFAOYSA-N 2 1 468.690 3.929 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001306205091 1068594888 /nfs/dbraw/zinc/59/48/88/1068594888.db2.gz DCLVQOAHBVUKMF-JOCHJYFZSA-N 2 1 454.663 3.826 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001306205091 1068594895 /nfs/dbraw/zinc/59/48/95/1068594895.db2.gz DCLVQOAHBVUKMF-JOCHJYFZSA-N 2 1 454.663 3.826 20 0 JHADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321765 1068752509 /nfs/dbraw/zinc/75/25/09/1068752509.db2.gz BQWDWZUHYFMKSV-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321765 1068752514 /nfs/dbraw/zinc/75/25/14/1068752514.db2.gz BQWDWZUHYFMKSV-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321765 1068752523 /nfs/dbraw/zinc/75/25/23/1068752523.db2.gz BQWDWZUHYFMKSV-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321765 1068752528 /nfs/dbraw/zinc/75/25/28/1068752528.db2.gz BQWDWZUHYFMKSV-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306386601 1068820433 /nfs/dbraw/zinc/82/04/33/1068820433.db2.gz JYVFWKFOVOYSCN-SFTDATJTSA-N 2 1 460.692 3.847 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC001306390396 1068828339 /nfs/dbraw/zinc/82/83/39/1068828339.db2.gz RPJWMIINQVTUDR-ZLNRFVROSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCCC[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC001306390396 1068828362 /nfs/dbraw/zinc/82/83/62/1068828362.db2.gz RPJWMIINQVTUDR-ZLNRFVROSA-N 2 1 460.711 3.777 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@H](C)[NH+](C)C)CC[N@H+]1CCOC ZINC001306405623 1068874391 /nfs/dbraw/zinc/87/43/91/1068874391.db2.gz FMRKZTHSXQQXFU-IRFCIJBXSA-N 2 1 474.719 3.629 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306410137 1068890406 /nfs/dbraw/zinc/89/04/06/1068890406.db2.gz CYHIWYCYGZHQCQ-FDFHNCONSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306410137 1068890416 /nfs/dbraw/zinc/89/04/16/1068890416.db2.gz CYHIWYCYGZHQCQ-FDFHNCONSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306410137 1068890423 /nfs/dbraw/zinc/89/04/23/1068890423.db2.gz CYHIWYCYGZHQCQ-FDFHNCONSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001306410516 1068892119 /nfs/dbraw/zinc/89/21/19/1068892119.db2.gz DWDPDZQEWZDQMS-ZDXQCDESSA-N 2 1 454.663 3.531 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001306410515 1068892151 /nfs/dbraw/zinc/89/21/51/1068892151.db2.gz DWDPDZQEWZDQMS-WMTXJRDZSA-N 2 1 454.663 3.531 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306432634 1068934098 /nfs/dbraw/zinc/93/40/98/1068934098.db2.gz GAKAZPVGLGGNNK-BHIFYINESA-N 2 1 460.711 3.534 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306432634 1068934111 /nfs/dbraw/zinc/93/41/11/1068934111.db2.gz GAKAZPVGLGGNNK-BHIFYINESA-N 2 1 460.711 3.534 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1CCOC ZINC001306618304 1069301061 /nfs/dbraw/zinc/30/10/61/1069301061.db2.gz ONTVQYROOTXKHX-HSZRJFAPSA-N 2 1 456.679 3.623 20 0 JHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620782 719008305 /nfs/dbraw/zinc/00/83/05/719008305.db2.gz ZLVZTPBWAMEGML-VAVYLYDRSA-N 2 1 474.649 3.789 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5nccn5C[C@H](C[NH+](C)C)C4)c23)C1 ZINC001164732873 720524592 /nfs/dbraw/zinc/52/45/92/720524592.db2.gz GNUJIUFKUIILQD-MOPGFXCFSA-N 2 1 479.698 3.806 20 0 JHADMP CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842936 720534729 /nfs/dbraw/zinc/53/47/29/720534729.db2.gz ZASNPHMKPHGPTI-ONBPZOJHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842936 720534736 /nfs/dbraw/zinc/53/47/36/720534736.db2.gz ZASNPHMKPHGPTI-ONBPZOJHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842936 720534738 /nfs/dbraw/zinc/53/47/38/720534738.db2.gz ZASNPHMKPHGPTI-ONBPZOJHSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842936 720534744 /nfs/dbraw/zinc/53/47/44/720534744.db2.gz ZASNPHMKPHGPTI-ONBPZOJHSA-N 2 1 471.653 3.609 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741141 720832031 /nfs/dbraw/zinc/83/20/31/720832031.db2.gz DENUVJYBSXBKBW-QQKQFIJSSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164741141 720832033 /nfs/dbraw/zinc/83/20/33/720832033.db2.gz DENUVJYBSXBKBW-QQKQFIJSSA-N 2 1 486.599 3.590 20 0 JHADMP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]c(N5CCCC5)cc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164745199 720850157 /nfs/dbraw/zinc/85/01/57/720850157.db2.gz MPJPVXWGDVUPTB-JBRSBNLGSA-N 2 1 457.626 3.806 20 0 JHADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164862172 720875562 /nfs/dbraw/zinc/87/55/62/720875562.db2.gz RATHQOHYXSLMAW-IRLDBZIGSA-N 2 1 499.725 3.730 20 0 JHADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@@H]2C1 ZINC001164862172 720875565 /nfs/dbraw/zinc/87/55/65/720875565.db2.gz RATHQOHYXSLMAW-IRLDBZIGSA-N 2 1 499.725 3.730 20 0 JHADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864413 720876278 /nfs/dbraw/zinc/87/62/78/720876278.db2.gz VRTFHRJLXHZVGQ-IRLDBZIGSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864413 720876279 /nfs/dbraw/zinc/87/62/79/720876279.db2.gz VRTFHRJLXHZVGQ-IRLDBZIGSA-N 2 1 499.725 3.585 20 0 JHADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747358 720908885 /nfs/dbraw/zinc/90/88/85/720908885.db2.gz CTBYEPYGHKFFMX-IXCJQBJRSA-N 2 1 461.654 3.828 20 0 JHADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767722 721201090 /nfs/dbraw/zinc/20/10/90/721201090.db2.gz KLAOHWGGUXNRLB-RTWAWAEBSA-N 2 1 491.709 3.858 20 0 JHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767722 721201092 /nfs/dbraw/zinc/20/10/92/721201092.db2.gz KLAOHWGGUXNRLB-RTWAWAEBSA-N 2 1 491.709 3.858 20 0 JHADMP FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906526 721696143 /nfs/dbraw/zinc/69/61/43/721696143.db2.gz NICFAAMJFBJHEO-JOCHJYFZSA-N 2 1 462.976 3.730 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951265 721991285 /nfs/dbraw/zinc/99/12/85/721991285.db2.gz LQONGRYTWWFROG-QQKQFIJSSA-N 2 1 476.687 3.618 20 0 JHADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341150 /nfs/dbraw/zinc/34/11/50/1069341150.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341165 /nfs/dbraw/zinc/34/11/65/1069341165.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357383 1069341178 /nfs/dbraw/zinc/34/11/78/1069341178.db2.gz HHBJBCYMGXGGTH-ZEQKJWHPSA-N 2 1 455.691 3.620 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370240 /nfs/dbraw/zinc/37/02/40/1069370240.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370245 /nfs/dbraw/zinc/37/02/45/1069370245.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370249 /nfs/dbraw/zinc/37/02/49/1069370249.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370250 /nfs/dbraw/zinc/37/02/50/1069370250.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370254 /nfs/dbraw/zinc/37/02/54/1069370254.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370258 /nfs/dbraw/zinc/37/02/58/1069370258.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422350 1069370237 /nfs/dbraw/zinc/37/02/37/1069370237.db2.gz HQHSMDABYGCPRS-RMTZWNOUSA-N 2 1 455.691 3.661 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1cccc(OC)c1 ZINC001311471065 1069394306 /nfs/dbraw/zinc/39/43/06/1069394306.db2.gz UWQLBMAFUDNTQK-AFESJLNVSA-N 2 1 450.627 3.994 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677939 1069402578 /nfs/dbraw/zinc/40/25/78/1069402578.db2.gz FXPGXFDRYAUGDV-GMAHTHKFSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306677939 1069402587 /nfs/dbraw/zinc/40/25/87/1069402587.db2.gz FXPGXFDRYAUGDV-GMAHTHKFSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306677939 1069402590 /nfs/dbraw/zinc/40/25/90/1069402590.db2.gz FXPGXFDRYAUGDV-GMAHTHKFSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306679250 1069404334 /nfs/dbraw/zinc/40/43/34/1069404334.db2.gz PQWFFYHBVRAWIN-VWLOTQADSA-N 2 1 473.735 3.669 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001306679340 1069404953 /nfs/dbraw/zinc/40/49/53/1069404953.db2.gz HVVPQEXBFCTBDR-FQEVSTJZSA-N 2 1 490.096 3.663 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001306679340 1069404961 /nfs/dbraw/zinc/40/49/61/1069404961.db2.gz HVVPQEXBFCTBDR-FQEVSTJZSA-N 2 1 490.096 3.663 20 0 JHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001311495379 1069405594 /nfs/dbraw/zinc/40/55/94/1069405594.db2.gz TUSNZFQUEBJFSX-HSZRJFAPSA-N 2 1 455.691 3.620 20 0 JHADMP CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001306686323 1069422617 /nfs/dbraw/zinc/42/26/17/1069422617.db2.gz BGVSSJYEIJTKHY-UHFFFAOYSA-N 2 1 459.708 3.820 20 0 JHADMP CCCC[NH+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001306686323 1069422626 /nfs/dbraw/zinc/42/26/26/1069422626.db2.gz BGVSSJYEIJTKHY-UHFFFAOYSA-N 2 1 459.708 3.820 20 0 JHADMP CCCC[NH+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001306686323 1069422636 /nfs/dbraw/zinc/42/26/36/1069422636.db2.gz BGVSSJYEIJTKHY-UHFFFAOYSA-N 2 1 459.708 3.820 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306686273 1069422428 /nfs/dbraw/zinc/42/24/28/1069422428.db2.gz CQKTWBIDZBEGQR-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001306686273 1069422434 /nfs/dbraw/zinc/42/24/34/1069422434.db2.gz CQKTWBIDZBEGQR-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001306686273 1069422439 /nfs/dbraw/zinc/42/24/39/1069422439.db2.gz CQKTWBIDZBEGQR-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[N@@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001306689702 1069426984 /nfs/dbraw/zinc/42/69/84/1069426984.db2.gz YPBQZCMMYVCSRQ-HXUWFJFHSA-N 2 1 460.617 3.944 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001306783529 1069582275 /nfs/dbraw/zinc/58/22/75/1069582275.db2.gz JNHZRPYYVGJQRX-RTWAWAEBSA-N 2 1 475.081 3.735 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786682 1069589940 /nfs/dbraw/zinc/58/99/40/1069589940.db2.gz YOFDMVWZAHFZBL-GBXCKJPGSA-N 2 1 465.621 3.950 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786895 1069590617 /nfs/dbraw/zinc/59/06/17/1069590617.db2.gz YWJMRSCORMKRFN-OAQYLSRUSA-N 2 1 486.730 3.949 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001306787393 1069591166 /nfs/dbraw/zinc/59/11/66/1069591166.db2.gz CJKJABPWDHERRY-AKFKNWHVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306787393 1069591176 /nfs/dbraw/zinc/59/11/76/1069591176.db2.gz CJKJABPWDHERRY-AKFKNWHVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306787393 1069591183 /nfs/dbraw/zinc/59/11/83/1069591183.db2.gz CJKJABPWDHERRY-AKFKNWHVSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001306789349 1069594783 /nfs/dbraw/zinc/59/47/83/1069594783.db2.gz VZQURQJCXWXZOR-DPPGTGKWSA-N 2 1 467.706 3.943 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001306806421 1069618782 /nfs/dbraw/zinc/61/87/82/1069618782.db2.gz VDXZACJUZPNRFJ-UHFFFAOYSA-N 2 1 451.594 3.533 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001306806421 1069618785 /nfs/dbraw/zinc/61/87/85/1069618785.db2.gz VDXZACJUZPNRFJ-UHFFFAOYSA-N 2 1 451.594 3.533 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169069 1069675607 /nfs/dbraw/zinc/67/56/07/1069675607.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@H]2CC[NH+](CC)C2)cc1OC ZINC001314169069 1069675611 /nfs/dbraw/zinc/67/56/11/1069675611.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@@H]2CC[NH+](CC)C2)cc1OC ZINC001314169069 1069675613 /nfs/dbraw/zinc/67/56/13/1069675613.db2.gz TWJPGTSAJBQZOW-PCCBWWKXSA-N 2 1 470.662 3.613 20 0 JHADMP FC(F)(F)c1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sc1Br ZINC001306945492 1069687577 /nfs/dbraw/zinc/68/75/77/1069687577.db2.gz CAPBNDROIGTMBC-UHFFFAOYSA-N 2 1 450.328 3.944 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001312065586 1069701315 /nfs/dbraw/zinc/70/13/15/1069701315.db2.gz SVOHXMNNXZEVEH-DPLHUUCSSA-N 2 1 455.672 3.641 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001312065586 1069701321 /nfs/dbraw/zinc/70/13/21/1069701321.db2.gz SVOHXMNNXZEVEH-DPLHUUCSSA-N 2 1 455.672 3.641 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001312165012 1069760588 /nfs/dbraw/zinc/76/05/88/1069760588.db2.gz OCFRGVPBRSXSBS-UUSJWDGRSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001312165012 1069760607 /nfs/dbraw/zinc/76/06/07/1069760607.db2.gz OCFRGVPBRSXSBS-UUSJWDGRSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001312165012 1069760621 /nfs/dbraw/zinc/76/06/21/1069760621.db2.gz OCFRGVPBRSXSBS-UUSJWDGRSA-N 2 1 464.654 3.876 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001307039457 1069764206 /nfs/dbraw/zinc/76/42/06/1069764206.db2.gz AOXVCAUPRAFRAN-NRFANRHFSA-N 2 1 454.663 3.576 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044569 1069778101 /nfs/dbraw/zinc/77/81/01/1069778101.db2.gz RCVFUGTYJGULGI-HJOGWXRNSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001307044489 1069778380 /nfs/dbraw/zinc/77/83/80/1069778380.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001307044489 1069778386 /nfs/dbraw/zinc/77/83/86/1069778386.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001307044489 1069778393 /nfs/dbraw/zinc/77/83/93/1069778393.db2.gz GLHYKQIDTOHHMF-HBMCJLEFSA-N 2 1 458.626 3.647 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312216105 1069787409 /nfs/dbraw/zinc/78/74/09/1069787409.db2.gz CXVXVHPGIBEGQC-LOSJGSFVSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312216105 1069787422 /nfs/dbraw/zinc/78/74/22/1069787422.db2.gz CXVXVHPGIBEGQC-LOSJGSFVSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312216106 1069787694 /nfs/dbraw/zinc/78/76/94/1069787694.db2.gz CXVXVHPGIBEGQC-RPBOFIJWSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312216106 1069787701 /nfs/dbraw/zinc/78/77/01/1069787701.db2.gz CXVXVHPGIBEGQC-RPBOFIJWSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312219408 1069790598 /nfs/dbraw/zinc/79/05/98/1069790598.db2.gz VXDCADGSGGZSHE-DQEYMECFSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312219408 1069790604 /nfs/dbraw/zinc/79/06/04/1069790604.db2.gz VXDCADGSGGZSHE-DQEYMECFSA-N 2 1 456.606 3.579 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001307051064 1069803174 /nfs/dbraw/zinc/80/31/74/1069803174.db2.gz VYZIKWFGMQBNAQ-LJQANCHMSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001307051759 1069805732 /nfs/dbraw/zinc/80/57/32/1069805732.db2.gz MCWBLZIRFRNCFH-UHFFFAOYSA-N 2 1 456.683 3.644 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001307052134 1069807792 /nfs/dbraw/zinc/80/77/92/1069807792.db2.gz ZNHBUNPSEJXJQM-RUZDIDTESA-N 2 1 495.716 3.782 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001307055557 1069822119 /nfs/dbraw/zinc/82/21/19/1069822119.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001307055557 1069822140 /nfs/dbraw/zinc/82/21/40/1069822140.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001307055557 1069822169 /nfs/dbraw/zinc/82/21/69/1069822169.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001307055557 1069822187 /nfs/dbraw/zinc/82/21/87/1069822187.db2.gz QCXANSRAOWTJDC-HSZRJFAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069834968 /nfs/dbraw/zinc/83/49/68/1069834968.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069834995 /nfs/dbraw/zinc/83/49/95/1069834995.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069835020 /nfs/dbraw/zinc/83/50/20/1069835020.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057398 1069835049 /nfs/dbraw/zinc/83/50/49/1069835049.db2.gz FGXBDZQJKALXPN-FUPPJEDESA-N 2 1 474.719 3.740 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307058173 1069835694 /nfs/dbraw/zinc/83/56/94/1069835694.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001307058173 1069835715 /nfs/dbraw/zinc/83/57/15/1069835715.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001307058173 1069835737 /nfs/dbraw/zinc/83/57/37/1069835737.db2.gz YIGOFYLFJJSDOO-RBBKRZOGSA-N 2 1 470.662 3.757 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358578 1069885482 /nfs/dbraw/zinc/88/54/82/1069885482.db2.gz YBDNAUPDCRMGDF-DSNGMDLFSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001312358578 1069885502 /nfs/dbraw/zinc/88/55/02/1069885502.db2.gz YBDNAUPDCRMGDF-DSNGMDLFSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358579 1069885189 /nfs/dbraw/zinc/88/51/89/1069885189.db2.gz YBDNAUPDCRMGDF-ISJGIBHGSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001312358579 1069885206 /nfs/dbraw/zinc/88/52/06/1069885206.db2.gz YBDNAUPDCRMGDF-ISJGIBHGSA-N 2 1 456.675 3.820 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC001312500281 1069975724 /nfs/dbraw/zinc/97/57/24/1069975724.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001312500281 1069975732 /nfs/dbraw/zinc/97/57/32/1069975732.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001312500281 1069975744 /nfs/dbraw/zinc/97/57/44/1069975744.db2.gz OTBVIVXBZYJCAB-AOYPEHQESA-N 2 1 458.691 3.862 20 0 JHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001307444180 1069987024 /nfs/dbraw/zinc/98/70/24/1069987024.db2.gz PEHVIRCYADONQP-UHFFFAOYSA-N 2 1 453.602 3.823 20 0 JHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC001307444180 1069987034 /nfs/dbraw/zinc/98/70/34/1069987034.db2.gz PEHVIRCYADONQP-UHFFFAOYSA-N 2 1 453.602 3.823 20 0 JHADMP COCC[C@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684036 1070081536 /nfs/dbraw/zinc/08/15/36/1070081536.db2.gz YAQNGENTCYIWEW-RXVVDRJESA-N 2 1 457.446 3.881 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323434 1070108490 /nfs/dbraw/zinc/10/84/90/1070108490.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323434 1070108502 /nfs/dbraw/zinc/10/85/02/1070108502.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323434 1070108515 /nfs/dbraw/zinc/10/85/15/1070108515.db2.gz RUPZJVZINVPBLI-SFTDATJTSA-N 2 1 454.663 3.570 20 0 JHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165852 /nfs/dbraw/zinc/16/58/52/1070165852.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 2 1 458.647 3.688 20 0 JHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165856 /nfs/dbraw/zinc/16/58/56/1070165856.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 2 1 458.647 3.688 20 0 JHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)s1 ZINC001307750280 1070165863 /nfs/dbraw/zinc/16/58/63/1070165863.db2.gz HTVSDFWFVFHBTJ-NRFANRHFSA-N 2 1 458.647 3.688 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001314395697 1070254178 /nfs/dbraw/zinc/25/41/78/1070254178.db2.gz FHAWTMNAZDPMPE-QHCPKHFHSA-N 2 1 454.663 3.710 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313446657 1070363863 /nfs/dbraw/zinc/36/38/63/1070363863.db2.gz DPYZUBMCCMGYTM-ACRUOGEOSA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313446657 1070363880 /nfs/dbraw/zinc/36/38/80/1070363880.db2.gz DPYZUBMCCMGYTM-ACRUOGEOSA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313446657 1070363897 /nfs/dbraw/zinc/36/38/97/1070363897.db2.gz DPYZUBMCCMGYTM-ACRUOGEOSA-N 2 1 458.626 3.962 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313451445 1070379522 /nfs/dbraw/zinc/37/95/22/1070379522.db2.gz WRWOBZFMGIJHMW-FQEVSTJZSA-N 2 1 460.617 3.800 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001313451978 1070381390 /nfs/dbraw/zinc/38/13/90/1070381390.db2.gz FQZQMBUKOWIMGC-DEOSSOPVSA-N 2 1 470.710 3.571 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001313451978 1070381405 /nfs/dbraw/zinc/38/14/05/1070381405.db2.gz FQZQMBUKOWIMGC-DEOSSOPVSA-N 2 1 470.710 3.571 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001313451978 1070381420 /nfs/dbraw/zinc/38/14/20/1070381420.db2.gz FQZQMBUKOWIMGC-DEOSSOPVSA-N 2 1 470.710 3.571 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313453946 1070387197 /nfs/dbraw/zinc/38/71/97/1070387197.db2.gz YEWIEDDEANHVAA-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313453946 1070387213 /nfs/dbraw/zinc/38/72/13/1070387213.db2.gz YEWIEDDEANHVAA-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313453946 1070387230 /nfs/dbraw/zinc/38/72/30/1070387230.db2.gz YEWIEDDEANHVAA-GOTSBHOMSA-N 2 1 454.663 3.879 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313453947 1070387560 /nfs/dbraw/zinc/38/75/60/1070387560.db2.gz YEWIEDDEANHVAA-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313453947 1070387579 /nfs/dbraw/zinc/38/75/79/1070387579.db2.gz YEWIEDDEANHVAA-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313453947 1070387599 /nfs/dbraw/zinc/38/75/99/1070387599.db2.gz YEWIEDDEANHVAA-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492930 1070406103 /nfs/dbraw/zinc/40/61/03/1070406103.db2.gz BZORYYLUWOAXPO-WIOPSUGQSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492930 1070406106 /nfs/dbraw/zinc/40/61/06/1070406106.db2.gz BZORYYLUWOAXPO-WIOPSUGQSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492930 1070406108 /nfs/dbraw/zinc/40/61/08/1070406108.db2.gz BZORYYLUWOAXPO-WIOPSUGQSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314496779 1070418946 /nfs/dbraw/zinc/41/89/46/1070418946.db2.gz UNOKCGBHCAVROY-SZPZYZBQSA-N 2 1 483.705 3.564 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001314496779 1070418950 /nfs/dbraw/zinc/41/89/50/1070418950.db2.gz UNOKCGBHCAVROY-SZPZYZBQSA-N 2 1 483.705 3.564 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001314497049 1070419575 /nfs/dbraw/zinc/41/95/75/1070419575.db2.gz WSBMQSSAKRWLCN-FQEVSTJZSA-N 2 1 461.054 3.631 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500031 1070428992 /nfs/dbraw/zinc/42/89/92/1070428992.db2.gz RROVITPYTASUEX-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500031 1070428997 /nfs/dbraw/zinc/42/89/97/1070428997.db2.gz RROVITPYTASUEX-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314500031 1070429003 /nfs/dbraw/zinc/42/90/03/1070429003.db2.gz RROVITPYTASUEX-GGAORHGYSA-N 2 1 460.711 3.993 20 0 JHADMP CN(C)CC[NH+]1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001314671325 1070814042 /nfs/dbraw/zinc/81/40/42/1070814042.db2.gz UMGGTGYYHQQASN-UHFFFAOYSA-N 2 1 487.762 3.515 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001314671325 1070814073 /nfs/dbraw/zinc/81/40/73/1070814073.db2.gz UMGGTGYYHQQASN-UHFFFAOYSA-N 2 1 487.762 3.515 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001314671325 1070814105 /nfs/dbraw/zinc/81/41/05/1070814105.db2.gz UMGGTGYYHQQASN-UHFFFAOYSA-N 2 1 487.762 3.515 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313656808 1070853026 /nfs/dbraw/zinc/85/30/26/1070853026.db2.gz LVEXHXJMDVULBN-FCHUYYIVSA-N 2 1 479.673 3.689 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001313665776 1070880717 /nfs/dbraw/zinc/88/07/17/1070880717.db2.gz UJMGCEVEQCZJMO-UPVQGACJSA-N 2 1 454.663 3.643 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001313665844 1070881998 /nfs/dbraw/zinc/88/19/98/1070881998.db2.gz SDSCTXIEVCFBOA-ZJSXRUAMSA-N 2 1 470.662 3.581 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(N2CC[C@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672759 1070905049 /nfs/dbraw/zinc/90/50/49/1070905049.db2.gz AWBFCDOHHUKANF-CPJSRVTESA-N 2 1 458.651 3.553 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC001313702019 1070982083 /nfs/dbraw/zinc/98/20/83/1070982083.db2.gz FRIXQLJUYUDISL-URXFXBBRSA-N 2 1 454.663 3.940 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001313705807 1070994485 /nfs/dbraw/zinc/99/44/85/1070994485.db2.gz VFSLXJQUJUZQKT-URXFXBBRSA-N 2 1 468.690 3.623 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC001309928964 1071020090 /nfs/dbraw/zinc/02/00/90/1071020090.db2.gz LJIGWRVADCTVIX-KKUQBAQOSA-N 2 1 457.684 3.859 20 0 JHADMP CCN(CC)C(=O)c1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1Cl ZINC001310028902 1071071921 /nfs/dbraw/zinc/07/19/21/1071071921.db2.gz ZFRXEHUGNWWQLQ-LJQANCHMSA-N 2 1 452.043 3.702 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313802298 1071207972 /nfs/dbraw/zinc/20/79/72/1071207972.db2.gz DISCVMVAURCJQA-OAQYLSRUSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313802298 1071207988 /nfs/dbraw/zinc/20/79/88/1071207988.db2.gz DISCVMVAURCJQA-OAQYLSRUSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313802298 1071208001 /nfs/dbraw/zinc/20/80/01/1071208001.db2.gz DISCVMVAURCJQA-OAQYLSRUSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001310224637 1071219387 /nfs/dbraw/zinc/21/93/87/1071219387.db2.gz OVUJMAYXSMUBSF-DEOSSOPVSA-N 2 1 455.647 3.631 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001310224637 1071219394 /nfs/dbraw/zinc/21/93/94/1071219394.db2.gz OVUJMAYXSMUBSF-DEOSSOPVSA-N 2 1 455.647 3.631 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001313805842 1071221363 /nfs/dbraw/zinc/22/13/63/1071221363.db2.gz UFUMQGVBTRNJIN-SFHVURJKSA-N 2 1 463.468 3.968 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC001313805842 1071221372 /nfs/dbraw/zinc/22/13/72/1071221372.db2.gz UFUMQGVBTRNJIN-SFHVURJKSA-N 2 1 463.468 3.968 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C(C)C ZINC001313805842 1071221381 /nfs/dbraw/zinc/22/13/81/1071221381.db2.gz UFUMQGVBTRNJIN-SFHVURJKSA-N 2 1 463.468 3.968 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)CCC(F)(F)F ZINC001313810157 1071240102 /nfs/dbraw/zinc/24/01/02/1071240102.db2.gz LNRBBCAVRKNXBV-LJQANCHMSA-N 2 1 467.584 3.623 20 0 JHADMP CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814174 1071256828 /nfs/dbraw/zinc/25/68/28/1071256828.db2.gz ISXNCQQOIYEXOW-FQEVSTJZSA-N 2 1 486.627 3.901 20 0 JHADMP CC[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814174 1071256837 /nfs/dbraw/zinc/25/68/37/1071256837.db2.gz ISXNCQQOIYEXOW-FQEVSTJZSA-N 2 1 486.627 3.901 20 0 JHADMP CC[NH+](CCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814174 1071256847 /nfs/dbraw/zinc/25/68/47/1071256847.db2.gz ISXNCQQOIYEXOW-FQEVSTJZSA-N 2 1 486.627 3.901 20 0 JHADMP CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814175 1071256945 /nfs/dbraw/zinc/25/69/45/1071256945.db2.gz ISXNCQQOIYEXOW-HXUWFJFHSA-N 2 1 486.627 3.901 20 0 JHADMP CC[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814175 1071256953 /nfs/dbraw/zinc/25/69/53/1071256953.db2.gz ISXNCQQOIYEXOW-HXUWFJFHSA-N 2 1 486.627 3.901 20 0 JHADMP CC[NH+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](C2CCCC2)CC1)CCC(F)(F)F ZINC001313814175 1071256959 /nfs/dbraw/zinc/25/69/59/1071256959.db2.gz ISXNCQQOIYEXOW-HXUWFJFHSA-N 2 1 486.627 3.901 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1)C(C)C ZINC001313820150 1071276319 /nfs/dbraw/zinc/27/63/19/1071276319.db2.gz KKDXJFFOHRGNAJ-UHFFFAOYSA-N 2 1 461.054 3.915 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313820220 1071277167 /nfs/dbraw/zinc/27/71/67/1071277167.db2.gz MMRQXUKCBFCDAR-UHFFFAOYSA-N 2 1 461.054 3.915 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314872464 1071287141 /nfs/dbraw/zinc/28/71/41/1071287141.db2.gz KEMSADQKHVMKQA-UHFFFAOYSA-N 2 1 460.711 3.822 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314872464 1071287144 /nfs/dbraw/zinc/28/71/44/1071287144.db2.gz KEMSADQKHVMKQA-UHFFFAOYSA-N 2 1 460.711 3.822 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001314872798 1071288945 /nfs/dbraw/zinc/28/89/45/1071288945.db2.gz OKMDBZKNZDDDAA-QFIPXVFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001314872798 1071288958 /nfs/dbraw/zinc/28/89/58/1071288958.db2.gz OKMDBZKNZDDDAA-QFIPXVFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314872798 1071288968 /nfs/dbraw/zinc/28/89/68/1071288968.db2.gz OKMDBZKNZDDDAA-QFIPXVFZSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314872798 1071288977 /nfs/dbraw/zinc/28/89/77/1071288977.db2.gz OKMDBZKNZDDDAA-QFIPXVFZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859282 1071362894 /nfs/dbraw/zinc/36/28/94/1071362894.db2.gz FJVUWKLXVHMUBQ-AABGKKOBSA-N 2 1 458.626 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313859285 1071363729 /nfs/dbraw/zinc/36/37/29/1071363729.db2.gz FJVUWKLXVHMUBQ-UFYCRDLUSA-N 2 1 458.626 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368779 /nfs/dbraw/zinc/36/87/79/1071368779.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368792 /nfs/dbraw/zinc/36/87/92/1071368792.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313860250 1071368810 /nfs/dbraw/zinc/36/88/10/1071368810.db2.gz NBFLVXHJUXSLQB-YADHBBJMSA-N 2 1 481.689 3.941 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864531 1071387388 /nfs/dbraw/zinc/38/73/88/1071387388.db2.gz YQXYDKNKIBIFDC-JYRKZWEQSA-N 2 1 458.651 3.653 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864531 1071387397 /nfs/dbraw/zinc/38/73/97/1071387397.db2.gz YQXYDKNKIBIFDC-JYRKZWEQSA-N 2 1 458.651 3.653 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864531 1071387407 /nfs/dbraw/zinc/38/74/07/1071387407.db2.gz YQXYDKNKIBIFDC-JYRKZWEQSA-N 2 1 458.651 3.653 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313865365 1071392049 /nfs/dbraw/zinc/39/20/49/1071392049.db2.gz ANMCFSZUMHVXBL-SBFWRKJZSA-N 2 1 482.717 3.870 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868283 1071403236 /nfs/dbraw/zinc/40/32/36/1071403236.db2.gz NJBSCPSEGAZTHK-ACRUOGEOSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313871444 1071416872 /nfs/dbraw/zinc/41/68/72/1071416872.db2.gz ZIDXGSRFRRVIAE-FGZHOGPDSA-N 2 1 470.731 3.810 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313870439 1071413315 /nfs/dbraw/zinc/41/33/15/1071413315.db2.gz RRYGOFPZWYZJBQ-VQTJNVASSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1C ZINC001313872198 1071419941 /nfs/dbraw/zinc/41/99/41/1071419941.db2.gz VIMFOUDEZFPDJW-GOTSBHOMSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874336 1071427886 /nfs/dbraw/zinc/42/78/86/1071427886.db2.gz NNQDTGTYTKOACI-XZOQPEGZSA-N 2 1 453.679 3.839 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878928 1071446880 /nfs/dbraw/zinc/44/68/80/1071446880.db2.gz WITVUJXYGZWPCK-BJKOFHAPSA-N 2 1 498.716 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313878932 1071446970 /nfs/dbraw/zinc/44/69/70/1071446970.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313878932 1071446974 /nfs/dbraw/zinc/44/69/74/1071446974.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313878932 1071446976 /nfs/dbraw/zinc/44/69/76/1071446976.db2.gz WJRKWEWSSMWYHV-BHIFYINESA-N 2 1 470.662 3.659 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313879201 1071448580 /nfs/dbraw/zinc/44/85/80/1071448580.db2.gz ZCKCVVFXYMNEKD-VJBWXMMDSA-N 2 1 484.689 3.905 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886351 1071470849 /nfs/dbraw/zinc/47/08/49/1071470849.db2.gz SDDBZHKJBWINMZ-VXKWHMMOSA-N 2 1 470.662 3.517 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313896895 1071501326 /nfs/dbraw/zinc/50/13/26/1071501326.db2.gz SMVMLXUWLAUSQU-LJQANCHMSA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313896895 1071501331 /nfs/dbraw/zinc/50/13/31/1071501331.db2.gz SMVMLXUWLAUSQU-LJQANCHMSA-N 2 1 479.044 3.769 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313896895 1071501338 /nfs/dbraw/zinc/50/13/38/1071501338.db2.gz SMVMLXUWLAUSQU-LJQANCHMSA-N 2 1 479.044 3.769 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313896895 1071501349 /nfs/dbraw/zinc/50/13/49/1071501349.db2.gz SMVMLXUWLAUSQU-LJQANCHMSA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313913626 1071543702 /nfs/dbraw/zinc/54/37/02/1071543702.db2.gz KWECLFQSBCPNAA-YTFSRNRJSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313913626 1071543714 /nfs/dbraw/zinc/54/37/14/1071543714.db2.gz KWECLFQSBCPNAA-YTFSRNRJSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313913626 1071543726 /nfs/dbraw/zinc/54/37/26/1071543726.db2.gz KWECLFQSBCPNAA-YTFSRNRJSA-N 2 1 460.711 3.992 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001313932607 1071595665 /nfs/dbraw/zinc/59/56/65/1071595665.db2.gz IMTDDOGDFPRTLC-PGRDOPGGSA-N 2 1 454.644 3.849 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313941292 1071616220 /nfs/dbraw/zinc/61/62/20/1071616220.db2.gz BAASIBOIMQYKHR-QHCPKHFHSA-N 2 1 454.663 3.736 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001313942772 1071621361 /nfs/dbraw/zinc/62/13/61/1071621361.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001313942772 1071621363 /nfs/dbraw/zinc/62/13/63/1071621363.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 2 1 498.716 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001313942772 1071621366 /nfs/dbraw/zinc/62/13/66/1071621366.db2.gz NOPWSVQCNFAUFM-ISKFKSNPSA-N 2 1 498.716 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629911 /nfs/dbraw/zinc/62/99/11/1071629911.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629917 /nfs/dbraw/zinc/62/99/17/1071629917.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 2 1 484.689 3.764 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313946807 1071629919 /nfs/dbraw/zinc/62/99/19/1071629919.db2.gz CDOZXEJCPAJYPE-GOTSBHOMSA-N 2 1 484.689 3.764 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634503 /nfs/dbraw/zinc/63/45/03/1071634503.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634505 /nfs/dbraw/zinc/63/45/05/1071634505.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001313948933 1071634507 /nfs/dbraw/zinc/63/45/07/1071634507.db2.gz MHIQFLWFTIFIJA-UXHICEINSA-N 2 1 458.676 3.594 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641630 /nfs/dbraw/zinc/64/16/30/1071641630.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641633 /nfs/dbraw/zinc/64/16/33/1071641633.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951302 1071641634 /nfs/dbraw/zinc/64/16/34/1071641634.db2.gz FJCJXNKNSKDOMR-RSXGOPAZSA-N 2 1 495.760 3.808 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001305943816 1068256467 /nfs/dbraw/zinc/25/64/67/1068256467.db2.gz DXIZQRNRCLTRIL-OAQYLSRUSA-N 2 1 468.690 3.785 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305945871 1068259579 /nfs/dbraw/zinc/25/95/79/1068259579.db2.gz WNCCVNHXJMODKV-YADHBBJMSA-N 2 1 468.690 3.927 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001305985364 1068334710 /nfs/dbraw/zinc/33/47/10/1068334710.db2.gz NKKGZKDKCJHZLL-JOCHJYFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCC[C@H]1C ZINC001305985364 1068334726 /nfs/dbraw/zinc/33/47/26/1068334726.db2.gz NKKGZKDKCJHZLL-JOCHJYFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCC[C@H]1C ZINC001305985364 1068334737 /nfs/dbraw/zinc/33/47/37/1068334737.db2.gz NKKGZKDKCJHZLL-JOCHJYFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001306193095 1068583814 /nfs/dbraw/zinc/58/38/14/1068583814.db2.gz AZBCDQBZZBCYEO-HXUWFJFHSA-N 2 1 468.671 3.774 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306194845 1068585997 /nfs/dbraw/zinc/58/59/97/1068585997.db2.gz JADIGDCLZZUIFH-FCHUYYIVSA-N 2 1 454.663 3.853 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](CC)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402231 1068863461 /nfs/dbraw/zinc/86/34/61/1068863461.db2.gz NMRTXWUUJXUBFL-OFNKIYASSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402231 1068863472 /nfs/dbraw/zinc/86/34/72/1068863472.db2.gz NMRTXWUUJXUBFL-OFNKIYASSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306402490 1068864281 /nfs/dbraw/zinc/86/42/81/1068864281.db2.gz BAGSXNCGRXDYHZ-PKTZIBPZSA-N 2 1 484.620 3.836 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306423976 1068917947 /nfs/dbraw/zinc/91/79/47/1068917947.db2.gz NAVVZQLXWDQCPP-AOHZBQACSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306423976 1068917955 /nfs/dbraw/zinc/91/79/55/1068917955.db2.gz NAVVZQLXWDQCPP-AOHZBQACSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306423976 1068917964 /nfs/dbraw/zinc/91/79/64/1068917964.db2.gz NAVVZQLXWDQCPP-AOHZBQACSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306427383 1068922875 /nfs/dbraw/zinc/92/28/75/1068922875.db2.gz PNFVKALOOGRTAS-DSNGMDLFSA-N 2 1 484.689 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001306434865 1068938571 /nfs/dbraw/zinc/93/85/71/1068938571.db2.gz AWHNKXXJBFLUQS-KIFXHHALSA-N 2 1 489.108 3.800 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001306437211 1068941306 /nfs/dbraw/zinc/94/13/06/1068941306.db2.gz DRNWVNKQFZKDHP-RPWUZVMVSA-N 2 1 460.711 3.536 20 0 JHADMP Cc1c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1-c1ccc(F)cc1 ZINC001310965785 1069235554 /nfs/dbraw/zinc/23/55/54/1069235554.db2.gz UMGOQJVEIIADPJ-UHFFFAOYSA-N 2 1 456.610 3.980 20 0 JHADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164690105 719739154 /nfs/dbraw/zinc/73/91/54/719739154.db2.gz SSPQXZXYRMLQCA-UHFFFAOYSA-N 2 1 496.725 3.737 20 0 JHADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164690105 719739167 /nfs/dbraw/zinc/73/91/67/719739167.db2.gz SSPQXZXYRMLQCA-UHFFFAOYSA-N 2 1 496.725 3.737 20 0 JHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164718539 720113794 /nfs/dbraw/zinc/11/37/94/720113794.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164718539 720113800 /nfs/dbraw/zinc/11/38/00/720113800.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164718539 720113809 /nfs/dbraw/zinc/11/38/09/720113809.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164718539 720113821 /nfs/dbraw/zinc/11/38/21/720113821.db2.gz RWQZUUGAPAVWPF-SANMLTNESA-N 2 1 498.675 3.937 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831169 720351019 /nfs/dbraw/zinc/35/10/19/720351019.db2.gz XXPIADCGGMLPBC-UBFVSLLYSA-N 2 1 453.675 3.930 20 0 JHADMP COCC[N@@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164862177 720875684 /nfs/dbraw/zinc/87/56/84/720875684.db2.gz RATHQOHYXSLMAW-UNMCSNQZSA-N 2 1 499.725 3.730 20 0 JHADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164862177 720875688 /nfs/dbraw/zinc/87/56/88/720875688.db2.gz RATHQOHYXSLMAW-UNMCSNQZSA-N 2 1 499.725 3.730 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165049152 721973965 /nfs/dbraw/zinc/97/39/65/721973965.db2.gz NUOCEBSNYCLZIP-YADHBBJMSA-N 2 1 471.690 3.725 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001165049152 721973968 /nfs/dbraw/zinc/97/39/68/721973968.db2.gz NUOCEBSNYCLZIP-YADHBBJMSA-N 2 1 471.690 3.725 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164964817 722056628 /nfs/dbraw/zinc/05/66/28/722056628.db2.gz XZHPGCUOHGDTSI-UHFFFAOYSA-N 2 1 468.605 3.994 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164964817 722056630 /nfs/dbraw/zinc/05/66/30/722056630.db2.gz XZHPGCUOHGDTSI-UHFFFAOYSA-N 2 1 468.605 3.994 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973127 722158328 /nfs/dbraw/zinc/15/83/28/722158328.db2.gz LHIPJFNMJZWIRM-OFNKIYASSA-N 2 1 489.998 3.779 20 0 JHADMP COc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350616 1069337342 /nfs/dbraw/zinc/33/73/42/1069337342.db2.gz WKDKCAUAIICQNN-ATIYNZHBSA-N 2 1 454.615 3.518 20 0 JHADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342540 /nfs/dbraw/zinc/34/25/40/1069342540.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 2 1 455.691 3.622 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342549 /nfs/dbraw/zinc/34/25/49/1069342549.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 2 1 455.691 3.622 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc2)CC1 ZINC001311358859 1069342560 /nfs/dbraw/zinc/34/25/60/1069342560.db2.gz UNZCPMKMCCWJBT-UHFFFAOYSA-N 2 1 455.691 3.622 20 0 JHADMP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306654678 1069366538 /nfs/dbraw/zinc/36/65/38/1069366538.db2.gz QZSYSNWBMLCQDB-DNQXCXABSA-N 2 1 467.706 3.752 20 0 JHADMP CCCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001306676298 1069401025 /nfs/dbraw/zinc/40/10/25/1069401025.db2.gz GXHICPZVNVNPBG-RUZDIDTESA-N 2 1 481.733 4.000 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001306678149 1069402687 /nfs/dbraw/zinc/40/26/87/1069402687.db2.gz IKHRIYGBOYNLFO-UHFFFAOYSA-N 2 1 456.683 3.503 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001306680578 1069407829 /nfs/dbraw/zinc/40/78/29/1069407829.db2.gz QIPQJEYJHOYSKN-XMMPIXPASA-N 2 1 481.689 3.944 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306683503 1069417340 /nfs/dbraw/zinc/41/73/40/1069417340.db2.gz VWDCQFIJVFIUGP-QFIPXVFZSA-N 2 1 488.124 3.935 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306685153 1069420709 /nfs/dbraw/zinc/42/07/09/1069420709.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 2 1 451.619 3.862 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306685153 1069420715 /nfs/dbraw/zinc/42/07/15/1069420715.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 2 1 451.619 3.862 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306685153 1069420723 /nfs/dbraw/zinc/42/07/23/1069420723.db2.gz WLQCZYJEQQOPKF-FQEVSTJZSA-N 2 1 451.619 3.862 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001306722388 1069460347 /nfs/dbraw/zinc/46/03/47/1069460347.db2.gz KETJUBVDNMYOEH-XMMPIXPASA-N 2 1 487.737 3.773 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786292 1069588548 /nfs/dbraw/zinc/58/85/48/1069588548.db2.gz UNTGMTXPHWAZJA-NRFANRHFSA-N 2 1 486.730 3.949 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786894 1069590440 /nfs/dbraw/zinc/59/04/40/1069590440.db2.gz YWJMRSCORMKRFN-NRFANRHFSA-N 2 1 486.730 3.949 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001306787395 1069591028 /nfs/dbraw/zinc/59/10/28/1069591028.db2.gz CJKJABPWDHERRY-GPXNEJASSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306787395 1069591035 /nfs/dbraw/zinc/59/10/35/1069591035.db2.gz CJKJABPWDHERRY-GPXNEJASSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001306787395 1069591044 /nfs/dbraw/zinc/59/10/44/1069591044.db2.gz CJKJABPWDHERRY-GPXNEJASSA-N 2 1 453.679 3.552 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001306789411 1069595290 /nfs/dbraw/zinc/59/52/90/1069595290.db2.gz PDNDKULILXLPPA-HSZRJFAPSA-N 2 1 470.710 3.572 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306802007 1069607556 /nfs/dbraw/zinc/60/75/56/1069607556.db2.gz DXPLKFMCBJKDOU-UHFFFAOYSA-N 2 1 463.468 3.970 20 0 JHADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC001311966218 1069641216 /nfs/dbraw/zinc/64/12/16/1069641216.db2.gz YNHSJBZJRKHPHR-ILBGXUMGSA-N 2 1 456.675 3.920 20 0 JHADMP CC(C)[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001312176977 1069766773 /nfs/dbraw/zinc/76/67/73/1069766773.db2.gz DVCSKAXPTCWJGU-VWLOTQADSA-N 2 1 456.675 3.821 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001307046195 1069784720 /nfs/dbraw/zinc/78/47/20/1069784720.db2.gz PFLWSAOIMAZIDJ-HXUWFJFHSA-N 2 1 461.054 3.773 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001307050364 1069800223 /nfs/dbraw/zinc/80/02/23/1069800223.db2.gz RCMJLBGGXNETTJ-BWKNWUBXSA-N 2 1 468.690 3.717 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307056281 1069826484 /nfs/dbraw/zinc/82/64/84/1069826484.db2.gz SBUUBIKNHRFFKW-FUPPJEDESA-N 2 1 476.710 3.718 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063308 1069862426 /nfs/dbraw/zinc/86/24/26/1069862426.db2.gz PRNPEZHYZIAQLA-ZRBLBEILSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063308 1069862447 /nfs/dbraw/zinc/86/24/47/1069862447.db2.gz PRNPEZHYZIAQLA-ZRBLBEILSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063308 1069862463 /nfs/dbraw/zinc/86/24/63/1069862463.db2.gz PRNPEZHYZIAQLA-ZRBLBEILSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063308 1069862477 /nfs/dbraw/zinc/86/24/77/1069862477.db2.gz PRNPEZHYZIAQLA-ZRBLBEILSA-N 2 1 484.689 3.764 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC1([NH+](C)C)CCCC1 ZINC001314225916 1069892982 /nfs/dbraw/zinc/89/29/82/1069892982.db2.gz QGGJEUUTTIJUBN-OAQYLSRUSA-N 2 1 470.662 3.661 20 0 JHADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC001312371026 1069893961 /nfs/dbraw/zinc/89/39/61/1069893961.db2.gz RKYFBNXBGLHPJD-QGZVFWFLSA-N 2 1 457.446 3.758 20 0 JHADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC001312371026 1069893982 /nfs/dbraw/zinc/89/39/82/1069893982.db2.gz RKYFBNXBGLHPJD-QGZVFWFLSA-N 2 1 457.446 3.758 20 0 JHADMP CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001307484290 1070011500 /nfs/dbraw/zinc/01/15/00/1070011500.db2.gz FCPCJKWUJBMUPZ-NRFANRHFSA-N 2 1 454.684 3.597 20 0 JHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075451 /nfs/dbraw/zinc/07/54/51/1070075451.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075469 /nfs/dbraw/zinc/07/54/69/1070075469.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075489 /nfs/dbraw/zinc/07/54/89/1070075489.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@H+](C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075510 /nfs/dbraw/zinc/07/55/10/1070075510.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312674999 1070075530 /nfs/dbraw/zinc/07/55/30/1070075530.db2.gz NJCYVSUYJWUUEX-PKTZIBPZSA-N 2 1 450.071 3.533 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001312767936 1070112090 /nfs/dbraw/zinc/11/20/90/1070112090.db2.gz MGQAQQVLTBZSLX-SBZWWDHJSA-N 3 1 455.691 3.630 20 0 JHADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001312767936 1070112098 /nfs/dbraw/zinc/11/20/98/1070112098.db2.gz MGQAQQVLTBZSLX-SBZWWDHJSA-N 3 1 455.691 3.630 20 0 JHADMP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001312767936 1070112108 /nfs/dbraw/zinc/11/21/08/1070112108.db2.gz MGQAQQVLTBZSLX-SBZWWDHJSA-N 3 1 455.691 3.630 20 0 JHADMP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838616 1070148187 /nfs/dbraw/zinc/14/81/87/1070148187.db2.gz GSFDXHLADYDRBO-LOSJGSFVSA-N 2 1 468.617 3.546 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001312993460 1070215441 /nfs/dbraw/zinc/21/54/41/1070215441.db2.gz BAELGVBFHKNYNP-ICSRJNTNSA-N 2 1 453.469 3.828 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1Cc1ccccc1Br ZINC001312993460 1070215461 /nfs/dbraw/zinc/21/54/61/1070215461.db2.gz BAELGVBFHKNYNP-ICSRJNTNSA-N 2 1 453.469 3.828 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225916 /nfs/dbraw/zinc/22/59/16/1070225916.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 2 1 450.671 3.940 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225933 /nfs/dbraw/zinc/22/59/33/1070225933.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 2 1 450.671 3.940 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCN3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC001307886583 1070225948 /nfs/dbraw/zinc/22/59/48/1070225948.db2.gz WQBCYLPQXCSSPL-PLQXJYEYSA-N 2 1 450.671 3.940 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314399869 1070261133 /nfs/dbraw/zinc/26/11/33/1070261133.db2.gz HGFKPGTXTCFGGA-GOTSBHOMSA-N 2 1 454.663 3.566 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001308440821 1070376367 /nfs/dbraw/zinc/37/63/67/1070376367.db2.gz XBPSMSFCYCMYLC-ATIYNZHBSA-N 2 1 457.062 3.719 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1CC ZINC001314496109 1070416175 /nfs/dbraw/zinc/41/61/75/1070416175.db2.gz NFRFFRZJYWHDTM-NVQXNPDNSA-N 2 1 486.730 3.628 20 0 JHADMP C[NH+](C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649843 1070757426 /nfs/dbraw/zinc/75/74/26/1070757426.db2.gz DYHWZEQLFSMNRF-XZOQPEGZSA-N 2 1 460.711 3.993 20 0 JHADMP C[NH+](C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314649842 1070757564 /nfs/dbraw/zinc/75/75/64/1070757564.db2.gz DYHWZEQLFSMNRF-PKTZIBPZSA-N 2 1 460.711 3.993 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313646938 1070810119 /nfs/dbraw/zinc/81/01/19/1070810119.db2.gz XQYNDRWGSOMTFH-UHFFFAOYSA-N 2 1 489.753 3.512 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313646938 1070810160 /nfs/dbraw/zinc/81/01/60/1070810160.db2.gz XQYNDRWGSOMTFH-UHFFFAOYSA-N 2 1 489.753 3.512 20 0 JHADMP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810519 /nfs/dbraw/zinc/81/05/19/1070810519.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810551 /nfs/dbraw/zinc/81/05/51/1070810551.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810576 /nfs/dbraw/zinc/81/05/76/1070810576.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 2 1 459.631 3.540 20 0 JHADMP CC[C@@H]1C[NH+](CC)CCN1S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810594 /nfs/dbraw/zinc/81/05/94/1070810594.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313656231 1070848961 /nfs/dbraw/zinc/84/89/61/1070848961.db2.gz HLKFGKIRNZWJBH-AZUAARDMSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001313659495 1070863195 /nfs/dbraw/zinc/86/31/95/1070863195.db2.gz IHOGDRDKCITIKJ-UMXIMWEHSA-N 2 1 478.689 3.928 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC001313664560 1070877651 /nfs/dbraw/zinc/87/76/51/1070877651.db2.gz MLLBLKIMZNIAHN-RPWUZVMVSA-N 2 1 454.663 3.786 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001313665843 1070881663 /nfs/dbraw/zinc/88/16/63/1070881663.db2.gz SDSCTXIEVCFBOA-XUZZJYLKSA-N 2 1 470.662 3.581 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC[NH+]1CCCCC1 ZINC001314713023 1070899403 /nfs/dbraw/zinc/89/94/03/1070899403.db2.gz BEOHCVXXRXPVSO-UHFFFAOYSA-N 2 1 475.081 3.879 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313669837 1070895602 /nfs/dbraw/zinc/89/56/02/1070895602.db2.gz DQUMOUCDAFRJJQ-NJDAHSKKSA-N 2 1 451.663 3.999 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001313694173 1070955937 /nfs/dbraw/zinc/95/59/37/1070955937.db2.gz PRTQMWQGABCMGR-QHCPKHFHSA-N 2 1 453.679 3.695 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313694663 1070956643 /nfs/dbraw/zinc/95/66/43/1070956643.db2.gz HPQIKMUYTHSJOT-XPWALMASSA-N 2 1 460.711 3.851 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313721342 1071023838 /nfs/dbraw/zinc/02/38/38/1071023838.db2.gz KIKSHIUGMWCWLW-DLBZAZTESA-N 2 1 499.523 3.656 20 0 JHADMP O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)Nc1ccccc1C[NH+]1CCSCC1 ZINC001310216354 1071213319 /nfs/dbraw/zinc/21/33/19/1071213319.db2.gz RPAWCUVPXDIVOB-HSZRJFAPSA-N 2 1 454.640 3.514 20 0 JHADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)Nc1ccccc1C[NH+]1CCSCC1 ZINC001310216354 1071213328 /nfs/dbraw/zinc/21/33/28/1071213328.db2.gz RPAWCUVPXDIVOB-HSZRJFAPSA-N 2 1 454.640 3.514 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001313805841 1071221236 /nfs/dbraw/zinc/22/12/36/1071221236.db2.gz UFUMQGVBTRNJIN-GOSISDBHSA-N 2 1 463.468 3.968 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC001313805841 1071221244 /nfs/dbraw/zinc/22/12/44/1071221244.db2.gz UFUMQGVBTRNJIN-GOSISDBHSA-N 2 1 463.468 3.968 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(C)C ZINC001313805841 1071221254 /nfs/dbraw/zinc/22/12/54/1071221254.db2.gz UFUMQGVBTRNJIN-GOSISDBHSA-N 2 1 463.468 3.968 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CC[NH+](C)Cc1ccccc1 ZINC001314860691 1071250537 /nfs/dbraw/zinc/25/05/37/1071250537.db2.gz LDVRICPZQIPKJZ-UHFFFAOYSA-N 2 1 454.663 3.615 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CC[NH+](C)Cc1ccccc1 ZINC001314860691 1071250543 /nfs/dbraw/zinc/25/05/43/1071250543.db2.gz LDVRICPZQIPKJZ-UHFFFAOYSA-N 2 1 454.663 3.615 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001314860691 1071250558 /nfs/dbraw/zinc/25/05/58/1071250558.db2.gz LDVRICPZQIPKJZ-UHFFFAOYSA-N 2 1 454.663 3.615 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(C2CCCC2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001314860691 1071250577 /nfs/dbraw/zinc/25/05/77/1071250577.db2.gz LDVRICPZQIPKJZ-UHFFFAOYSA-N 2 1 454.663 3.615 20 0 JHADMP CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC001313813653 1071255487 /nfs/dbraw/zinc/25/54/87/1071255487.db2.gz WGVPGGFWMUVORK-UHFFFAOYSA-N 2 1 453.660 3.763 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC001313813653 1071255495 /nfs/dbraw/zinc/25/54/95/1071255495.db2.gz WGVPGGFWMUVORK-UHFFFAOYSA-N 2 1 453.660 3.763 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001313820490 1071278207 /nfs/dbraw/zinc/27/82/07/1071278207.db2.gz WWLAGGMBSQJLRT-JWQCQUIFSA-N 2 1 481.733 3.855 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCC2)CC1)C(C)C ZINC001313820149 1071276256 /nfs/dbraw/zinc/27/62/56/1071276256.db2.gz KISNNKOKDPSMSP-UHFFFAOYSA-N 2 1 454.663 3.879 20 0 JHADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(C(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001314893418 1071324751 /nfs/dbraw/zinc/32/47/51/1071324751.db2.gz QPYAQIZHLMEOOT-JTHBVZDNSA-N 2 1 470.710 3.704 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001313858239 1071358103 /nfs/dbraw/zinc/35/81/03/1071358103.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001313858239 1071358114 /nfs/dbraw/zinc/35/81/14/1071358114.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@H]1C ZINC001313858239 1071358126 /nfs/dbraw/zinc/35/81/26/1071358126.db2.gz ABCGMIDNUJDIMM-WOJBJXKFSA-N 2 1 454.619 3.579 20 0 JHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC001310386859 1071358925 /nfs/dbraw/zinc/35/89/25/1071358925.db2.gz QWZODKCAJFWXBA-UHFFFAOYSA-N 2 1 457.663 3.513 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357153 /nfs/dbraw/zinc/35/71/53/1071357153.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357165 /nfs/dbraw/zinc/35/71/65/1071357165.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313858019 1071357180 /nfs/dbraw/zinc/35/71/80/1071357180.db2.gz FBPHXQCVBFBTSJ-OIBXWCBGSA-N 2 1 481.689 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCC2)C[C@H]1C ZINC001313859283 1071363032 /nfs/dbraw/zinc/36/30/32/1071363032.db2.gz FJVUWKLXVHMUBQ-HSALFYBXSA-N 2 1 458.626 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868813 1071403390 /nfs/dbraw/zinc/40/33/90/1071403390.db2.gz BEJKYRLKEWWNOR-RTWAWAEBSA-N 2 1 486.680 3.816 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313869252 1071408310 /nfs/dbraw/zinc/40/83/10/1071408310.db2.gz OZMIZEATOHFJLS-URYYLNOGSA-N 2 1 460.711 3.849 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313871118 1071415861 /nfs/dbraw/zinc/41/58/61/1071415861.db2.gz XBBKREYABZDSPE-IEGUWTFLSA-N 2 1 485.677 3.995 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871797 1071418224 /nfs/dbraw/zinc/41/82/24/1071418224.db2.gz HNXWSSFPTGETSG-FUPPJEDESA-N 2 1 456.679 3.773 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871920 1071419056 /nfs/dbraw/zinc/41/90/56/1071419056.db2.gz VPAYEOCBYUVXJM-VQTJNVASSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1C ZINC001313871918 1071419165 /nfs/dbraw/zinc/41/91/65/1071419165.db2.gz VPAYEOCBYUVXJM-PMACEKPBSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428899 /nfs/dbraw/zinc/42/88/99/1071428899.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428903 /nfs/dbraw/zinc/42/89/03/1071428903.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 2 1 470.710 3.569 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313874505 1071428905 /nfs/dbraw/zinc/42/89/05/1071428905.db2.gz IHLCEZHFNMUAIF-PMOQBDJRSA-N 2 1 470.710 3.569 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428944 /nfs/dbraw/zinc/42/89/44/1071428944.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428947 /nfs/dbraw/zinc/42/89/47/1071428947.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874838 1071428950 /nfs/dbraw/zinc/42/89/50/1071428950.db2.gz OFRNEIQPUDGUOO-VABKMULXSA-N 2 1 461.658 3.703 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874854 1071431514 /nfs/dbraw/zinc/43/15/14/1071431514.db2.gz QRMQLSTWYDEFHU-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313891328 1071485342 /nfs/dbraw/zinc/48/53/42/1071485342.db2.gz UZGJFZZSEZVWOZ-QFIPXVFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001313891328 1071485344 /nfs/dbraw/zinc/48/53/44/1071485344.db2.gz UZGJFZZSEZVWOZ-QFIPXVFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001313891328 1071485353 /nfs/dbraw/zinc/48/53/53/1071485353.db2.gz UZGJFZZSEZVWOZ-QFIPXVFZSA-N 2 1 454.663 3.818 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313900147 1071508613 /nfs/dbraw/zinc/50/86/13/1071508613.db2.gz NGFYWKYVTDZKPF-HSZRJFAPSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313908847 1071530826 /nfs/dbraw/zinc/53/08/26/1071530826.db2.gz PGVMPFSFPQFWAE-FQEVSTJZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599101 /nfs/dbraw/zinc/59/91/01/1071599101.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 2 1 478.483 3.831 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599116 /nfs/dbraw/zinc/59/91/16/1071599116.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 2 1 478.483 3.831 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313933699 1071599125 /nfs/dbraw/zinc/59/91/25/1071599125.db2.gz MOMLYNBESMYYBD-KRWDZBQOSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313934212 1071601574 /nfs/dbraw/zinc/60/15/74/1071601574.db2.gz QNJWAUQIKHSZAV-ZWKOTPCHSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313936454 1071607977 /nfs/dbraw/zinc/60/79/77/1071607977.db2.gz OECFKZJEEVIPAY-QUCCMNQESA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313936454 1071607980 /nfs/dbraw/zinc/60/79/80/1071607980.db2.gz OECFKZJEEVIPAY-QUCCMNQESA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313936454 1071607984 /nfs/dbraw/zinc/60/79/84/1071607984.db2.gz OECFKZJEEVIPAY-QUCCMNQESA-N 2 1 479.044 3.625 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313936455 1071608458 /nfs/dbraw/zinc/60/84/58/1071608458.db2.gz OECFKZJEEVIPAY-UYAOXDASSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313936455 1071608461 /nfs/dbraw/zinc/60/84/61/1071608461.db2.gz OECFKZJEEVIPAY-UYAOXDASSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313936455 1071608463 /nfs/dbraw/zinc/60/84/63/1071608463.db2.gz OECFKZJEEVIPAY-UYAOXDASSA-N 2 1 479.044 3.625 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941391 1071616896 /nfs/dbraw/zinc/61/68/96/1071616896.db2.gz CGRJLQZWZRYUEE-VABKMULXSA-N 2 1 484.689 3.584 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617015 /nfs/dbraw/zinc/61/70/15/1071617015.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 2 1 484.689 3.584 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617017 /nfs/dbraw/zinc/61/70/17/1071617017.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 2 1 484.689 3.584 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617023 /nfs/dbraw/zinc/61/70/23/1071617023.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 2 1 484.689 3.584 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC001313948590 1071634007 /nfs/dbraw/zinc/63/40/07/1071634007.db2.gz LRICYCNZMBNJSA-IBGZPJMESA-N 2 1 458.676 3.594 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949765 1071637037 /nfs/dbraw/zinc/63/70/37/1071637037.db2.gz RPEXABHANOJWRD-FCHUYYIVSA-N 2 1 470.662 3.518 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001313951165 1071641190 /nfs/dbraw/zinc/64/11/90/1071641190.db2.gz ZEANPJHJYVSSFM-XMMPIXPASA-N 2 1 481.733 3.776 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928610 1068226999 /nfs/dbraw/zinc/22/69/99/1068226999.db2.gz KSYUCUSKYKTPPD-NHCUHLMSSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928610 1068227012 /nfs/dbraw/zinc/22/70/12/1068227012.db2.gz KSYUCUSKYKTPPD-NHCUHLMSSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001305928610 1068227022 /nfs/dbraw/zinc/22/70/22/1068227022.db2.gz KSYUCUSKYKTPPD-NHCUHLMSSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001305928610 1068227034 /nfs/dbraw/zinc/22/70/34/1068227034.db2.gz KSYUCUSKYKTPPD-NHCUHLMSSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306205538 1068596106 /nfs/dbraw/zinc/59/61/06/1068596106.db2.gz MNUDTYOJQMTIKI-FQEVSTJZSA-N 2 1 454.644 3.536 20 0 JHADMP CCc1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001306208101 1068599155 /nfs/dbraw/zinc/59/91/55/1068599155.db2.gz VEHGTXFNKMXZCY-XMMPIXPASA-N 2 1 452.691 3.963 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001306399999 1068856862 /nfs/dbraw/zinc/85/68/62/1068856862.db2.gz GYVOIECHBQECGY-QHCPKHFHSA-N 2 1 484.689 3.765 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001306410514 1068892087 /nfs/dbraw/zinc/89/20/87/1068892087.db2.gz DWDPDZQEWZDQMS-CQOQZXRMSA-N 2 1 454.663 3.531 20 0 JHADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306439969 1068946579 /nfs/dbraw/zinc/94/65/79/1068946579.db2.gz CEVKBEGPTMGWKH-ARNLJNQMSA-N 2 1 497.732 3.567 20 0 JHADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306439969 1068946592 /nfs/dbraw/zinc/94/65/92/1068946592.db2.gz CEVKBEGPTMGWKH-ARNLJNQMSA-N 2 1 497.732 3.567 20 0 JHADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306439969 1068946605 /nfs/dbraw/zinc/94/66/05/1068946605.db2.gz CEVKBEGPTMGWKH-ARNLJNQMSA-N 2 1 497.732 3.567 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306447699 1068962026 /nfs/dbraw/zinc/96/20/26/1068962026.db2.gz VNDKURVCJZDNGV-WPFOTENUSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306447699 1068962033 /nfs/dbraw/zinc/96/20/33/1068962033.db2.gz VNDKURVCJZDNGV-WPFOTENUSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306447699 1068962036 /nfs/dbraw/zinc/96/20/36/1068962036.db2.gz VNDKURVCJZDNGV-WPFOTENUSA-N 2 1 460.711 3.678 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC001310931708 1069225479 /nfs/dbraw/zinc/22/54/79/1069225479.db2.gz AWIQPXADEOCOFE-UHFFFAOYSA-N 2 1 459.635 3.697 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164415077 718880958 /nfs/dbraw/zinc/88/09/58/718880958.db2.gz ZYEAWJQHBDOACR-PXNSSMCTSA-N 2 1 497.606 3.534 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164415077 718880961 /nfs/dbraw/zinc/88/09/61/718880961.db2.gz ZYEAWJQHBDOACR-PXNSSMCTSA-N 2 1 497.606 3.534 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1 ZINC001164813290 720235785 /nfs/dbraw/zinc/23/57/85/720235785.db2.gz MNBAVHSBGWVMSN-UHFFFAOYSA-N 2 1 497.713 3.957 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813290 720235791 /nfs/dbraw/zinc/23/57/91/720235791.db2.gz MNBAVHSBGWVMSN-UHFFFAOYSA-N 2 1 497.713 3.957 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827808 720323321 /nfs/dbraw/zinc/32/33/21/720323321.db2.gz ISBLVXCFTFWCEJ-ZEQRLZLVSA-N 2 1 476.600 3.530 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4Cc5nccn5C[C@@H](C[NH+](C)C)C4)c23)C1 ZINC001164732878 720524272 /nfs/dbraw/zinc/52/42/72/720524272.db2.gz GNUJIUFKUIILQD-RTBURBONSA-N 2 1 479.698 3.806 20 0 JHADMP Clc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c2c(n1)C[NH2+]CC2 ZINC001164755003 720905715 /nfs/dbraw/zinc/90/57/15/720905715.db2.gz XSXLKROCEWDVAR-RLWLMLJZSA-N 2 1 468.045 3.531 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866723 721195581 /nfs/dbraw/zinc/19/55/81/721195581.db2.gz CHJHCRVCZHDANG-NHCUHLMSSA-N 2 1 475.971 3.531 20 0 JHADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164808892 721591577 /nfs/dbraw/zinc/59/15/77/721591577.db2.gz RGLSKFCTJDTTAL-ZRBLBEILSA-N 2 1 489.998 3.920 20 0 JHADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164808892 721591580 /nfs/dbraw/zinc/59/15/80/721591580.db2.gz RGLSKFCTJDTTAL-ZRBLBEILSA-N 2 1 489.998 3.920 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974030 722123997 /nfs/dbraw/zinc/12/39/97/722123997.db2.gz IHJCXFISMAPKKL-UKILVPOCSA-N 2 1 454.578 3.602 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974030 722124000 /nfs/dbraw/zinc/12/40/00/722124000.db2.gz IHJCXFISMAPKKL-UKILVPOCSA-N 2 1 454.578 3.602 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC001311357196 1069340823 /nfs/dbraw/zinc/34/08/23/1069340823.db2.gz CSPABSTYNJSOTF-UHFFFAOYSA-N 2 1 455.691 3.622 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379587 1069353334 /nfs/dbraw/zinc/35/33/34/1069353334.db2.gz DGGRXBRHOZORLW-RPWUZVMVSA-N 2 1 455.691 3.849 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)CC[N@H+]1CCOC ZINC001306652771 1069363744 /nfs/dbraw/zinc/36/37/44/1069363744.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001306652771 1069363752 /nfs/dbraw/zinc/36/37/52/1069363752.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)CC[NH+]1CCOC ZINC001306652771 1069363761 /nfs/dbraw/zinc/36/37/61/1069363761.db2.gz YDYXMXZCUIOMCQ-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306681033 1069408615 /nfs/dbraw/zinc/40/86/15/1069408615.db2.gz HBAYJBHRQLQWBC-DEOSSOPVSA-N 2 1 488.124 3.935 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001306681227 1069409950 /nfs/dbraw/zinc/40/99/50/1069409950.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001306681227 1069409955 /nfs/dbraw/zinc/40/99/55/1069409955.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001306681227 1069409959 /nfs/dbraw/zinc/40/99/59/1069409959.db2.gz UIIBZNRQGZPLRZ-JOCHJYFZSA-N 2 1 461.743 3.550 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306681242 1069409992 /nfs/dbraw/zinc/40/99/92/1069409992.db2.gz UNMQJXKANNCTRL-GOTSBHOMSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306681242 1069410003 /nfs/dbraw/zinc/41/00/03/1069410003.db2.gz UNMQJXKANNCTRL-GOTSBHOMSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306681242 1069410005 /nfs/dbraw/zinc/41/00/05/1069410005.db2.gz UNMQJXKANNCTRL-GOTSBHOMSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001306682739 1069413813 /nfs/dbraw/zinc/41/38/13/1069413813.db2.gz KGINJHDJYPBSPQ-FQEVSTJZSA-N 2 1 458.626 3.506 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001306682739 1069413817 /nfs/dbraw/zinc/41/38/17/1069413817.db2.gz KGINJHDJYPBSPQ-FQEVSTJZSA-N 2 1 458.626 3.506 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2ccccc2F)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001306682739 1069413820 /nfs/dbraw/zinc/41/38/20/1069413820.db2.gz KGINJHDJYPBSPQ-FQEVSTJZSA-N 2 1 458.626 3.506 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306686272 1069422574 /nfs/dbraw/zinc/42/25/74/1069422574.db2.gz CQKTWBIDZBEGQR-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001306686272 1069422583 /nfs/dbraw/zinc/42/25/83/1069422583.db2.gz CQKTWBIDZBEGQR-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306686272 1069422567 /nfs/dbraw/zinc/42/25/67/1069422567.db2.gz CQKTWBIDZBEGQR-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CN(C(=O)N[C@@H](COc1ccccc1F)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001311526634 1069424161 /nfs/dbraw/zinc/42/41/61/1069424161.db2.gz XUXBZIBACKCSLU-VWNXMTODSA-N 2 1 454.590 3.756 20 0 JHADMP C[C@@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC001311793586 1069547678 /nfs/dbraw/zinc/54/76/78/1069547678.db2.gz HXHCOGXAKHBAKM-FQEVSTJZSA-N 2 1 456.656 3.511 20 0 JHADMP C[C@@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC001311793586 1069547681 /nfs/dbraw/zinc/54/76/81/1069547681.db2.gz HXHCOGXAKHBAKM-FQEVSTJZSA-N 2 1 456.656 3.511 20 0 JHADMP C[C@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC001311793587 1069547729 /nfs/dbraw/zinc/54/77/29/1069547729.db2.gz HXHCOGXAKHBAKM-HXUWFJFHSA-N 2 1 456.656 3.511 20 0 JHADMP C[C@H](CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC001311793587 1069547736 /nfs/dbraw/zinc/54/77/36/1069547736.db2.gz HXHCOGXAKHBAKM-HXUWFJFHSA-N 2 1 456.656 3.511 20 0 JHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001311956041 1069634692 /nfs/dbraw/zinc/63/46/92/1069634692.db2.gz FXHQKLXSOQIUPC-DHLKQENFSA-N 2 1 450.627 3.729 20 0 JHADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)[C@H](C)C1 ZINC001311966219 1069641167 /nfs/dbraw/zinc/64/11/67/1069641167.db2.gz YNHSJBZJRKHPHR-NOZRDPDXSA-N 2 1 456.675 3.920 20 0 JHADMP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038503 1069761700 /nfs/dbraw/zinc/76/17/00/1069761700.db2.gz GHSWUMJCRUDVFY-XJUOHMSHSA-N 2 1 489.108 3.800 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038503 1069761707 /nfs/dbraw/zinc/76/17/07/1069761707.db2.gz GHSWUMJCRUDVFY-XJUOHMSHSA-N 2 1 489.108 3.800 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038503 1069761718 /nfs/dbraw/zinc/76/17/18/1069761718.db2.gz GHSWUMJCRUDVFY-XJUOHMSHSA-N 2 1 489.108 3.800 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038503 1069761728 /nfs/dbraw/zinc/76/17/28/1069761728.db2.gz GHSWUMJCRUDVFY-XJUOHMSHSA-N 2 1 489.108 3.800 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307040645 1069766998 /nfs/dbraw/zinc/76/69/98/1069766998.db2.gz PENJYPOCXASCGW-NRFANRHFSA-N 2 1 473.735 3.924 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001307041836 1069769953 /nfs/dbraw/zinc/76/99/53/1069769953.db2.gz VBPJOLTWSMKQJM-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[N@H+]2CCCC[C@H]2CC)CC1 ZINC001307047987 1069792105 /nfs/dbraw/zinc/79/21/05/1069792105.db2.gz IUJMIDDXZZGIDF-HSZRJFAPSA-N 2 1 453.679 3.839 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232801 1069797300 /nfs/dbraw/zinc/79/73/00/1069797300.db2.gz ZTEBAWIPYQARLU-FUHWJXTLSA-N 2 1 457.432 3.577 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001307058355 1069839540 /nfs/dbraw/zinc/83/95/40/1069839540.db2.gz ZTJDFGCDKRYCNP-JOCHJYFZSA-N 2 1 458.651 3.658 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC001312322081 1069862920 /nfs/dbraw/zinc/86/29/20/1069862920.db2.gz VXXMDAWFABHAEG-APWZRJJASA-N 2 1 457.432 3.577 20 0 JHADMP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC001312371025 1069893672 /nfs/dbraw/zinc/89/36/72/1069893672.db2.gz RKYFBNXBGLHPJD-KRWDZBQOSA-N 2 1 457.446 3.758 20 0 JHADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCO1 ZINC001312371025 1069893694 /nfs/dbraw/zinc/89/36/94/1069893694.db2.gz RKYFBNXBGLHPJD-KRWDZBQOSA-N 2 1 457.446 3.758 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC001312500283 1069975536 /nfs/dbraw/zinc/97/55/36/1069975536.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001312500283 1069975546 /nfs/dbraw/zinc/97/55/46/1069975546.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 2 1 458.691 3.862 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001312500283 1069975553 /nfs/dbraw/zinc/97/55/53/1069975553.db2.gz OTBVIVXBZYJCAB-RSXGOPAZSA-N 2 1 458.691 3.862 20 0 JHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC001307488661 1070013712 /nfs/dbraw/zinc/01/37/12/1070013712.db2.gz HAKJHCRYCBRSDF-HNNXBMFYSA-N 2 1 457.446 3.736 20 0 JHADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC001307491452 1070015204 /nfs/dbraw/zinc/01/52/04/1070015204.db2.gz VAGJKABPMRXERQ-UHFFFAOYSA-N 2 1 450.627 3.708 20 0 JHADMP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1)Cc1ccccc1 ZINC001307506548 1070023709 /nfs/dbraw/zinc/02/37/09/1070023709.db2.gz DKTMUDFRFJIEGO-UHFFFAOYSA-N 2 1 450.558 3.941 20 0 JHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1)Cc1ccccc1 ZINC001307506548 1070023723 /nfs/dbraw/zinc/02/37/23/1070023723.db2.gz DKTMUDFRFJIEGO-UHFFFAOYSA-N 2 1 450.558 3.941 20 0 JHADMP COCC[C@@H](NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684034 1070081085 /nfs/dbraw/zinc/08/10/85/1070081085.db2.gz YAQNGENTCYIWEW-GHTZIAJQSA-N 2 1 457.446 3.881 20 0 JHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001312994140 1070216302 /nfs/dbraw/zinc/21/63/02/1070216302.db2.gz HYJUYPJHCJCOFO-KRWDZBQOSA-N 2 1 459.462 3.956 20 0 JHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC001312994140 1070216318 /nfs/dbraw/zinc/21/63/18/1070216318.db2.gz HYJUYPJHCJCOFO-KRWDZBQOSA-N 2 1 459.462 3.956 20 0 JHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038789 1070230201 /nfs/dbraw/zinc/23/02/01/1070230201.db2.gz BYUIQPCZMRNNDG-DQEYMECFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038789 1070230216 /nfs/dbraw/zinc/23/02/16/1070230216.db2.gz BYUIQPCZMRNNDG-DQEYMECFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001313038789 1070230229 /nfs/dbraw/zinc/23/02/29/1070230229.db2.gz BYUIQPCZMRNNDG-DQEYMECFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001313038789 1070230239 /nfs/dbraw/zinc/23/02/39/1070230239.db2.gz BYUIQPCZMRNNDG-DQEYMECFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038791 1070230654 /nfs/dbraw/zinc/23/06/54/1070230654.db2.gz BYUIQPCZMRNNDG-LOSJGSFVSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038791 1070230666 /nfs/dbraw/zinc/23/06/66/1070230666.db2.gz BYUIQPCZMRNNDG-LOSJGSFVSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001313038791 1070230677 /nfs/dbraw/zinc/23/06/77/1070230677.db2.gz BYUIQPCZMRNNDG-LOSJGSFVSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001313038791 1070230690 /nfs/dbraw/zinc/23/06/90/1070230690.db2.gz BYUIQPCZMRNNDG-LOSJGSFVSA-N 2 1 450.627 3.823 20 0 JHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955093 1070256913 /nfs/dbraw/zinc/25/69/13/1070256913.db2.gz QXAUEWPNEVVUGM-RUZDIDTESA-N 2 1 452.643 3.643 20 0 JHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955093 1070256930 /nfs/dbraw/zinc/25/69/30/1070256930.db2.gz QXAUEWPNEVVUGM-RUZDIDTESA-N 2 1 452.643 3.643 20 0 JHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955093 1070256942 /nfs/dbraw/zinc/25/69/42/1070256942.db2.gz QXAUEWPNEVVUGM-RUZDIDTESA-N 2 1 452.643 3.643 20 0 JHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955093 1070256958 /nfs/dbraw/zinc/25/69/58/1070256958.db2.gz QXAUEWPNEVVUGM-RUZDIDTESA-N 2 1 452.643 3.643 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314397515 1070257098 /nfs/dbraw/zinc/25/70/98/1070257098.db2.gz TZGIPCMBJVSKDH-JOCHJYFZSA-N 2 1 472.634 3.640 20 0 JHADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001313138481 1070266628 /nfs/dbraw/zinc/26/66/28/1070266628.db2.gz JFAYUYSUDQOYHL-VWLOTQADSA-N 2 1 455.691 3.631 20 0 JHADMP C[NH+](C)C[C@@H](NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)c1ccc(Cl)cc1 ZINC001313263599 1070309751 /nfs/dbraw/zinc/30/97/51/1070309751.db2.gz SMQJLXYNSWKLJL-HSZRJFAPSA-N 2 1 459.034 3.923 20 0 JHADMP C[NH+]1CCN(c2ncc(C[NH2+]CCCCSc3ccccc3Br)cn2)CC1 ZINC001308277670 1070350330 /nfs/dbraw/zinc/35/03/30/1070350330.db2.gz MGXBUSPSXOLFNR-UHFFFAOYSA-N 2 1 450.450 3.653 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001313447117 1070364961 /nfs/dbraw/zinc/36/49/61/1070364961.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313447117 1070364974 /nfs/dbraw/zinc/36/49/74/1070364974.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313447117 1070364988 /nfs/dbraw/zinc/36/49/88/1070364988.db2.gz IVMWYVXXIZHHAN-URVUXULASA-N 2 1 470.662 3.756 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC001314495586 1070414395 /nfs/dbraw/zinc/41/43/95/1070414395.db2.gz IRTPHVYCXCAXBD-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1CC ZINC001314495586 1070414403 /nfs/dbraw/zinc/41/44/03/1070414403.db2.gz IRTPHVYCXCAXBD-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1CC ZINC001314495586 1070414407 /nfs/dbraw/zinc/41/44/07/1070414407.db2.gz IRTPHVYCXCAXBD-RPWUZVMVSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)C[C@H]1CC ZINC001314495585 1070414606 /nfs/dbraw/zinc/41/46/06/1070414606.db2.gz IRTPHVYCXCAXBD-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1CC ZINC001314495585 1070414611 /nfs/dbraw/zinc/41/46/11/1070414611.db2.gz IRTPHVYCXCAXBD-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1CC ZINC001314495585 1070414615 /nfs/dbraw/zinc/41/46/15/1070414615.db2.gz IRTPHVYCXCAXBD-DNQXCXABSA-N 2 1 454.663 3.757 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC001309415726 1070755849 /nfs/dbraw/zinc/75/58/49/1070755849.db2.gz BXGTVRVBDKEPGO-LOSJGSFVSA-N 2 1 455.668 3.709 20 0 JHADMP C[NH+](C)CC(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001314663241 1070791297 /nfs/dbraw/zinc/79/12/97/1070791297.db2.gz QECVKJATEQPTHD-GOSISDBHSA-N 2 1 495.499 3.998 20 0 JHADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001313647301 1070811483 /nfs/dbraw/zinc/81/14/83/1070811483.db2.gz JQGYDYFQQRSYGL-DEOSSOPVSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCC[C@@H]2C)CC1 ZINC001313647301 1070811510 /nfs/dbraw/zinc/81/15/10/1070811510.db2.gz JQGYDYFQQRSYGL-DEOSSOPVSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001313647301 1070811532 /nfs/dbraw/zinc/81/15/32/1070811532.db2.gz JQGYDYFQQRSYGL-DEOSSOPVSA-N 2 1 495.716 3.590 20 0 JHADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313647301 1070811558 /nfs/dbraw/zinc/81/15/58/1070811558.db2.gz JQGYDYFQQRSYGL-DEOSSOPVSA-N 2 1 495.716 3.590 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313659131 1070862138 /nfs/dbraw/zinc/86/21/38/1070862138.db2.gz DYFBWJCQKXZJKC-AQNXPRMDSA-N 2 1 463.070 3.874 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313659131 1070862158 /nfs/dbraw/zinc/86/21/58/1070862158.db2.gz DYFBWJCQKXZJKC-AQNXPRMDSA-N 2 1 463.070 3.874 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313659132 1070862308 /nfs/dbraw/zinc/86/23/08/1070862308.db2.gz DYFBWJCQKXZJKC-SLFFLAALSA-N 2 1 463.070 3.874 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313659132 1070862331 /nfs/dbraw/zinc/86/23/31/1070862331.db2.gz DYFBWJCQKXZJKC-SLFFLAALSA-N 2 1 463.070 3.874 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313668685 1070893149 /nfs/dbraw/zinc/89/31/49/1070893149.db2.gz RTHHQPDIIKNNQR-DNQXCXABSA-N 2 1 498.716 3.894 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313669998 1070896371 /nfs/dbraw/zinc/89/63/71/1070896371.db2.gz XPYQBIDISYJPCW-BKMJKUGQSA-N 2 1 476.710 3.504 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c(N3CC[NH+](C[C@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001313702375 1070984275 /nfs/dbraw/zinc/98/42/75/1070984275.db2.gz GYMHDVQMMKDUIY-XMMPIXPASA-N 2 1 468.690 3.767 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313703736 1070988090 /nfs/dbraw/zinc/98/80/90/1070988090.db2.gz DRSFZEMSQNRZME-UHFFFAOYSA-N 2 1 492.716 3.950 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001313713938 1071011197 /nfs/dbraw/zinc/01/11/97/1071011197.db2.gz FJELXPHMCYMXKJ-OAQYLSRUSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001313722934 1071028352 /nfs/dbraw/zinc/02/83/52/1071028352.db2.gz INZRAVHIHHTWIN-NTKDMRAZSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242798 /nfs/dbraw/zinc/24/27/98/1071242798.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242805 /nfs/dbraw/zinc/24/28/05/1071242805.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C)CCC(F)(F)F ZINC001313810753 1071242809 /nfs/dbraw/zinc/24/28/09/1071242809.db2.gz WQTYPIXGKNMOHG-FUHWJXTLSA-N 2 1 485.986 3.941 20 0 JHADMP CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001313821104 1071280596 /nfs/dbraw/zinc/28/05/96/1071280596.db2.gz RIYIZLHLPMKNRA-UHFFFAOYSA-N 2 1 499.723 3.733 20 0 JHADMP CC[N@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001313821104 1071280611 /nfs/dbraw/zinc/28/06/11/1071280611.db2.gz RIYIZLHLPMKNRA-UHFFFAOYSA-N 2 1 499.723 3.733 20 0 JHADMP CC[N@@H+](CCn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001313821104 1071280622 /nfs/dbraw/zinc/28/06/22/1071280622.db2.gz RIYIZLHLPMKNRA-UHFFFAOYSA-N 2 1 499.723 3.733 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001314873091 1071290067 /nfs/dbraw/zinc/29/00/67/1071290067.db2.gz TXKSNTAVAKRJRL-DEOSSOPVSA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001314873091 1071290081 /nfs/dbraw/zinc/29/00/81/1071290081.db2.gz TXKSNTAVAKRJRL-DEOSSOPVSA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314873091 1071290097 /nfs/dbraw/zinc/29/00/97/1071290097.db2.gz TXKSNTAVAKRJRL-DEOSSOPVSA-N 2 1 482.717 3.731 20 0 JHADMP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(CCc2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314873091 1071290117 /nfs/dbraw/zinc/29/01/17/1071290117.db2.gz TXKSNTAVAKRJRL-DEOSSOPVSA-N 2 1 482.717 3.731 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859109 1071361432 /nfs/dbraw/zinc/36/14/32/1071361432.db2.gz DGFADYSXLHOZBB-ZWKOTPCHSA-N 2 1 461.452 3.722 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001313859710 1071364207 /nfs/dbraw/zinc/36/42/07/1071364207.db2.gz GXSMGEMJVKTIEM-ACRUOGEOSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CC=CCC2)C[C@@H]1C ZINC001313859710 1071364223 /nfs/dbraw/zinc/36/42/23/1071364223.db2.gz GXSMGEMJVKTIEM-ACRUOGEOSA-N 2 1 456.610 3.738 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1C ZINC001313859710 1071364235 /nfs/dbraw/zinc/36/42/35/1071364235.db2.gz GXSMGEMJVKTIEM-ACRUOGEOSA-N 2 1 456.610 3.738 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864532 1071387321 /nfs/dbraw/zinc/38/73/21/1071387321.db2.gz YQXYDKNKIBIFDC-QIJZPMMNSA-N 2 1 458.651 3.653 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313865172 1071390994 /nfs/dbraw/zinc/39/09/94/1071390994.db2.gz HZFQMSUESSQSNX-SFTDATJTSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313865172 1071390999 /nfs/dbraw/zinc/39/09/99/1071390999.db2.gz HZFQMSUESSQSNX-SFTDATJTSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313865172 1071391016 /nfs/dbraw/zinc/39/10/16/1071391016.db2.gz HZFQMSUESSQSNX-SFTDATJTSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868809 1071403213 /nfs/dbraw/zinc/40/32/13/1071403213.db2.gz BEJKYRLKEWWNOR-LEWJYISDSA-N 2 1 486.680 3.816 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874333 1071427992 /nfs/dbraw/zinc/42/79/92/1071427992.db2.gz NNQDTGTYTKOACI-DHIUTWEWSA-N 2 1 453.679 3.839 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313874416 1071428697 /nfs/dbraw/zinc/42/86/97/1071428697.db2.gz NVGCSYNDNLJVIX-ZWKOTPCHSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313874416 1071428704 /nfs/dbraw/zinc/42/87/04/1071428704.db2.gz NVGCSYNDNLJVIX-ZWKOTPCHSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313874851 1071431416 /nfs/dbraw/zinc/43/14/16/1071431416.db2.gz QRMQLSTWYDEFHU-MOPGFXCFSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441526 /nfs/dbraw/zinc/44/15/26/1071441526.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441529 /nfs/dbraw/zinc/44/15/29/1071441529.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313877432 1071441532 /nfs/dbraw/zinc/44/15/32/1071441532.db2.gz TZXMLXWULVFOKY-HKBOAZHASA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313878934 1071446904 /nfs/dbraw/zinc/44/69/04/1071446904.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313878934 1071446908 /nfs/dbraw/zinc/44/69/08/1071446908.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313878934 1071446912 /nfs/dbraw/zinc/44/69/12/1071446912.db2.gz WJRKWEWSSMWYHV-FKBYEOEOSA-N 2 1 470.662 3.659 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879200 1071448453 /nfs/dbraw/zinc/44/84/53/1071448453.db2.gz ZCKCVVFXYMNEKD-VABKMULXSA-N 2 1 484.689 3.905 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313888344 1071476889 /nfs/dbraw/zinc/47/68/89/1071476889.db2.gz NPDPLMATNZHQSB-JOCHJYFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313888344 1071476892 /nfs/dbraw/zinc/47/68/92/1071476892.db2.gz NPDPLMATNZHQSB-JOCHJYFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313888344 1071476897 /nfs/dbraw/zinc/47/68/97/1071476897.db2.gz NPDPLMATNZHQSB-JOCHJYFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001313890142 1071481440 /nfs/dbraw/zinc/48/14/40/1071481440.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001313890142 1071481445 /nfs/dbraw/zinc/48/14/45/1071481445.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001313890142 1071481452 /nfs/dbraw/zinc/48/14/52/1071481452.db2.gz MIXQFFPZKNQXNV-MSOLQXFVSA-N 2 1 491.478 3.588 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001313892401 1071487787 /nfs/dbraw/zinc/48/77/87/1071487787.db2.gz FFCPCEUXDMUJQJ-IBGZPJMESA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313892401 1071487789 /nfs/dbraw/zinc/48/77/89/1071487789.db2.gz FFCPCEUXDMUJQJ-IBGZPJMESA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313892401 1071487798 /nfs/dbraw/zinc/48/77/98/1071487798.db2.gz FFCPCEUXDMUJQJ-IBGZPJMESA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313908849 1071531198 /nfs/dbraw/zinc/53/11/98/1071531198.db2.gz PGVMPFSFPQFWAE-HXUWFJFHSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001313914257 1071545116 /nfs/dbraw/zinc/54/51/16/1071545116.db2.gz LZAAEESRTIQXHF-RBZQAINGSA-N 2 1 490.737 3.618 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001313914257 1071545121 /nfs/dbraw/zinc/54/51/21/1071545121.db2.gz LZAAEESRTIQXHF-RBZQAINGSA-N 2 1 490.737 3.618 20 0 JHADMP CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556691 /nfs/dbraw/zinc/55/66/91/1071556691.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556700 /nfs/dbraw/zinc/55/67/00/1071556700.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919438 1071556709 /nfs/dbraw/zinc/55/67/09/1071556709.db2.gz BMIHBPFGFYRTGF-ZEQRLZLVSA-N 2 1 473.754 3.908 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001313929264 1071586567 /nfs/dbraw/zinc/58/65/67/1071586567.db2.gz FVQNHCDLCSFTDA-WOJBJXKFSA-N 2 1 491.080 3.713 20 0 JHADMP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313931296 1071592065 /nfs/dbraw/zinc/59/20/65/1071592065.db2.gz QVXZTSGVGGJTBI-QZTJIDSGSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001313931296 1071592072 /nfs/dbraw/zinc/59/20/72/1071592072.db2.gz QVXZTSGVGGJTBI-QZTJIDSGSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001313934019 1071600469 /nfs/dbraw/zinc/60/04/69/1071600469.db2.gz RIYGZJLQZVJKMS-QGZVFWFLSA-N 2 1 481.472 3.629 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600577 /nfs/dbraw/zinc/60/05/77/1071600577.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 2 1 479.467 3.587 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600586 /nfs/dbraw/zinc/60/05/86/1071600586.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 2 1 479.467 3.587 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313934089 1071600590 /nfs/dbraw/zinc/60/05/90/1071600590.db2.gz SDNLMBCNCMVBFE-KRWDZBQOSA-N 2 1 479.467 3.587 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313942379 1071620229 /nfs/dbraw/zinc/62/02/29/1071620229.db2.gz IFAUDUCJDMJYMJ-XZOQPEGZSA-N 2 1 478.689 3.800 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001313943969 1071623937 /nfs/dbraw/zinc/62/39/37/1071623937.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 2 1 491.478 3.634 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC001313943969 1071623942 /nfs/dbraw/zinc/62/39/42/1071623942.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 2 1 491.478 3.634 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC001313943969 1071623946 /nfs/dbraw/zinc/62/39/46/1071623946.db2.gz XTZKCTQZKOGGAP-GOSISDBHSA-N 2 1 491.478 3.634 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313946573 1071629292 /nfs/dbraw/zinc/62/92/92/1071629292.db2.gz BLRPOEJLGYFZPZ-QFIPXVFZSA-N 2 1 470.662 3.518 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313950366 1071638221 /nfs/dbraw/zinc/63/82/21/1071638221.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313950366 1071638223 /nfs/dbraw/zinc/63/82/23/1071638223.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313950366 1071638225 /nfs/dbraw/zinc/63/82/25/1071638225.db2.gz VAJOILWXELSGDC-TZIWHRDSSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313951963 1071643780 /nfs/dbraw/zinc/64/37/80/1071643780.db2.gz WTFFRTSLEROHFU-DEOSSOPVSA-N 2 1 481.733 3.777 20 0 JHADMP CC[NH+]1CCN(CCCn2c(-c3ccccc3C)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313957827 1071661314 /nfs/dbraw/zinc/66/13/14/1071661314.db2.gz KDGVHCYGNCDJKE-UHFFFAOYSA-N 2 1 481.733 3.839 20 0 JHADMP CC[NH+]1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667293 /nfs/dbraw/zinc/66/72/93/1071667293.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 2 1 497.732 3.504 20 0 JHADMP CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667303 /nfs/dbraw/zinc/66/73/03/1071667303.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 2 1 497.732 3.504 20 0 JHADMP CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313959787 1071667309 /nfs/dbraw/zinc/66/73/09/1071667309.db2.gz AATJAXAVXUYKLD-UHFFFAOYSA-N 2 1 497.732 3.504 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314126435 1072035022 /nfs/dbraw/zinc/03/50/22/1072035022.db2.gz QVZFJYSEBWFXQU-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126435 1072035030 /nfs/dbraw/zinc/03/50/30/1072035030.db2.gz QVZFJYSEBWFXQU-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126435 1072035040 /nfs/dbraw/zinc/03/50/40/1072035040.db2.gz QVZFJYSEBWFXQU-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CCc1ccc(-c2nnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001305934719 1068235917 /nfs/dbraw/zinc/23/59/17/1068235917.db2.gz DJVAGXHNTZIEDM-VSKRKVRLSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001305985080 1068334136 /nfs/dbraw/zinc/33/41/36/1068334136.db2.gz DOWYKQDBLFZDIV-SFTDATJTSA-N 2 1 454.663 3.680 20 0 JHADMP CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306134987 1068537414 /nfs/dbraw/zinc/53/74/14/1068537414.db2.gz RGFSBDBEIJMUJY-ISKFKSNPSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306134987 1068537426 /nfs/dbraw/zinc/53/74/26/1068537426.db2.gz RGFSBDBEIJMUJY-ISKFKSNPSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306134988 1068537591 /nfs/dbraw/zinc/53/75/91/1068537591.db2.gz RGFSBDBEIJMUJY-LADGPHEKSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001306134988 1068537607 /nfs/dbraw/zinc/53/76/07/1068537607.db2.gz RGFSBDBEIJMUJY-LADGPHEKSA-N 2 1 460.711 3.678 20 0 JHADMP CCc1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001306182326 1068573061 /nfs/dbraw/zinc/57/30/61/1068573061.db2.gz FCLCEUSCRQBAGB-RUZDIDTESA-N 2 1 468.690 3.690 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306318960 1068743268 /nfs/dbraw/zinc/74/32/68/1068743268.db2.gz QGGKOMPGVALXLR-HXUWFJFHSA-N 2 1 492.510 3.841 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC001306423386 1068916401 /nfs/dbraw/zinc/91/64/01/1068916401.db2.gz LEYYGNIYLROWEC-FQEVSTJZSA-N 2 1 467.662 3.561 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306424904 1068918962 /nfs/dbraw/zinc/91/89/62/1068918962.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306424904 1068918976 /nfs/dbraw/zinc/91/89/76/1068918976.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306424904 1068918989 /nfs/dbraw/zinc/91/89/89/1068918989.db2.gz HIMXUAHTVVJMNZ-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001306434922 1068938743 /nfs/dbraw/zinc/93/87/43/1068938743.db2.gz SOHYFCUYCMLSAA-VXKWHMMOSA-N 2 1 460.711 3.536 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCN4CC[NH2+]C[C@H]4C3)n2)CC1 ZINC001164402261 718839846 /nfs/dbraw/zinc/83/98/46/718839846.db2.gz DSBBURNVPTZMNM-SFHVURJKSA-N 2 1 468.696 3.746 20 0 JHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c23)C1 ZINC001164404096 718864229 /nfs/dbraw/zinc/86/42/29/718864229.db2.gz ACLFTSOXQGMLJQ-HBFSDRIKSA-N 2 1 455.672 3.617 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164819669 720308601 /nfs/dbraw/zinc/30/86/01/720308601.db2.gz FRXBBTNJQDLKDC-RRPNLBNLSA-N 2 1 473.665 3.551 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2c1C ZINC001164735210 720524675 /nfs/dbraw/zinc/52/46/75/720524675.db2.gz WOXDSKMQIGHPAA-IBGZPJMESA-N 2 1 453.660 3.689 20 0 JHADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767726 721201657 /nfs/dbraw/zinc/20/16/57/721201657.db2.gz KLAOHWGGUXNRLB-SFTDATJTSA-N 2 1 491.709 3.858 20 0 JHADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C[NH+]5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767726 721201659 /nfs/dbraw/zinc/20/16/59/721201659.db2.gz KLAOHWGGUXNRLB-SFTDATJTSA-N 2 1 491.709 3.858 20 0 JHADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@H]12 ZINC001164808891 721591696 /nfs/dbraw/zinc/59/16/96/721591696.db2.gz RGLSKFCTJDTTAL-ZLNRFVROSA-N 2 1 489.998 3.920 20 0 JHADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@H]12 ZINC001164808891 721591697 /nfs/dbraw/zinc/59/16/97/721591697.db2.gz RGLSKFCTJDTTAL-ZLNRFVROSA-N 2 1 489.998 3.920 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913991 721734036 /nfs/dbraw/zinc/73/40/36/721734036.db2.gz ZVWIUXJJMUEHLY-XMMPIXPASA-N 3 1 457.569 3.687 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913991 721734044 /nfs/dbraw/zinc/73/40/44/721734044.db2.gz ZVWIUXJJMUEHLY-XMMPIXPASA-N 2 1 457.569 3.687 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2)CC1 ZINC001164913991 721734054 /nfs/dbraw/zinc/73/40/54/721734054.db2.gz ZVWIUXJJMUEHLY-XMMPIXPASA-N 2 1 457.569 3.687 20 0 JHADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001164951746 722016652 /nfs/dbraw/zinc/01/66/52/722016652.db2.gz DDROINNGWOOCQS-UHFFFAOYSA-N 2 1 454.622 3.922 20 0 JHADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001164951746 722016656 /nfs/dbraw/zinc/01/66/56/722016656.db2.gz DDROINNGWOOCQS-UHFFFAOYSA-N 2 1 454.622 3.922 20 0 JHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC4(CC[NH+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001164951746 722016659 /nfs/dbraw/zinc/01/66/59/722016659.db2.gz DDROINNGWOOCQS-UHFFFAOYSA-N 2 1 454.622 3.922 20 0 JHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC4(CC[NH+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001164951746 722016663 /nfs/dbraw/zinc/01/66/63/722016663.db2.gz DDROINNGWOOCQS-UHFFFAOYSA-N 2 1 454.622 3.922 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974026 722124608 /nfs/dbraw/zinc/12/46/08/722124608.db2.gz IHJCXFISMAPKKL-NOZRDPDXSA-N 2 1 454.578 3.602 20 0 JHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974026 722124613 /nfs/dbraw/zinc/12/46/13/722124613.db2.gz IHJCXFISMAPKKL-NOZRDPDXSA-N 2 1 454.578 3.602 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973121 722157938 /nfs/dbraw/zinc/15/79/38/722157938.db2.gz LHIPJFNMJZWIRM-NFBKMPQASA-N 2 1 489.998 3.779 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306632555 1069334620 /nfs/dbraw/zinc/33/46/20/1069334620.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632555 1069334638 /nfs/dbraw/zinc/33/46/38/1069334638.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632555 1069334655 /nfs/dbraw/zinc/33/46/55/1069334655.db2.gz ZWESHCSPNZYKNI-FGZHOGPDSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306632557 1069334431 /nfs/dbraw/zinc/33/44/31/1069334431.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632557 1069334446 /nfs/dbraw/zinc/33/44/46/1069334446.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632557 1069334457 /nfs/dbraw/zinc/33/44/57/1069334457.db2.gz ZWESHCSPNZYKNI-YADHBBJMSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001306647878 1069360460 /nfs/dbraw/zinc/36/04/60/1069360460.db2.gz QDRNMUURCSQNMQ-JOCHJYFZSA-N 2 1 472.653 3.753 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC001311507475 1069413878 /nfs/dbraw/zinc/41/38/78/1069413878.db2.gz CJKLQMQAJHFURK-UHFFFAOYSA-N 2 1 457.663 3.741 20 0 JHADMP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccs2)CC1 ZINC001311569764 1069442115 /nfs/dbraw/zinc/44/21/15/1069442115.db2.gz GTSZLGOMXRNCDF-GOTSBHOMSA-N 2 1 456.656 3.587 20 0 JHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573834 1069444460 /nfs/dbraw/zinc/44/44/60/1069444460.db2.gz XMDXJYSCHOFXSU-NJDAHSKKSA-N 2 1 452.496 3.791 20 0 JHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573834 1069444471 /nfs/dbraw/zinc/44/44/71/1069444471.db2.gz XMDXJYSCHOFXSU-NJDAHSKKSA-N 2 1 452.496 3.791 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001311758457 1069535297 /nfs/dbraw/zinc/53/52/97/1069535297.db2.gz LWYMRGDDRPUWFK-RLWLMLJZSA-N 2 1 450.627 3.727 20 0 JHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC001311933455 1069619380 /nfs/dbraw/zinc/61/93/80/1069619380.db2.gz QMQMXIIZVVQMHQ-NRFANRHFSA-N 2 1 457.663 3.720 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026761 1069680886 /nfs/dbraw/zinc/68/08/86/1069680886.db2.gz WDGGOQCQEMAGBD-KKUQBAQOSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026761 1069680890 /nfs/dbraw/zinc/68/08/90/1069680890.db2.gz WDGGOQCQEMAGBD-KKUQBAQOSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312026761 1069680894 /nfs/dbraw/zinc/68/08/94/1069680894.db2.gz WDGGOQCQEMAGBD-KKUQBAQOSA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312026761 1069680900 /nfs/dbraw/zinc/68/09/00/1069680900.db2.gz WDGGOQCQEMAGBD-KKUQBAQOSA-N 2 1 450.627 3.630 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178190 1069713647 /nfs/dbraw/zinc/71/36/47/1069713647.db2.gz DFTIWSAKYDIZAB-SFTDATJTSA-N 2 1 470.662 3.615 20 0 JHADMP CO[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC001312096442 1069718608 /nfs/dbraw/zinc/71/86/08/1069718608.db2.gz BBJKYGDZOVTXTP-QHCPKHFHSA-N 2 1 451.055 3.865 20 0 JHADMP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001307031582 1069741250 /nfs/dbraw/zinc/74/12/50/1069741250.db2.gz LTCRTZVVPPRPKI-FQEVSTJZSA-N 2 1 490.096 3.520 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001307031582 1069741257 /nfs/dbraw/zinc/74/12/57/1069741257.db2.gz LTCRTZVVPPRPKI-FQEVSTJZSA-N 2 1 490.096 3.520 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189145 1069746510 /nfs/dbraw/zinc/74/65/10/1069746510.db2.gz QMYMWCJGZHSRCN-LVXARBLLSA-N 2 1 486.730 3.950 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307039893 1069765119 /nfs/dbraw/zinc/76/51/19/1069765119.db2.gz GFNPIPXDJHVMEE-JOCHJYFZSA-N 2 1 453.679 3.554 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041050 1069768399 /nfs/dbraw/zinc/76/83/99/1069768399.db2.gz QDGAAENTTQHMAT-QFIPXVFZSA-N 2 1 473.735 3.922 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001307041050 1069768409 /nfs/dbraw/zinc/76/84/09/1069768409.db2.gz QDGAAENTTQHMAT-QFIPXVFZSA-N 2 1 473.735 3.922 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001307041050 1069768414 /nfs/dbraw/zinc/76/84/14/1069768414.db2.gz QDGAAENTTQHMAT-QFIPXVFZSA-N 2 1 473.735 3.922 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)CC)n2Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001307050366 1069800002 /nfs/dbraw/zinc/80/00/02/1069800002.db2.gz RCMJLBGGXNETTJ-OFVILXPXSA-N 2 1 468.690 3.717 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001307049112 1069796644 /nfs/dbraw/zinc/79/66/44/1069796644.db2.gz GUIUFYTTXWCDII-FQEVSTJZSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307054053 1069815241 /nfs/dbraw/zinc/81/52/41/1069815241.db2.gz KLAGXKOMCHAAQU-IEBWSBKVSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001307054053 1069815254 /nfs/dbraw/zinc/81/52/54/1069815254.db2.gz KLAGXKOMCHAAQU-IEBWSBKVSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001307054053 1069815284 /nfs/dbraw/zinc/81/52/84/1069815284.db2.gz KLAGXKOMCHAAQU-IEBWSBKVSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001307058915 1069841655 /nfs/dbraw/zinc/84/16/55/1069841655.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001307058915 1069841689 /nfs/dbraw/zinc/84/16/89/1069841689.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001307058915 1069841711 /nfs/dbraw/zinc/84/17/11/1069841711.db2.gz OPXYJSPTPLMGRZ-NNMXDRDESA-N 2 1 459.708 3.817 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001307058357 1069839187 /nfs/dbraw/zinc/83/91/87/1069839187.db2.gz ZTJDFGCDKRYCNP-QFIPXVFZSA-N 2 1 458.651 3.658 20 0 JHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC001307507340 1070024784 /nfs/dbraw/zinc/02/47/84/1070024784.db2.gz KOUUSJUZPGNQDY-UHFFFAOYSA-N 2 1 457.018 3.629 20 0 JHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076508 /nfs/dbraw/zinc/07/65/08/1070076508.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076522 /nfs/dbraw/zinc/07/65/22/1070076522.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076539 /nfs/dbraw/zinc/07/65/39/1070076539.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@H+](C)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076557 /nfs/dbraw/zinc/07/65/57/1070076557.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 1 450.071 3.533 20 0 JHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC001312675000 1070076572 /nfs/dbraw/zinc/07/65/72/1070076572.db2.gz NJCYVSUYJWUUEX-XZOQPEGZSA-N 2 1 450.071 3.533 20 0 JHADMP COCC[C@@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001312684037 1070081251 /nfs/dbraw/zinc/08/12/51/1070081251.db2.gz YAQNGENTCYIWEW-WIYYLYMNSA-N 2 1 457.446 3.881 20 0 JHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001313340167 1070331979 /nfs/dbraw/zinc/33/19/79/1070331979.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340167 1070331997 /nfs/dbraw/zinc/33/19/97/1070331997.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001313340167 1070332016 /nfs/dbraw/zinc/33/20/16/1070332016.db2.gz BJIIOSKEGIACEH-IZZNHLLZSA-N 2 1 456.675 3.614 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001313453018 1070383994 /nfs/dbraw/zinc/38/39/94/1070383994.db2.gz NUMDXWXIMOHBMV-XJUOHMSHSA-N 2 1 460.711 3.776 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001313453018 1070384007 /nfs/dbraw/zinc/38/40/07/1070384007.db2.gz NUMDXWXIMOHBMV-XJUOHMSHSA-N 2 1 460.711 3.776 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1C(C)(C)C ZINC001313453018 1070384019 /nfs/dbraw/zinc/38/40/19/1070384019.db2.gz NUMDXWXIMOHBMV-XJUOHMSHSA-N 2 1 460.711 3.776 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001314492671 1070405962 /nfs/dbraw/zinc/40/59/62/1070405962.db2.gz ADOGDZIEGIHGHV-UHFFFAOYSA-N 2 1 454.663 3.594 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314495511 1070413609 /nfs/dbraw/zinc/41/36/09/1070413609.db2.gz IAYVIDKHLHXZJV-QFIPXVFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314495511 1070413615 /nfs/dbraw/zinc/41/36/15/1070413615.db2.gz IAYVIDKHLHXZJV-QFIPXVFZSA-N 2 1 454.663 3.614 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001314495845 1070416322 /nfs/dbraw/zinc/41/63/22/1070416322.db2.gz KPCFGXDZPGRQQM-UHFFFAOYSA-N 2 1 475.081 3.879 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001314496916 1070418883 /nfs/dbraw/zinc/41/88/83/1070418883.db2.gz NUFJYGSWOAKZPA-NRFANRHFSA-N 2 1 475.081 3.877 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313656811 1070852550 /nfs/dbraw/zinc/85/25/50/1070852550.db2.gz LVEXHXJMDVULBN-YADHBBJMSA-N 2 1 479.673 3.689 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313656810 1070853135 /nfs/dbraw/zinc/85/31/35/1070853135.db2.gz LVEXHXJMDVULBN-VXKWHMMOSA-N 2 1 479.673 3.689 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCCCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001314714292 1070903494 /nfs/dbraw/zinc/90/34/94/1070903494.db2.gz RZQRSUVLDGMQFP-QFIPXVFZSA-N 2 1 476.710 3.579 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001313676308 1070920454 /nfs/dbraw/zinc/92/04/54/1070920454.db2.gz VMVJSHGTRQFQHJ-YFNKSVMNSA-N 2 1 468.690 3.816 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC001313677617 1070926298 /nfs/dbraw/zinc/92/62/98/1070926298.db2.gz KXALWUUIMAPLSA-PZUNEJSGSA-N 2 1 468.690 3.717 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001313699367 1070974013 /nfs/dbraw/zinc/97/40/13/1070974013.db2.gz BSDLWFGXSJXPQY-QFIPXVFZSA-N 2 1 495.716 3.617 20 0 JHADMP CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC001313702018 1070982175 /nfs/dbraw/zinc/98/21/75/1070982175.db2.gz FRIXQLJUYUDISL-QPPBQGQZSA-N 2 1 454.663 3.940 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313711976 1071007657 /nfs/dbraw/zinc/00/76/57/1071007657.db2.gz JTWMDFGJPXERSP-GOTSBHOMSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)CCCn1c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nnc1C(C)(C)C ZINC001313720000 1071021230 /nfs/dbraw/zinc/02/12/30/1071021230.db2.gz DVJFBHCSIAOSFT-RBBKRZOGSA-N 2 1 458.699 3.560 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001313722782 1071027393 /nfs/dbraw/zinc/02/73/93/1071027393.db2.gz CIOZKPDQWKHLKM-JOCHJYFZSA-N 2 1 477.657 3.710 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001313727337 1071036643 /nfs/dbraw/zinc/03/66/43/1071036643.db2.gz POXBRONLANBFBK-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCN(CC)C(=O)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001310015057 1071059547 /nfs/dbraw/zinc/05/95/47/1071059547.db2.gz GAYVCHTXNPOVJU-UHFFFAOYSA-N 2 1 457.663 3.829 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC001313803913 1071212768 /nfs/dbraw/zinc/21/27/68/1071212768.db2.gz YAPJBFVPEHSWHA-JOCHJYFZSA-N 2 1 461.054 3.630 20 0 JHADMP C[N@@H+](CCCn1c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nnc1C(C)(C)C)C1CCCCC1 ZINC001314853868 1071231846 /nfs/dbraw/zinc/23/18/46/1071231846.db2.gz FIIRVLGMNNMCQT-QFIPXVFZSA-N 2 1 460.711 3.779 20 0 JHADMP CC[N@@H+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001313819008 1071271377 /nfs/dbraw/zinc/27/13/77/1071271377.db2.gz FIFQNHCUNSRDDB-UHFFFAOYSA-N 2 1 468.690 3.867 20 0 JHADMP CC[NH+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001313819008 1071271393 /nfs/dbraw/zinc/27/13/93/1071271393.db2.gz FIFQNHCUNSRDDB-UHFFFAOYSA-N 2 1 468.690 3.867 20 0 JHADMP CC[NH+](CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001313819008 1071271410 /nfs/dbraw/zinc/27/14/10/1071271410.db2.gz FIFQNHCUNSRDDB-UHFFFAOYSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C)[C@@H]1C)C(C)C ZINC001313819025 1071271441 /nfs/dbraw/zinc/27/14/41/1071271441.db2.gz FUHMGJHEZBLUTQ-ZEQRLZLVSA-N 2 1 499.773 3.703 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C)[C@H]1C)C(C)C ZINC001313819023 1071271554 /nfs/dbraw/zinc/27/15/54/1071271554.db2.gz FUHMGJHEZBLUTQ-DNQXCXABSA-N 2 1 499.773 3.703 20 0 JHADMP COC(=O)C(C)(C)c1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001310369448 1071346244 /nfs/dbraw/zinc/34/62/44/1071346244.db2.gz ANIJTWNMQFWEPM-UHFFFAOYSA-N 2 1 458.647 3.797 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859107 1071361491 /nfs/dbraw/zinc/36/14/91/1071361491.db2.gz DGFADYSXLHOZBB-QZTJIDSGSA-N 2 1 461.452 3.722 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@@H]1C ZINC001313859108 1071361694 /nfs/dbraw/zinc/36/16/94/1071361694.db2.gz DGFADYSXLHOZBB-ROUUACIJSA-N 2 1 461.452 3.722 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362818 /nfs/dbraw/zinc/36/28/18/1071362818.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362830 /nfs/dbraw/zinc/36/28/30/1071362830.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@H]1C ZINC001313859155 1071362841 /nfs/dbraw/zinc/36/28/41/1071362841.db2.gz DYDLSGZBKVTIQQ-QTEQDKRBSA-N 2 1 475.081 3.754 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313868649 1071405633 /nfs/dbraw/zinc/40/56/33/1071405633.db2.gz VPXQMRSJRIMKNL-PRTQVNTJSA-N 2 1 453.679 3.935 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313868284 1071403485 /nfs/dbraw/zinc/40/34/85/1071403485.db2.gz NJBSCPSEGAZTHK-HBMCJLEFSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313871798 1071418291 /nfs/dbraw/zinc/41/82/91/1071418291.db2.gz HNXWSSFPTGETSG-GIWBLDEGSA-N 2 1 456.679 3.773 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001313871919 1071419152 /nfs/dbraw/zinc/41/91/52/1071419152.db2.gz VPAYEOCBYUVXJM-UXHICEINSA-N 2 1 470.662 3.756 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424752 /nfs/dbraw/zinc/42/47/52/1071424752.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 2 1 467.706 3.939 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424756 /nfs/dbraw/zinc/42/47/56/1071424756.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 2 1 467.706 3.939 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313873225 1071424760 /nfs/dbraw/zinc/42/47/60/1071424760.db2.gz KIAQLTWJTKFHJP-BJESRGMDSA-N 2 1 467.706 3.939 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873706 1071425443 /nfs/dbraw/zinc/42/54/43/1071425443.db2.gz LPHVIGYVIUDNNS-SLSDLSHTSA-N 2 1 461.658 3.794 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313874334 1071427851 /nfs/dbraw/zinc/42/78/51/1071427851.db2.gz NNQDTGTYTKOACI-GOTSBHOMSA-N 2 1 453.679 3.839 20 0 JHADMP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313874605 1071429534 /nfs/dbraw/zinc/42/95/34/1071429534.db2.gz AZKCJIPZXGVDAU-VWLOTQADSA-N 2 1 495.716 3.639 20 0 JHADMP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001313880595 1071452519 /nfs/dbraw/zinc/45/25/19/1071452519.db2.gz YNVXXZARDXNHCZ-UHFFFAOYSA-N 2 1 462.727 3.783 20 0 JHADMP CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313881905 1071456608 /nfs/dbraw/zinc/45/66/08/1071456608.db2.gz QIPDWKJOFJWZKF-NRFANRHFSA-N 2 1 470.662 3.518 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313887336 1071473404 /nfs/dbraw/zinc/47/34/04/1071473404.db2.gz UWGJUPFUNPSCPX-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313887336 1071473415 /nfs/dbraw/zinc/47/34/15/1071473415.db2.gz UWGJUPFUNPSCPX-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccccc3Br)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313887336 1071473420 /nfs/dbraw/zinc/47/34/20/1071473420.db2.gz UWGJUPFUNPSCPX-LJQANCHMSA-N 2 1 475.479 3.970 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313903131 1071514871 /nfs/dbraw/zinc/51/48/71/1071514871.db2.gz MFNOJMYDWBQNNO-HXUWFJFHSA-N 2 1 491.478 3.634 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313904835 1071519841 /nfs/dbraw/zinc/51/98/41/1071519841.db2.gz VDPDBEJDOQXXOP-FQEVSTJZSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313904835 1071519852 /nfs/dbraw/zinc/51/98/52/1071519852.db2.gz VDPDBEJDOQXXOP-FQEVSTJZSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313904835 1071519864 /nfs/dbraw/zinc/51/98/64/1071519864.db2.gz VDPDBEJDOQXXOP-FQEVSTJZSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@H]1C ZINC001313928341 1071583795 /nfs/dbraw/zinc/58/37/95/1071583795.db2.gz ATMREGRGCPORSY-OFNKIYASSA-N 2 1 454.663 3.952 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313934493 1071602304 /nfs/dbraw/zinc/60/23/04/1071602304.db2.gz AKRCEMZUVQUYSH-KRWDZBQOSA-N 2 1 479.442 3.863 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936452 1071607947 /nfs/dbraw/zinc/60/79/47/1071607947.db2.gz OECFKZJEEVIPAY-AZUAARDMSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936452 1071607949 /nfs/dbraw/zinc/60/79/49/1071607949.db2.gz OECFKZJEEVIPAY-AZUAARDMSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936452 1071607950 /nfs/dbraw/zinc/60/79/50/1071607950.db2.gz OECFKZJEEVIPAY-AZUAARDMSA-N 2 1 479.044 3.625 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943309 1071622641 /nfs/dbraw/zinc/62/26/41/1071622641.db2.gz RKJBYSKDAGNKNV-SGNDLWITSA-N 2 1 484.689 3.504 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313949109 1071635863 /nfs/dbraw/zinc/63/58/63/1071635863.db2.gz HUPKBZITJPSSLP-WOJBJXKFSA-N 2 1 492.087 3.542 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313953059 1071647710 /nfs/dbraw/zinc/64/77/10/1071647710.db2.gz FWASJFGOABNSCL-DNQXCXABSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313953059 1071647717 /nfs/dbraw/zinc/64/77/17/1071647717.db2.gz FWASJFGOABNSCL-DNQXCXABSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3ccccc3C)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313953059 1071647721 /nfs/dbraw/zinc/64/77/21/1071647721.db2.gz FWASJFGOABNSCL-DNQXCXABSA-N 2 1 467.706 3.590 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(COc3ccc(C)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313953670 1071649566 /nfs/dbraw/zinc/64/95/66/1071649566.db2.gz HKFPTVVYIWXNMZ-UHFFFAOYSA-N 2 1 497.732 3.504 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCn1cc[nH+]c1C ZINC001305988197 1068343726 /nfs/dbraw/zinc/34/37/26/1068343726.db2.gz PAMDMCJUJHLEFJ-UHFFFAOYSA-N 2 1 465.646 3.935 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001306322401 1068753035 /nfs/dbraw/zinc/75/30/35/1068753035.db2.gz JVWPXQVJTFZLIK-NRFANRHFSA-N 2 1 454.667 3.558 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306386963 1068820590 /nfs/dbraw/zinc/82/05/90/1068820590.db2.gz MIIMWRZDHQZLRK-DQEYMECFSA-N 2 1 468.690 3.839 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC[N@H+]1CCOC ZINC001306388557 1068824233 /nfs/dbraw/zinc/82/42/33/1068824233.db2.gz KCUVMZGTJBSOKI-QHCPKHFHSA-N 2 1 462.727 3.881 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC[N@H+]1CCOC ZINC001306390174 1068827361 /nfs/dbraw/zinc/82/73/61/1068827361.db2.gz RIIRPTILYJSICJ-JOCHJYFZSA-N 2 1 492.778 3.874 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306413070 1068899644 /nfs/dbraw/zinc/89/96/44/1068899644.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306413070 1068899658 /nfs/dbraw/zinc/89/96/58/1068899658.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306413070 1068899663 /nfs/dbraw/zinc/89/96/63/1068899663.db2.gz YAXVWVOAOLOFEX-OAQYLSRUSA-N 2 1 490.096 3.663 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306439971 1068946471 /nfs/dbraw/zinc/94/64/71/1068946471.db2.gz CEVKBEGPTMGWKH-SONWIMMPSA-N 2 1 497.732 3.567 20 0 JHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC001310598072 1069042248 /nfs/dbraw/zinc/04/22/48/1069042248.db2.gz VPXCYCNKHXGMPX-XMMPIXPASA-N 2 1 453.656 3.568 20 0 JHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC001310598072 1069042253 /nfs/dbraw/zinc/04/22/53/1069042253.db2.gz VPXCYCNKHXGMPX-XMMPIXPASA-N 2 1 453.656 3.568 20 0 JHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)cc1 ZINC001306586539 1069253361 /nfs/dbraw/zinc/25/33/61/1069253361.db2.gz IDBHYYYPZPCUQS-UPVQGACJSA-N 2 1 452.599 3.539 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823506 720339287 /nfs/dbraw/zinc/33/92/87/720339287.db2.gz GKRMAUFKDFIEND-FGZHOGPDSA-N 2 1 496.725 3.815 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823507 720339456 /nfs/dbraw/zinc/33/94/56/720339456.db2.gz GKRMAUFKDFIEND-VXKWHMMOSA-N 2 1 496.725 3.815 20 0 JHADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164735499 720524253 /nfs/dbraw/zinc/52/42/53/720524253.db2.gz YSUAKQGNOGXEBD-GOSISDBHSA-N 2 1 465.671 3.560 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747598 720856819 /nfs/dbraw/zinc/85/68/19/720856819.db2.gz IEGIRMIFXQQJQI-BKKFENPESA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747598 720856823 /nfs/dbraw/zinc/85/68/23/720856823.db2.gz IEGIRMIFXQQJQI-BKKFENPESA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164747598 720856824 /nfs/dbraw/zinc/85/68/24/720856824.db2.gz IEGIRMIFXQQJQI-BKKFENPESA-N 2 1 463.674 3.990 20 0 JHADMP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751727 720901853 /nfs/dbraw/zinc/90/18/53/720901853.db2.gz DDERNGUTZUXULT-UHSQPCAPSA-N 2 1 491.680 3.706 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746494 720906969 /nfs/dbraw/zinc/90/69/69/720906969.db2.gz AZAWDNNGSFBIEC-DWACAAAGSA-N 2 1 489.620 3.890 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccn2)n1 ZINC001164792060 721484590 /nfs/dbraw/zinc/48/45/90/721484590.db2.gz LCXWNZGFCMSEEU-ZCNNSNEGSA-N 2 1 481.670 3.703 20 0 JHADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808889 721591913 /nfs/dbraw/zinc/59/19/13/721591913.db2.gz RGLSKFCTJDTTAL-DNVJHFABSA-N 2 1 489.998 3.920 20 0 JHADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164808889 721591915 /nfs/dbraw/zinc/59/19/15/721591915.db2.gz RGLSKFCTJDTTAL-DNVJHFABSA-N 2 1 489.998 3.920 20 0 JHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164915140 721786579 /nfs/dbraw/zinc/78/65/79/721786579.db2.gz INERINXSRITQMC-MUUNZHRXSA-N 2 1 469.589 3.587 20 0 JHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164915140 721786585 /nfs/dbraw/zinc/78/65/85/721786585.db2.gz INERINXSRITQMC-MUUNZHRXSA-N 2 1 469.589 3.587 20 0 JHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC3)C2)cc1 ZINC001164941452 721933070 /nfs/dbraw/zinc/93/30/70/721933070.db2.gz IBFVALUQHKYISL-UHFFFAOYSA-N 3 1 450.627 3.734 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306631600 1069332045 /nfs/dbraw/zinc/33/20/45/1069332045.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 2 1 462.727 3.926 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306631600 1069332057 /nfs/dbraw/zinc/33/20/57/1069332057.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 2 1 462.727 3.926 20 0 JHADMP CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306631600 1069332073 /nfs/dbraw/zinc/33/20/73/1069332073.db2.gz SOUVNGCIUUFJIZ-JOCHJYFZSA-N 2 1 462.727 3.926 20 0 JHADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359892 1069343960 /nfs/dbraw/zinc/34/39/60/1069343960.db2.gz NMVMOPUAHVVPGQ-AREMUKBSSA-N 2 1 455.691 3.620 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001306677940 1069402357 /nfs/dbraw/zinc/40/23/57/1069402357.db2.gz FXPGXFDRYAUGDV-JTHBVZDNSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001306677940 1069402372 /nfs/dbraw/zinc/40/23/72/1069402372.db2.gz FXPGXFDRYAUGDV-JTHBVZDNSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001306677940 1069402379 /nfs/dbraw/zinc/40/23/79/1069402379.db2.gz FXPGXFDRYAUGDV-JTHBVZDNSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677937 1069402633 /nfs/dbraw/zinc/40/26/33/1069402633.db2.gz FXPGXFDRYAUGDV-FYYLOGMGSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677937 1069402643 /nfs/dbraw/zinc/40/26/43/1069402643.db2.gz FXPGXFDRYAUGDV-FYYLOGMGSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677937 1069402646 /nfs/dbraw/zinc/40/26/46/1069402646.db2.gz FXPGXFDRYAUGDV-FYYLOGMGSA-N 2 1 487.737 3.688 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306725885 1069467174 /nfs/dbraw/zinc/46/71/74/1069467174.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306725885 1069467175 /nfs/dbraw/zinc/46/71/75/1069467175.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 2 1 459.708 3.819 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306725885 1069467183 /nfs/dbraw/zinc/46/71/83/1069467183.db2.gz HQEKIHLROGWMKE-SIKLNZKXSA-N 2 1 459.708 3.819 20 0 JHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819247 1069558926 /nfs/dbraw/zinc/55/89/26/1069558926.db2.gz HSGLXZZLGMBGNM-REWPJTCUSA-N 2 1 453.606 3.554 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001306781174 1069578940 /nfs/dbraw/zinc/57/89/40/1069578940.db2.gz HNKXDPZQYKHSIH-FSSWDIPSSA-N 2 1 491.725 3.511 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306802188 1069608049 /nfs/dbraw/zinc/60/80/49/1069608049.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306802188 1069608052 /nfs/dbraw/zinc/60/80/52/1069608052.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306802188 1069608056 /nfs/dbraw/zinc/60/80/56/1069608056.db2.gz HLRUBENIYAKCBJ-IRXDYDNUSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001306805918 1069617893 /nfs/dbraw/zinc/61/78/93/1069617893.db2.gz ORNCQKKADXFOEV-NRFANRHFSA-N 2 1 475.081 3.879 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC001306808452 1069625123 /nfs/dbraw/zinc/62/51/23/1069625123.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306808452 1069625132 /nfs/dbraw/zinc/62/51/32/1069625132.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 2 1 491.725 3.700 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306808452 1069625136 /nfs/dbraw/zinc/62/51/36/1069625136.db2.gz MDWIKRFYRBTZRM-LNRXMEIDSA-N 2 1 491.725 3.700 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@@H+](C)C(C)C)cc1OC ZINC001314169814 1069678061 /nfs/dbraw/zinc/67/80/61/1069678061.db2.gz NUBHVOPRNVUQQI-IFMALSPDSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169814 1069678065 /nfs/dbraw/zinc/67/80/65/1069678065.db2.gz NUBHVOPRNVUQQI-IFMALSPDSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169814 1069678068 /nfs/dbraw/zinc/67/80/68/1069678068.db2.gz NUBHVOPRNVUQQI-IFMALSPDSA-N 2 1 470.662 3.756 20 0 JHADMP CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001307005629 1069701523 /nfs/dbraw/zinc/70/15/23/1069701523.db2.gz YCGHJAGZXDGZAL-FQEVSTJZSA-N 2 1 479.044 3.771 20 0 JHADMP CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001307005629 1069701542 /nfs/dbraw/zinc/70/15/42/1069701542.db2.gz YCGHJAGZXDGZAL-FQEVSTJZSA-N 2 1 479.044 3.771 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189286 1069747235 /nfs/dbraw/zinc/74/72/35/1069747235.db2.gz RJVWDZRDBQOGFE-JTHBVZDNSA-N 2 1 454.663 3.997 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189286 1069747242 /nfs/dbraw/zinc/74/72/42/1069747242.db2.gz RJVWDZRDBQOGFE-JTHBVZDNSA-N 2 1 454.663 3.997 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307045189 1069780966 /nfs/dbraw/zinc/78/09/66/1069780966.db2.gz LQZMRDDGJUGSNV-QHCPKHFHSA-N 2 1 454.663 3.818 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307045189 1069780975 /nfs/dbraw/zinc/78/09/75/1069780975.db2.gz LQZMRDDGJUGSNV-QHCPKHFHSA-N 2 1 454.663 3.818 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307045189 1069780982 /nfs/dbraw/zinc/78/09/82/1069780982.db2.gz LQZMRDDGJUGSNV-QHCPKHFHSA-N 2 1 454.663 3.818 20 0 JHADMP C[NH+](C)CC1(CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCCC1 ZINC001312266564 1069823750 /nfs/dbraw/zinc/82/37/50/1069823750.db2.gz SROKMMJRUPANKE-UHFFFAOYSA-N 2 1 451.453 3.835 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001307055107 1069819638 /nfs/dbraw/zinc/81/96/38/1069819638.db2.gz JXVAAQPDFSKHEF-XMMPIXPASA-N 2 1 468.690 3.983 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974626 /nfs/dbraw/zinc/97/46/26/1069974626.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 2 1 450.627 3.503 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974638 /nfs/dbraw/zinc/97/46/38/1069974638.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 2 1 450.627 3.503 20 0 JHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001312499019 1069974648 /nfs/dbraw/zinc/97/46/48/1069974648.db2.gz FTDHVZLHKQYMKO-AREMUKBSSA-N 2 1 450.627 3.503 20 0 JHADMP CN(C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499068 1069974741 /nfs/dbraw/zinc/97/47/41/1069974741.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499068 1069974749 /nfs/dbraw/zinc/97/47/49/1069974749.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499068 1069974756 /nfs/dbraw/zinc/97/47/56/1069974756.db2.gz GMOPXYVQUADZOI-FTJBHMTQSA-N 2 1 450.627 3.584 20 0 JHADMP CCc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001307484291 1070011039 /nfs/dbraw/zinc/01/10/39/1070011039.db2.gz FCPCJKWUJBMUPZ-OAQYLSRUSA-N 2 1 454.684 3.597 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001307587257 1070066196 /nfs/dbraw/zinc/06/61/96/1070066196.db2.gz WIEPDGYFNWCFIW-UHFFFAOYSA-N 2 1 453.602 3.850 20 0 JHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001307587257 1070066214 /nfs/dbraw/zinc/06/62/14/1070066214.db2.gz WIEPDGYFNWCFIW-UHFFFAOYSA-N 2 1 453.602 3.850 20 0 JHADMP C[C@@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001312669609 1070072204 /nfs/dbraw/zinc/07/22/04/1070072204.db2.gz AVTBHEHESMIAEN-JOCHJYFZSA-N 2 1 450.627 3.966 20 0 JHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC001307641628 1070097196 /nfs/dbraw/zinc/09/71/96/1070097196.db2.gz YDOCRKBWINQDDY-HHHXNRCGSA-N 2 1 451.611 3.787 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC001313074648 1070241730 /nfs/dbraw/zinc/24/17/30/1070241730.db2.gz NWLPXTMEHABZEN-HUCIYCNJSA-N 2 1 451.453 3.910 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314395797 1070254686 /nfs/dbraw/zinc/25/46/86/1070254686.db2.gz GYVFRGQCGRWWLM-NZQKXSOJSA-N 2 1 468.671 3.890 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001314401053 1070261874 /nfs/dbraw/zinc/26/18/74/1070261874.db2.gz ZZUWQAIQOBAYTM-DEOSSOPVSA-N 2 1 454.663 3.710 20 0 JHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001313137684 1070265780 /nfs/dbraw/zinc/26/57/80/1070265780.db2.gz FDUMHYIKOADIOQ-RMTZWNOUSA-N 2 1 455.691 3.631 20 0 JHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001313137684 1070265802 /nfs/dbraw/zinc/26/58/02/1070265802.db2.gz FDUMHYIKOADIOQ-RMTZWNOUSA-N 2 1 455.691 3.631 20 0 JHADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313137684 1070265824 /nfs/dbraw/zinc/26/58/24/1070265824.db2.gz FDUMHYIKOADIOQ-RMTZWNOUSA-N 2 1 455.691 3.631 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1nc(-c2ccncc2)cs1 ZINC001313242563 1070303455 /nfs/dbraw/zinc/30/34/55/1070303455.db2.gz BBHUIEJAJNPLGC-UHFFFAOYSA-N 2 1 456.660 3.543 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001314494141 1070410106 /nfs/dbraw/zinc/41/01/06/1070410106.db2.gz NPFFKMSWXKBKNV-HSZRJFAPSA-N 2 1 456.679 3.599 20 0 JHADMP CC[N@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)c1 ZINC001313573146 1070687437 /nfs/dbraw/zinc/68/74/37/1070687437.db2.gz RLJWYFFSAWKGRD-UHFFFAOYSA-N 2 1 491.684 3.696 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)c1 ZINC001313573146 1070687447 /nfs/dbraw/zinc/68/74/47/1070687447.db2.gz RLJWYFFSAWKGRD-UHFFFAOYSA-N 2 1 491.684 3.696 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001313573146 1070687453 /nfs/dbraw/zinc/68/74/53/1070687453.db2.gz RLJWYFFSAWKGRD-UHFFFAOYSA-N 2 1 491.684 3.696 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001313573146 1070687461 /nfs/dbraw/zinc/68/74/61/1070687461.db2.gz RLJWYFFSAWKGRD-UHFFFAOYSA-N 2 1 491.684 3.696 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654868 1070770852 /nfs/dbraw/zinc/77/08/52/1070770852.db2.gz ILAQRHSRIRMKCE-PKTZIBPZSA-N 2 1 460.711 3.678 20 0 JHADMP C[NH+](C)CCOc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001314668564 1070805212 /nfs/dbraw/zinc/80/52/12/1070805212.db2.gz KOISVKWFUJPBNF-UHFFFAOYSA-N 2 1 491.684 3.563 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313661311 1070867571 /nfs/dbraw/zinc/86/75/71/1070867571.db2.gz DLPQCYREVVYVCX-NJYVYQBISA-N 2 1 467.662 3.702 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313661311 1070867591 /nfs/dbraw/zinc/86/75/91/1070867591.db2.gz DLPQCYREVVYVCX-NJYVYQBISA-N 2 1 467.662 3.702 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314713070 1070899840 /nfs/dbraw/zinc/89/98/40/1070899840.db2.gz CLWKGDPMLLIICU-QFIPXVFZSA-N 2 1 484.620 3.775 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314714012 1070902337 /nfs/dbraw/zinc/90/23/37/1070902337.db2.gz POSWMNDGCYMWHO-QHCPKHFHSA-N 2 1 468.690 3.860 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314714012 1070902356 /nfs/dbraw/zinc/90/23/56/1070902356.db2.gz POSWMNDGCYMWHO-QHCPKHFHSA-N 2 1 468.690 3.860 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676762 1070922628 /nfs/dbraw/zinc/92/26/28/1070922628.db2.gz ZBFQJYXMKVCODI-HBMCJLEFSA-N 2 1 460.667 3.797 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676762 1070922642 /nfs/dbraw/zinc/92/26/42/1070922642.db2.gz ZBFQJYXMKVCODI-HBMCJLEFSA-N 2 1 460.667 3.797 20 0 JHADMP C[N@H+](CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314850845 1071218636 /nfs/dbraw/zinc/21/86/36/1071218636.db2.gz NWMGTXQQHIXUHK-HSZRJFAPSA-N 2 1 460.711 3.822 20 0 JHADMP C[N@@H+](CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC001314850845 1071218643 /nfs/dbraw/zinc/21/86/43/1071218643.db2.gz NWMGTXQQHIXUHK-HSZRJFAPSA-N 2 1 460.711 3.822 20 0 JHADMP CC[N@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313810827 1071242839 /nfs/dbraw/zinc/24/28/39/1071242839.db2.gz XMXCCDNHMZUQFY-HXUWFJFHSA-N 2 1 498.594 3.669 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001313810827 1071242846 /nfs/dbraw/zinc/24/28/46/1071242846.db2.gz XMXCCDNHMZUQFY-HXUWFJFHSA-N 2 1 498.594 3.669 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357442 /nfs/dbraw/zinc/35/74/42/1071357442.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357457 /nfs/dbraw/zinc/35/74/57/1071357457.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313858021 1071357471 /nfs/dbraw/zinc/35/74/71/1071357471.db2.gz FBPHXQCVBFBTSJ-PTUXOGIPSA-N 2 1 481.689 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313859286 1071363847 /nfs/dbraw/zinc/36/38/47/1071363847.db2.gz FNKZYMIJWSNHHL-AOIWGVFYSA-N 2 1 480.499 3.931 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387486 /nfs/dbraw/zinc/38/74/86/1071387486.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387499 /nfs/dbraw/zinc/38/74/99/1071387499.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313864608 1071387509 /nfs/dbraw/zinc/38/75/09/1071387509.db2.gz ZDCTWUHFVHDJAU-ZWKOTPCHSA-N 2 1 463.468 3.967 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868073 1071402353 /nfs/dbraw/zinc/40/23/53/1071402353.db2.gz AIBAVMRTTNXGEJ-CZSZKKDXSA-N 2 1 456.704 3.534 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410183 /nfs/dbraw/zinc/41/01/83/1071410183.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410185 /nfs/dbraw/zinc/41/01/85/1071410185.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 2 1 475.081 3.874 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313869752 1071410190 /nfs/dbraw/zinc/41/01/90/1071410190.db2.gz QMHYSPYLSAGYKJ-ZRCGQRJVSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414326 /nfs/dbraw/zinc/41/43/26/1071414326.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414327 /nfs/dbraw/zinc/41/43/27/1071414327.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313870649 1071414329 /nfs/dbraw/zinc/41/43/29/1071414329.db2.gz VFSUCCOSJKBNMQ-SVFBPWRDSA-N 2 1 459.708 3.673 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313871440 1071416827 /nfs/dbraw/zinc/41/68/27/1071416827.db2.gz ZIDXGSRFRRVIAE-FCHUYYIVSA-N 2 1 470.731 3.810 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313874470 1071428666 /nfs/dbraw/zinc/42/86/66/1071428666.db2.gz IARCCWFNDZDACS-TVZXLZGTSA-N 2 1 486.730 3.830 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313874468 1071428889 /nfs/dbraw/zinc/42/88/89/1071428889.db2.gz IARCCWFNDZDACS-AOJNWGRGSA-N 2 1 486.730 3.830 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433580 /nfs/dbraw/zinc/43/35/80/1071433580.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433588 /nfs/dbraw/zinc/43/35/88/1071433588.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1)C[C@H]1CCCCO1 ZINC001310493761 1071433595 /nfs/dbraw/zinc/43/35/95/1071433595.db2.gz KZOFYVURUSLSCY-UBFVSLLYSA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441693 /nfs/dbraw/zinc/44/16/93/1071441693.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441695 /nfs/dbraw/zinc/44/16/95/1071441695.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877372 1071441696 /nfs/dbraw/zinc/44/16/96/1071441696.db2.gz STQYYKWQZPDFEH-AWRGLXIESA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879188 1071448571 /nfs/dbraw/zinc/44/85/71/1071448571.db2.gz YVZGTFZCYBFSEQ-RJGXRXQPSA-N 2 1 482.677 3.735 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460624 /nfs/dbraw/zinc/46/06/24/1071460624.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460629 /nfs/dbraw/zinc/46/06/29/1071460629.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001313883119 1071460632 /nfs/dbraw/zinc/46/06/32/1071460632.db2.gz IGCMVDORTXRBKL-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886058 1071468819 /nfs/dbraw/zinc/46/88/19/1071468819.db2.gz LOXXNTVLPFTARZ-LJQANCHMSA-N 2 1 461.054 3.869 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313886058 1071468823 /nfs/dbraw/zinc/46/88/23/1071468823.db2.gz LOXXNTVLPFTARZ-LJQANCHMSA-N 2 1 461.054 3.869 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313886058 1071468832 /nfs/dbraw/zinc/46/88/32/1071468832.db2.gz LOXXNTVLPFTARZ-LJQANCHMSA-N 2 1 461.054 3.869 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001313889437 1071480853 /nfs/dbraw/zinc/48/08/53/1071480853.db2.gz KMDGNHYPMFTBJG-OAQYLSRUSA-N 2 1 484.689 3.862 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313897136 1071501180 /nfs/dbraw/zinc/50/11/80/1071501180.db2.gz UHGWXRUMYOFPJZ-PKOBYXMFSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313897136 1071501192 /nfs/dbraw/zinc/50/11/92/1071501192.db2.gz UHGWXRUMYOFPJZ-PKOBYXMFSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313897136 1071501194 /nfs/dbraw/zinc/50/11/94/1071501194.db2.gz UHGWXRUMYOFPJZ-PKOBYXMFSA-N 2 1 481.472 3.893 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313904204 1071517630 /nfs/dbraw/zinc/51/76/30/1071517630.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 2 1 484.689 3.505 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313904204 1071517645 /nfs/dbraw/zinc/51/76/45/1071517645.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 2 1 484.689 3.505 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313904204 1071517663 /nfs/dbraw/zinc/51/76/63/1071517663.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 2 1 484.689 3.505 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313904204 1071517682 /nfs/dbraw/zinc/51/76/82/1071517682.db2.gz QHDNKGJUUAUHBU-QHCPKHFHSA-N 2 1 484.689 3.505 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(CSc2ccccc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313907010 1071525763 /nfs/dbraw/zinc/52/57/63/1071525763.db2.gz VIUXAVCNEMKYFP-HXUWFJFHSA-N 2 1 458.676 3.594 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313933210 1071597169 /nfs/dbraw/zinc/59/71/69/1071597169.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313933210 1071597178 /nfs/dbraw/zinc/59/71/78/1071597178.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313933210 1071597187 /nfs/dbraw/zinc/59/71/87/1071597187.db2.gz NUGZIRXOFRHRFV-MSOLQXFVSA-N 2 1 491.478 3.731 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001313933930 1071600323 /nfs/dbraw/zinc/60/03/23/1071600323.db2.gz PAGQKICCIBSDSR-JWZKTCGFSA-N 2 1 498.716 3.979 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940464 1071614781 /nfs/dbraw/zinc/61/47/81/1071614781.db2.gz MCAYEBYWJSHVIZ-APWZRJJASA-N 2 1 459.689 3.529 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944464 1071624865 /nfs/dbraw/zinc/62/48/65/1071624865.db2.gz CDELGQCEFBASKS-REWPJTCUSA-N 2 1 474.097 3.545 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629024 /nfs/dbraw/zinc/62/90/24/1071629024.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629030 /nfs/dbraw/zinc/62/90/30/1071629030.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H]1C ZINC001313946648 1071629034 /nfs/dbraw/zinc/62/90/34/1071629034.db2.gz SOQMCTNGEUQEKX-NFBKMPQASA-N 2 1 454.663 3.528 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635164 /nfs/dbraw/zinc/63/51/64/1071635164.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635166 /nfs/dbraw/zinc/63/51/66/1071635166.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 2 1 458.676 3.594 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001313948935 1071635169 /nfs/dbraw/zinc/63/51/69/1071635169.db2.gz MHIQFLWFTIFIJA-WOJBJXKFSA-N 2 1 458.676 3.594 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001313951140 1071641103 /nfs/dbraw/zinc/64/11/03/1071641103.db2.gz ZYVXWFCQIMGLGQ-OAQYLSRUSA-N 2 1 470.662 3.661 20 0 JHADMP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001313951454 1071642275 /nfs/dbraw/zinc/64/22/75/1071642275.db2.gz ICTSTYGEZZZBFR-VWLOTQADSA-N 2 1 481.733 3.920 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC001313951454 1071642280 /nfs/dbraw/zinc/64/22/80/1071642280.db2.gz ICTSTYGEZZZBFR-VWLOTQADSA-N 2 1 481.733 3.920 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001313951454 1071642284 /nfs/dbraw/zinc/64/22/84/1071642284.db2.gz ICTSTYGEZZZBFR-VWLOTQADSA-N 2 1 481.733 3.920 20 0 JHADMP CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313952109 1071644495 /nfs/dbraw/zinc/64/44/95/1071644495.db2.gz NCGLCRBNGNHRFV-NRFANRHFSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001313952109 1071644499 /nfs/dbraw/zinc/64/44/99/1071644499.db2.gz NCGLCRBNGNHRFV-NRFANRHFSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313952109 1071644504 /nfs/dbraw/zinc/64/45/04/1071644504.db2.gz NCGLCRBNGNHRFV-NRFANRHFSA-N 2 1 474.097 3.547 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656153 /nfs/dbraw/zinc/65/61/53/1071656153.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 2 1 459.727 3.520 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656156 /nfs/dbraw/zinc/65/61/56/1071656156.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 2 1 459.727 3.520 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313955638 1071656161 /nfs/dbraw/zinc/65/61/61/1071656161.db2.gz UETVSDPHKPBHJE-QFIPXVFZSA-N 2 1 459.727 3.520 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127927 1072038676 /nfs/dbraw/zinc/03/86/76/1072038676.db2.gz ZDXPYNAAUAAPCT-PXDATVDWSA-N 2 1 490.718 3.605 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCOC1 ZINC001314127928 1072038826 /nfs/dbraw/zinc/03/88/26/1072038826.db2.gz ZDXPYNAAUAAPCT-SQJMNOBHSA-N 2 1 490.718 3.605 20 0 JHADMP CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986505 1068338017 /nfs/dbraw/zinc/33/80/17/1068338017.db2.gz XLUSGKUODPSSQZ-NHCUHLMSSA-N 2 1 454.663 3.823 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+](CC)CC)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306386966 1068821280 /nfs/dbraw/zinc/82/12/80/1068821280.db2.gz MIIMWRZDHQZLRK-RPBOFIJWSA-N 2 1 468.690 3.839 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1CCOC ZINC001306388428 1068824546 /nfs/dbraw/zinc/82/45/46/1068824546.db2.gz WGOSBDKJPLFQHT-SIKLNZKXSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1CCOC ZINC001306388428 1068824556 /nfs/dbraw/zinc/82/45/56/1068824556.db2.gz WGOSBDKJPLFQHT-SIKLNZKXSA-N 2 1 463.070 3.905 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306398395 1068850801 /nfs/dbraw/zinc/85/08/01/1068850801.db2.gz AFDQRSIFHZCYPW-HSZRJFAPSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306398395 1068850817 /nfs/dbraw/zinc/85/08/17/1068850817.db2.gz AFDQRSIFHZCYPW-HSZRJFAPSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306398395 1068850829 /nfs/dbraw/zinc/85/08/29/1068850829.db2.gz AFDQRSIFHZCYPW-HSZRJFAPSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402229 1068863394 /nfs/dbraw/zinc/86/33/94/1068863394.db2.gz NMRTXWUUJXUBFL-NZQKXSOJSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](CC)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306402229 1068863407 /nfs/dbraw/zinc/86/34/07/1068863407.db2.gz NMRTXWUUJXUBFL-NZQKXSOJSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CC(C)(C)C[NH+](C)C)CC[N@H+]1CCOC ZINC001306408332 1068885081 /nfs/dbraw/zinc/88/50/81/1068885081.db2.gz APILJDAFCPHRHU-JOCHJYFZSA-N 2 1 479.673 3.628 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001306420352 1068912932 /nfs/dbraw/zinc/91/29/32/1068912932.db2.gz WAAZSEZXHZHVQR-XZOQPEGZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420352 1068912943 /nfs/dbraw/zinc/91/29/43/1068912943.db2.gz WAAZSEZXHZHVQR-XZOQPEGZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420352 1068912950 /nfs/dbraw/zinc/91/29/50/1068912950.db2.gz WAAZSEZXHZHVQR-XZOQPEGZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306423978 1068917829 /nfs/dbraw/zinc/91/78/29/1068917829.db2.gz NAVVZQLXWDQCPP-WPFOTENUSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306433408 1068935561 /nfs/dbraw/zinc/93/55/61/1068935561.db2.gz KYPFVWFGLDRZRJ-GMKZXUHWSA-N 2 1 468.690 3.717 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)CC[N@H+]1CCOC ZINC001306620520 1069306980 /nfs/dbraw/zinc/30/69/80/1069306980.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 2 1 473.065 3.798 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001306620520 1069306995 /nfs/dbraw/zinc/30/69/95/1069306995.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 2 1 473.065 3.798 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001306620520 1069307010 /nfs/dbraw/zinc/30/70/10/1069307010.db2.gz PTLTUNUSGUWVLK-QHCPKHFHSA-N 2 1 473.065 3.798 20 0 JHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620765 719008408 /nfs/dbraw/zinc/00/84/08/719008408.db2.gz ZLVZTPBWAMEGML-ABYGYWHVSA-N 2 1 474.649 3.789 20 0 JHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3ccn4Cc3cccc(F)c3)CC2)CC1 ZINC001164617827 719027963 /nfs/dbraw/zinc/02/79/63/719027963.db2.gz PRLWIYWKNWXTAX-UHFFFAOYSA-N 2 1 465.573 3.863 20 0 JHADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164718538 720114492 /nfs/dbraw/zinc/11/44/92/720114492.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CC2 ZINC001164718538 720114498 /nfs/dbraw/zinc/11/44/98/720114498.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CC2 ZINC001164718538 720114501 /nfs/dbraw/zinc/11/45/01/720114501.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 2 1 498.675 3.937 20 0 JHADMP COC[C@H]1CC2(C[NH+]1Cc1ccccn1)CCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164718538 720114509 /nfs/dbraw/zinc/11/45/09/720114509.db2.gz RWQZUUGAPAVWPF-AREMUKBSSA-N 2 1 498.675 3.937 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827801 720323223 /nfs/dbraw/zinc/32/32/23/720323223.db2.gz ISBLVXCFTFWCEJ-DNQXCXABSA-N 2 1 476.600 3.530 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164838336 720725194 /nfs/dbraw/zinc/72/51/94/720725194.db2.gz IBPRCXJBBPKCRZ-QHCPKHFHSA-N 3 1 450.627 3.815 20 0 JHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164838336 720725201 /nfs/dbraw/zinc/72/52/01/720725201.db2.gz IBPRCXJBBPKCRZ-QHCPKHFHSA-N 2 1 450.627 3.815 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)CC2 ZINC001164838336 720725212 /nfs/dbraw/zinc/72/52/12/720725212.db2.gz IBPRCXJBBPKCRZ-QHCPKHFHSA-N 2 1 450.627 3.815 20 0 JHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164843458 720743321 /nfs/dbraw/zinc/74/33/21/720743321.db2.gz KCWKEWKEYAALSN-QHCPKHFHSA-N 2 1 457.626 3.986 20 0 JHADMP c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738369 720821475 /nfs/dbraw/zinc/82/14/75/720821475.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738369 720821476 /nfs/dbraw/zinc/82/14/76/720821476.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738369 720821478 /nfs/dbraw/zinc/82/14/78/720821478.db2.gz FBOGPNIDCPZKEB-ZRRKCSAHSA-N 2 1 483.664 3.611 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951264 721991495 /nfs/dbraw/zinc/99/14/95/721991495.db2.gz LQONGRYTWWFROG-PWWKTKHKSA-N 2 1 476.687 3.618 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973974 722123412 /nfs/dbraw/zinc/12/34/12/722123412.db2.gz IGSBVGAQEDPANM-DHLKQENFSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973974 722123415 /nfs/dbraw/zinc/12/34/15/722123415.db2.gz IGSBVGAQEDPANM-DHLKQENFSA-N 2 1 472.568 3.741 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306626476 1069322322 /nfs/dbraw/zinc/32/23/22/1069322322.db2.gz YYUBHOHFRWTOCE-KEZOAJOQSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306626476 1069322338 /nfs/dbraw/zinc/32/23/38/1069322338.db2.gz YYUBHOHFRWTOCE-KEZOAJOQSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306626476 1069322354 /nfs/dbraw/zinc/32/23/54/1069322354.db2.gz YYUBHOHFRWTOCE-KEZOAJOQSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306626477 1069322709 /nfs/dbraw/zinc/32/27/09/1069322709.db2.gz YYUBHOHFRWTOCE-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306626477 1069322725 /nfs/dbraw/zinc/32/27/25/1069322725.db2.gz YYUBHOHFRWTOCE-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306626477 1069322743 /nfs/dbraw/zinc/32/27/43/1069322743.db2.gz YYUBHOHFRWTOCE-QPXUXIHVSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCC[C@H]2C)CC[N@H+]1CCOC ZINC001306633428 1069337069 /nfs/dbraw/zinc/33/70/69/1069337069.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001306633428 1069337083 /nfs/dbraw/zinc/33/70/83/1069337083.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 2 1 490.737 3.618 20 0 JHADMP CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)CC[NH+]1CCOC ZINC001306633428 1069337102 /nfs/dbraw/zinc/33/71/02/1069337102.db2.gz BMWAYSZNOHNAEL-UEQSERJNSA-N 2 1 490.737 3.618 20 0 JHADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001311359893 1069344017 /nfs/dbraw/zinc/34/40/17/1069344017.db2.gz NMVMOPUAHVVPGQ-SANMLTNESA-N 2 1 455.691 3.620 20 0 JHADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440264 1069381233 /nfs/dbraw/zinc/38/12/33/1069381233.db2.gz DJSZEJGSDNUEDV-RPBOFIJWSA-N 2 1 456.675 3.675 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001306677714 1069401590 /nfs/dbraw/zinc/40/15/90/1069401590.db2.gz BGCLOXIFECBYJO-RCZVLFRGSA-N 2 1 478.751 3.558 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001306683500 1069417223 /nfs/dbraw/zinc/41/72/23/1069417223.db2.gz VWDCQFIJVFIUGP-JOCHJYFZSA-N 2 1 488.124 3.935 20 0 JHADMP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)Cc1ccccc1 ZINC001311685793 1069502908 /nfs/dbraw/zinc/50/29/08/1069502908.db2.gz NZUJOKSYAFRCTH-UHFFFAOYSA-N 2 1 459.432 3.845 20 0 JHADMP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)Cc1ccccc1 ZINC001311685793 1069502918 /nfs/dbraw/zinc/50/29/18/1069502918.db2.gz NZUJOKSYAFRCTH-UHFFFAOYSA-N 2 1 459.432 3.845 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[NH+](CC)C2)C1 ZINC001306780009 1069576563 /nfs/dbraw/zinc/57/65/63/1069576563.db2.gz KRPLACYGFNBDBL-OALUTQOASA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001306780009 1069576573 /nfs/dbraw/zinc/57/65/73/1069576573.db2.gz KRPLACYGFNBDBL-OALUTQOASA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001306780009 1069576584 /nfs/dbraw/zinc/57/65/84/1069576584.db2.gz KRPLACYGFNBDBL-OALUTQOASA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC001307037463 1069759276 /nfs/dbraw/zinc/75/92/76/1069759276.db2.gz VGQQQGHSBFJDLC-LADGPHEKSA-N 2 1 470.710 3.776 20 0 JHADMP CCC[NH+]1CCC(Cn2c(-c3ccccc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001307038667 1069762140 /nfs/dbraw/zinc/76/21/40/1069762140.db2.gz LIIRNNXPVNWUDE-UHFFFAOYSA-N 2 1 468.690 3.862 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[NH+](CC)[C@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778464 /nfs/dbraw/zinc/77/84/64/1069778464.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778467 /nfs/dbraw/zinc/77/84/67/1069778467.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 2 1 470.662 3.832 20 0 JHADMP CCOc1ccc(O[C@H](C)c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cc1 ZINC001314197165 1069778472 /nfs/dbraw/zinc/77/84/72/1069778472.db2.gz JZJGIJSXBURXBW-BHDDXSALSA-N 2 1 470.662 3.832 20 0 JHADMP CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001307045521 1069782408 /nfs/dbraw/zinc/78/24/08/1069782408.db2.gz MDJBKFWQOHRANE-JOCHJYFZSA-N 2 1 454.663 3.647 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001307048776 1069794651 /nfs/dbraw/zinc/79/46/51/1069794651.db2.gz YRSFNZXNDKNALY-JOCHJYFZSA-N 2 1 486.680 3.820 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3F)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001307048890 1069795296 /nfs/dbraw/zinc/79/52/96/1069795296.db2.gz AUMAMWDCYTYWDH-UHFFFAOYSA-N 2 1 485.696 3.668 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001307049114 1069796622 /nfs/dbraw/zinc/79/66/22/1069796622.db2.gz GUIUFYTTXWCDII-HXUWFJFHSA-N 2 1 470.662 3.757 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCO4)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001307049759 1069797917 /nfs/dbraw/zinc/79/79/17/1069797917.db2.gz NLNJGLHIFMHHAX-UHFFFAOYSA-N 2 1 456.635 3.715 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)CC)n2Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001307050367 1069800437 /nfs/dbraw/zinc/80/04/37/1069800437.db2.gz RCMJLBGGXNETTJ-PXDATVDWSA-N 2 1 468.690 3.717 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC001307052073 1069807264 /nfs/dbraw/zinc/80/72/64/1069807264.db2.gz XXODMVNXGIVICU-WXFUMESZSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001307052073 1069807284 /nfs/dbraw/zinc/80/72/84/1069807284.db2.gz XXODMVNXGIVICU-WXFUMESZSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001307052073 1069807308 /nfs/dbraw/zinc/80/73/08/1069807308.db2.gz XXODMVNXGIVICU-WXFUMESZSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001307052326 1069807719 /nfs/dbraw/zinc/80/77/19/1069807719.db2.gz XOBMNITVOZHRGB-OAQYLSRUSA-N 2 1 454.667 3.700 20 0 JHADMP C[C@H]1C[C@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001312252630 1069810839 /nfs/dbraw/zinc/81/08/39/1069810839.db2.gz KLCHTMYPCZQWDY-DHLKQENFSA-N 2 1 450.627 3.666 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001307054304 1069816635 /nfs/dbraw/zinc/81/66/35/1069816635.db2.gz XTAQZLBAGXVWSX-LJQANCHMSA-N 2 1 459.708 3.676 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001307055806 1069823856 /nfs/dbraw/zinc/82/38/56/1069823856.db2.gz AJJXUMHJLJHZJK-QHCPKHFHSA-N 2 1 454.663 3.826 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC001307055806 1069823875 /nfs/dbraw/zinc/82/38/75/1069823875.db2.gz AJJXUMHJLJHZJK-QHCPKHFHSA-N 2 1 454.663 3.826 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001307058622 1069840164 /nfs/dbraw/zinc/84/01/64/1069840164.db2.gz OPBQGUOXJTZTFV-HSZRJFAPSA-N 2 1 475.081 3.555 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001307058622 1069840182 /nfs/dbraw/zinc/84/01/82/1069840182.db2.gz OPBQGUOXJTZTFV-HSZRJFAPSA-N 2 1 475.081 3.555 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001307058914 1069842200 /nfs/dbraw/zinc/84/22/00/1069842200.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001307058914 1069842218 /nfs/dbraw/zinc/84/22/18/1069842218.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001307058914 1069842245 /nfs/dbraw/zinc/84/22/45/1069842245.db2.gz OPXYJSPTPLMGRZ-CNNODRBYSA-N 2 1 459.708 3.817 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486858 1069965297 /nfs/dbraw/zinc/96/52/97/1069965297.db2.gz CXCBDSHYQINYSZ-NQHRYMMQSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC001312486858 1069965314 /nfs/dbraw/zinc/96/53/14/1069965314.db2.gz CXCBDSHYQINYSZ-NQHRYMMQSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001312486858 1069965329 /nfs/dbraw/zinc/96/53/29/1069965329.db2.gz CXCBDSHYQINYSZ-NQHRYMMQSA-N 2 1 452.668 3.671 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001312486858 1069965343 /nfs/dbraw/zinc/96/53/43/1069965343.db2.gz CXCBDSHYQINYSZ-NQHRYMMQSA-N 2 1 452.668 3.671 20 0 JHADMP CN(C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499067 1069974931 /nfs/dbraw/zinc/97/49/31/1069974931.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499067 1069974937 /nfs/dbraw/zinc/97/49/37/1069974937.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499067 1069974944 /nfs/dbraw/zinc/97/49/44/1069974944.db2.gz GMOPXYVQUADZOI-CLJLJLNGSA-N 2 1 450.627 3.584 20 0 JHADMP CC1(C)CCN(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC(C)(C)[NH2+]1 ZINC001312854226 1070156811 /nfs/dbraw/zinc/15/68/11/1070156811.db2.gz GCKOYBMBBCBZSA-UHFFFAOYSA-N 2 1 451.453 3.976 20 0 JHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)CC2)CC1 ZINC001307854864 1070212305 /nfs/dbraw/zinc/21/23/05/1070212305.db2.gz KQENMAHQEOQVEY-UHFFFAOYSA-N 2 1 458.448 3.898 20 0 JHADMP COC(=O)/C=C\c1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884674 1070224921 /nfs/dbraw/zinc/22/49/21/1070224921.db2.gz IAOTWSWLDZMNJE-LCAVHTSUSA-N 2 1 452.595 3.993 20 0 JHADMP COC(=O)/C=C\c1ccc(OCC[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884674 1070224928 /nfs/dbraw/zinc/22/49/28/1070224928.db2.gz IAOTWSWLDZMNJE-LCAVHTSUSA-N 2 1 452.595 3.993 20 0 JHADMP COC(=O)/C=C\c1ccc(OCC[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884674 1070224935 /nfs/dbraw/zinc/22/49/35/1070224935.db2.gz IAOTWSWLDZMNJE-LCAVHTSUSA-N 2 1 452.595 3.993 20 0 JHADMP COC(=O)/C=C/c1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884673 1070225034 /nfs/dbraw/zinc/22/50/34/1070225034.db2.gz IAOTWSWLDZMNJE-KVCQUCPUSA-N 2 1 452.595 3.993 20 0 JHADMP COC(=O)/C=C/c1ccc(OCC[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884673 1070225039 /nfs/dbraw/zinc/22/50/39/1070225039.db2.gz IAOTWSWLDZMNJE-KVCQUCPUSA-N 2 1 452.595 3.993 20 0 JHADMP COC(=O)/C=C/c1ccc(OCC[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC001307884673 1070225050 /nfs/dbraw/zinc/22/50/50/1070225050.db2.gz IAOTWSWLDZMNJE-KVCQUCPUSA-N 2 1 452.595 3.993 20 0 JHADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001307940102 1070250930 /nfs/dbraw/zinc/25/09/30/1070250930.db2.gz XCYJRGVUTHXRIV-AMHTUMDSSA-N 2 1 461.528 3.680 20 0 JHADMP CC(C)(C)OCCC[NH+]1CCN(C(=O)NCC[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC001313395938 1070347887 /nfs/dbraw/zinc/34/78/87/1070347887.db2.gz BVEFCZKEAUBNBX-UHFFFAOYSA-N 2 1 452.643 3.898 20 0 JHADMP Cn1c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC001308282722 1070351368 /nfs/dbraw/zinc/35/13/68/1070351368.db2.gz VTPIHBAQYBRVSD-UHFFFAOYSA-N 2 1 459.516 3.708 20 0 JHADMP Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001308479065 1070380100 /nfs/dbraw/zinc/38/01/00/1070380100.db2.gz MLBVTEVGWXTXNL-IBGZPJMESA-N 2 1 456.458 3.916 20 0 JHADMP Clc1cc(Cl)c(OCCN2CCOCC2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC001308479065 1070380118 /nfs/dbraw/zinc/38/01/18/1070380118.db2.gz MLBVTEVGWXTXNL-IBGZPJMESA-N 2 1 456.458 3.916 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314499153 1070426177 /nfs/dbraw/zinc/42/61/77/1070426177.db2.gz MEIUWDATVCBVLL-SBFWRKJZSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314499153 1070426180 /nfs/dbraw/zinc/42/61/80/1070426180.db2.gz MEIUWDATVCBVLL-SBFWRKJZSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1CC ZINC001314499153 1070426183 /nfs/dbraw/zinc/42/61/83/1070426183.db2.gz MEIUWDATVCBVLL-SBFWRKJZSA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](C3CC3)CC2)C[C@@H]1CC ZINC001314500523 1070431731 /nfs/dbraw/zinc/43/17/31/1070431731.db2.gz JIQCDCIAOXKBMA-QFIPXVFZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686141 /nfs/dbraw/zinc/68/61/41/1070686141.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 2 1 454.663 3.591 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686150 /nfs/dbraw/zinc/68/61/50/1070686150.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 2 1 454.663 3.591 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC001313571607 1070686159 /nfs/dbraw/zinc/68/61/59/1070686159.db2.gz AGYKPVIOGLLLLB-NRFANRHFSA-N 2 1 454.663 3.591 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574233 1070688917 /nfs/dbraw/zinc/68/89/17/1070688917.db2.gz YKBPOAJIBVEAAO-PSWAGMNNSA-N 2 1 481.733 3.896 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574233 1070688924 /nfs/dbraw/zinc/68/89/24/1070688924.db2.gz YKBPOAJIBVEAAO-PSWAGMNNSA-N 2 1 481.733 3.896 20 0 JHADMP CC[NH+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574233 1070688933 /nfs/dbraw/zinc/68/89/33/1070688933.db2.gz YKBPOAJIBVEAAO-PSWAGMNNSA-N 2 1 481.733 3.896 20 0 JHADMP C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CCSC1 ZINC001314659135 1070780656 /nfs/dbraw/zinc/78/06/56/1070780656.db2.gz MEIGUDFGJVLDDT-QHCPKHFHSA-N 2 1 462.733 3.688 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001313656234 1070849714 /nfs/dbraw/zinc/84/97/14/1070849714.db2.gz HLKFGKIRNZWJBH-UYAOXDASSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001313665775 1070881166 /nfs/dbraw/zinc/88/11/66/1070881166.db2.gz UJMGCEVEQCZJMO-LADGPHEKSA-N 2 1 454.663 3.643 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001313671043 1070898769 /nfs/dbraw/zinc/89/87/69/1070898769.db2.gz NLZWTQYSAKGDRT-GOTSBHOMSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001313702586 1070984775 /nfs/dbraw/zinc/98/47/75/1070984775.db2.gz PQUINNKXHUBKRP-FQEVSTJZSA-N 2 1 475.081 3.877 20 0 JHADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001313702586 1070984779 /nfs/dbraw/zinc/98/47/79/1070984779.db2.gz PQUINNKXHUBKRP-FQEVSTJZSA-N 2 1 475.081 3.877 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313704129 1070988775 /nfs/dbraw/zinc/98/87/75/1070988775.db2.gz GSDXLVHHKNZMHF-ZFGGDYGUSA-N 2 1 454.663 3.591 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313802295 1071208124 /nfs/dbraw/zinc/20/81/24/1071208124.db2.gz DISCVMVAURCJQA-NRFANRHFSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313802295 1071208138 /nfs/dbraw/zinc/20/81/38/1071208138.db2.gz DISCVMVAURCJQA-NRFANRHFSA-N 2 1 454.663 3.995 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313802295 1071208154 /nfs/dbraw/zinc/20/81/54/1071208154.db2.gz DISCVMVAURCJQA-NRFANRHFSA-N 2 1 454.663 3.995 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001313802016 1071207363 /nfs/dbraw/zinc/20/73/63/1071207363.db2.gz BLWQYZGULOOXHE-UHFFFAOYSA-N 2 1 485.080 3.775 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001313802016 1071207373 /nfs/dbraw/zinc/20/73/73/1071207373.db2.gz BLWQYZGULOOXHE-UHFFFAOYSA-N 2 1 485.080 3.775 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C(C)C ZINC001313802016 1071207382 /nfs/dbraw/zinc/20/73/82/1071207382.db2.gz BLWQYZGULOOXHE-UHFFFAOYSA-N 2 1 485.080 3.775 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC001313803914 1071212605 /nfs/dbraw/zinc/21/26/05/1071212605.db2.gz YAPJBFVPEHSWHA-QFIPXVFZSA-N 2 1 461.054 3.630 20 0 JHADMP O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)Nc1ccccc1C[NH+]1CCSCC1 ZINC001310216355 1071213364 /nfs/dbraw/zinc/21/33/64/1071213364.db2.gz RPAWCUVPXDIVOB-QHCPKHFHSA-N 2 1 454.640 3.514 20 0 JHADMP O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)Nc1ccccc1C[NH+]1CCSCC1 ZINC001310216355 1071213370 /nfs/dbraw/zinc/21/33/70/1071213370.db2.gz RPAWCUVPXDIVOB-QHCPKHFHSA-N 2 1 454.640 3.514 20 0 JHADMP CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313806533 1071224415 /nfs/dbraw/zinc/22/44/15/1071224415.db2.gz RWSHUJVEWGTXTO-DEOSSOPVSA-N 2 1 481.689 3.942 20 0 JHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC001310280170 1071263330 /nfs/dbraw/zinc/26/33/30/1071263330.db2.gz KKZZLDNNYVLPCQ-XMMPIXPASA-N 2 1 453.562 3.537 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864826 1071389548 /nfs/dbraw/zinc/38/95/48/1071389548.db2.gz CKJNCDXWPWGJGH-CBJLPSGESA-N 2 1 454.663 3.702 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870093 1071412334 /nfs/dbraw/zinc/41/23/34/1071412334.db2.gz FNDMSCPOSWEFPJ-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870093 1071412338 /nfs/dbraw/zinc/41/23/38/1071412338.db2.gz FNDMSCPOSWEFPJ-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870093 1071412343 /nfs/dbraw/zinc/41/23/43/1071412343.db2.gz FNDMSCPOSWEFPJ-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001313870093 1071412350 /nfs/dbraw/zinc/41/23/50/1071412350.db2.gz FNDMSCPOSWEFPJ-RTBURBONSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313874278 1071428067 /nfs/dbraw/zinc/42/80/67/1071428067.db2.gz OLDXICNOYCZGHE-FUDKSRODSA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441416 /nfs/dbraw/zinc/44/14/16/1071441416.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441420 /nfs/dbraw/zinc/44/14/20/1071441420.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 2 1 468.690 3.917 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313877374 1071441427 /nfs/dbraw/zinc/44/14/27/1071441427.db2.gz STQYYKWQZPDFEH-HFMPRLQTSA-N 2 1 468.690 3.917 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444016 /nfs/dbraw/zinc/44/40/16/1071444016.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444021 /nfs/dbraw/zinc/44/40/21/1071444021.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313877960 1071444028 /nfs/dbraw/zinc/44/40/28/1071444028.db2.gz YAOQUWYXVRGFNI-LRSLUSHPSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313878933 1071446768 /nfs/dbraw/zinc/44/67/68/1071446768.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313878933 1071446777 /nfs/dbraw/zinc/44/67/77/1071446777.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313878933 1071446781 /nfs/dbraw/zinc/44/67/81/1071446781.db2.gz WJRKWEWSSMWYHV-FDFHNCONSA-N 2 1 470.662 3.659 20 0 JHADMP CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001313881906 1071456766 /nfs/dbraw/zinc/45/67/66/1071456766.db2.gz QIPDWKJOFJWZKF-OAQYLSRUSA-N 2 1 470.662 3.518 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313886349 1071470709 /nfs/dbraw/zinc/47/07/09/1071470709.db2.gz SDDBZHKJBWINMZ-FCHUYYIVSA-N 2 1 470.662 3.517 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313895397 1071497099 /nfs/dbraw/zinc/49/70/99/1071497099.db2.gz HWJYSWKBKQLWLQ-GOSISDBHSA-N 2 1 479.442 3.861 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313896947 1071501362 /nfs/dbraw/zinc/50/13/62/1071501362.db2.gz RWVODXZRSSPPGD-QHCPKHFHSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313896947 1071501367 /nfs/dbraw/zinc/50/13/67/1071501367.db2.gz RWVODXZRSSPPGD-QHCPKHFHSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313896947 1071501379 /nfs/dbraw/zinc/50/13/79/1071501379.db2.gz RWVODXZRSSPPGD-QHCPKHFHSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313901843 1071512366 /nfs/dbraw/zinc/51/23/66/1071512366.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001313901843 1071512377 /nfs/dbraw/zinc/51/23/77/1071512377.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001313901843 1071512388 /nfs/dbraw/zinc/51/23/88/1071512388.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 2 1 461.054 3.630 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001313901843 1071512396 /nfs/dbraw/zinc/51/23/96/1071512396.db2.gz IBFVVWZOSPGIPB-IBGZPJMESA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313904467 1071518142 /nfs/dbraw/zinc/51/81/42/1071518142.db2.gz IIRLZBSGZGZUAP-NRFANRHFSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313904467 1071518152 /nfs/dbraw/zinc/51/81/52/1071518152.db2.gz IIRLZBSGZGZUAP-NRFANRHFSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(CSc2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313904467 1071518159 /nfs/dbraw/zinc/51/81/59/1071518159.db2.gz IIRLZBSGZGZUAP-NRFANRHFSA-N 2 1 472.703 3.984 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933183 1071597693 /nfs/dbraw/zinc/59/76/93/1071597693.db2.gz YFCYAQCOBCXBEM-LOSJGSFVSA-N 2 1 487.781 3.841 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001313933174 1071596826 /nfs/dbraw/zinc/59/68/26/1071596826.db2.gz YFCYAQCOBCXBEM-DQEYMECFSA-N 2 1 487.781 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313933929 1071600623 /nfs/dbraw/zinc/60/06/23/1071600623.db2.gz PAGQKICCIBSDSR-IWHLBADBSA-N 2 1 498.716 3.979 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604669 /nfs/dbraw/zinc/60/46/69/1071604669.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 2 1 493.494 3.977 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604673 /nfs/dbraw/zinc/60/46/73/1071604673.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 2 1 493.494 3.977 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001313935125 1071604680 /nfs/dbraw/zinc/60/46/80/1071604680.db2.gz XCLNJGYHRQWEGI-GOSISDBHSA-N 2 1 493.494 3.977 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC001313938214 1071611352 /nfs/dbraw/zinc/61/13/52/1071611352.db2.gz RUPZOERBQDEKCH-JOCHJYFZSA-N 2 1 468.690 3.920 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC001313938215 1071611541 /nfs/dbraw/zinc/61/15/41/1071611541.db2.gz RUPZOERBQDEKCH-QFIPXVFZSA-N 2 1 468.690 3.920 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313941473 1071617549 /nfs/dbraw/zinc/61/75/49/1071617549.db2.gz UYMNSUXKJISSAI-GOTSBHOMSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941962 1071619126 /nfs/dbraw/zinc/61/91/26/1071619126.db2.gz FRWJCEXUQUAEFV-SGNDLWITSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313945048 1071625617 /nfs/dbraw/zinc/62/56/17/1071625617.db2.gz GEXNYVOIBKBRDS-GHTZIAJQSA-N 2 1 457.022 3.949 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313946571 1071629098 /nfs/dbraw/zinc/62/90/98/1071629098.db2.gz BLFUUDQTJPNXOW-VWNXMTODSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313946571 1071629106 /nfs/dbraw/zinc/62/91/06/1071629106.db2.gz BLFUUDQTJPNXOW-VWNXMTODSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946872 1071630482 /nfs/dbraw/zinc/63/04/82/1071630482.db2.gz DQHAPBLQHZYMNZ-BDTNDASRSA-N 2 1 489.709 3.612 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001313947447 1071631524 /nfs/dbraw/zinc/63/15/24/1071631524.db2.gz HHLJVECSHAMBPP-OFVILXPXSA-N 2 1 484.689 3.907 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313949107 1071635243 /nfs/dbraw/zinc/63/52/43/1071635243.db2.gz HUPKBZITJPSSLP-UXHICEINSA-N 2 1 492.087 3.542 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640484 /nfs/dbraw/zinc/64/04/84/1071640484.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640487 /nfs/dbraw/zinc/64/04/87/1071640487.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 2 1 495.760 3.808 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313951091 1071640492 /nfs/dbraw/zinc/64/04/92/1071640492.db2.gz FJCJXNKNSKDOMR-AHWVRZQESA-N 2 1 495.760 3.808 20 0 JHADMP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313955152 1071654940 /nfs/dbraw/zinc/65/49/40/1071654940.db2.gz XZISSGNCIGHOBV-LOSJGSFVSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313955152 1071654946 /nfs/dbraw/zinc/65/49/46/1071654946.db2.gz XZISSGNCIGHOBV-LOSJGSFVSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313955152 1071654953 /nfs/dbraw/zinc/65/49/53/1071654953.db2.gz XZISSGNCIGHOBV-LOSJGSFVSA-N 2 1 481.733 3.514 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928611 1068227303 /nfs/dbraw/zinc/22/73/03/1068227303.db2.gz KSYUCUSKYKTPPD-RTWAWAEBSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CCOC(C)(C)C2)cc1 ZINC001305928611 1068227310 /nfs/dbraw/zinc/22/73/10/1068227310.db2.gz KSYUCUSKYKTPPD-RTWAWAEBSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001305928611 1068227317 /nfs/dbraw/zinc/22/73/17/1068227317.db2.gz KSYUCUSKYKTPPD-RTWAWAEBSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@@H](C)[NH+](CC)C[C@@H]3C)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001305928611 1068227323 /nfs/dbraw/zinc/22/73/23/1068227323.db2.gz KSYUCUSKYKTPPD-RTWAWAEBSA-N 2 1 454.663 3.537 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001306194847 1068585961 /nfs/dbraw/zinc/58/59/61/1068585961.db2.gz JADIGDCLZZUIFH-VXKWHMMOSA-N 2 1 454.663 3.853 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(OCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001306321933 1068752559 /nfs/dbraw/zinc/75/25/59/1068752559.db2.gz FSSOSFXHGSTIJX-QFIPXVFZSA-N 2 1 460.711 3.921 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306386599 1068820609 /nfs/dbraw/zinc/82/06/09/1068820609.db2.gz JYVFWKFOVOYSCN-NHCUHLMSSA-N 2 1 460.692 3.847 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306386600 1068820637 /nfs/dbraw/zinc/82/06/37/1068820637.db2.gz JYVFWKFOVOYSCN-RTWAWAEBSA-N 2 1 460.692 3.847 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CC2CC[NH+](CCC(C)C)CC2)CC[N@H+]1CCOC ZINC001306388556 1068824615 /nfs/dbraw/zinc/82/46/15/1068824615.db2.gz KCUVMZGTJBSOKI-HSZRJFAPSA-N 2 1 462.727 3.881 20 0 JHADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306391023 1068830432 /nfs/dbraw/zinc/83/04/32/1068830432.db2.gz VMNVFBAFCPSVJK-NOZRDPDXSA-N 2 1 498.716 3.968 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001306410513 1068892056 /nfs/dbraw/zinc/89/20/56/1068892056.db2.gz DWDPDZQEWZDQMS-AKFKNWHVSA-N 2 1 454.663 3.531 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306412926 1068899152 /nfs/dbraw/zinc/89/91/52/1068899152.db2.gz XQBNFIUNIBPULO-WPFOTENUSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306412926 1068899164 /nfs/dbraw/zinc/89/91/64/1068899164.db2.gz XQBNFIUNIBPULO-WPFOTENUSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306412926 1068899172 /nfs/dbraw/zinc/89/91/72/1068899172.db2.gz XQBNFIUNIBPULO-WPFOTENUSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306424902 1068918558 /nfs/dbraw/zinc/91/85/58/1068918558.db2.gz HIMXUAHTVVJMNZ-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306424902 1068918566 /nfs/dbraw/zinc/91/85/66/1068918566.db2.gz HIMXUAHTVVJMNZ-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306424902 1068918574 /nfs/dbraw/zinc/91/85/74/1068918574.db2.gz HIMXUAHTVVJMNZ-FYYLOGMGSA-N 2 1 460.711 3.993 20 0 JHADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306427385 1068922958 /nfs/dbraw/zinc/92/29/58/1068922958.db2.gz PNFVKALOOGRTAS-SDHSZQHLSA-N 2 1 484.689 3.678 20 0 JHADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(C[NH+](C)C)c2)CC[N@H+]1CCOC ZINC001306429034 1068926724 /nfs/dbraw/zinc/92/67/24/1068926724.db2.gz YSISMCFRJXAVDP-DEOSSOPVSA-N 2 1 454.663 3.593 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306439970 1068946329 /nfs/dbraw/zinc/94/63/29/1068946329.db2.gz CEVKBEGPTMGWKH-GIFXNVAJSA-N 2 1 497.732 3.567 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306439970 1068946334 /nfs/dbraw/zinc/94/63/34/1068946334.db2.gz CEVKBEGPTMGWKH-GIFXNVAJSA-N 2 1 497.732 3.567 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306439970 1068946341 /nfs/dbraw/zinc/94/63/41/1068946341.db2.gz CEVKBEGPTMGWKH-GIFXNVAJSA-N 2 1 497.732 3.567 20 0 JHADMP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164620770 719008196 /nfs/dbraw/zinc/00/81/96/719008196.db2.gz ZLVZTPBWAMEGML-IRPSRAIASA-N 2 1 474.649 3.789 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)c2c1CC[NH2+]C2 ZINC001164683499 719629011 /nfs/dbraw/zinc/62/90/11/719629011.db2.gz SOZGZCVCXHDTQL-UHFFFAOYSA-N 2 1 477.009 3.537 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)c(F)cc2C(=O)NCc2cccs2)c2c1CC[NH2+]C2 ZINC001164683499 719629021 /nfs/dbraw/zinc/62/90/21/719629021.db2.gz SOZGZCVCXHDTQL-UHFFFAOYSA-N 2 1 477.009 3.537 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)c2ccccc21 ZINC001164681921 719679456 /nfs/dbraw/zinc/67/94/56/719679456.db2.gz OKSBTXHYBISODX-QHCPKHFHSA-N 2 1 475.681 3.769 20 0 JHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164813916 720205998 /nfs/dbraw/zinc/20/59/98/720205998.db2.gz QUAVIRJVCZPHIS-REWPJTCUSA-N 2 1 467.004 3.841 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001164827796 720322829 /nfs/dbraw/zinc/32/28/29/720322829.db2.gz ISBLVXCFTFWCEJ-BJKOFHAPSA-N 2 1 476.600 3.530 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)CC[C@@H]2C1 ZINC001164861453 720876477 /nfs/dbraw/zinc/87/64/77/720876477.db2.gz PNOVVPAKGOZKHX-TUNNFDKTSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CC[C@H](C)C5)CC[C@@H]2C1 ZINC001164861453 720876480 /nfs/dbraw/zinc/87/64/80/720876480.db2.gz PNOVVPAKGOZKHX-TUNNFDKTSA-N 2 1 499.725 3.585 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768729 721201049 /nfs/dbraw/zinc/20/10/49/721201049.db2.gz LQFPCHHNGXQUBH-NHCUHLMSSA-N 2 1 467.687 3.842 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768729 721201051 /nfs/dbraw/zinc/20/10/51/721201051.db2.gz LQFPCHHNGXQUBH-NHCUHLMSSA-N 2 1 467.687 3.842 20 0 JHADMP FC1(F)CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906529 721695296 /nfs/dbraw/zinc/69/52/96/721695296.db2.gz NICFAAMJFBJHEO-QFIPXVFZSA-N 2 1 462.976 3.730 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306632556 1069334272 /nfs/dbraw/zinc/33/42/72/1069334272.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632556 1069334280 /nfs/dbraw/zinc/33/42/80/1069334280.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 2 1 462.727 3.924 20 0 JHADMP CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306632556 1069334289 /nfs/dbraw/zinc/33/42/89/1069334289.db2.gz ZWESHCSPNZYKNI-VXKWHMMOSA-N 2 1 462.727 3.924 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](C)[C@@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357600 1069341419 /nfs/dbraw/zinc/34/14/19/1069341419.db2.gz JVENAXOZTSLWSS-NVQXNPDNSA-N 2 1 451.659 3.623 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306681771 1069411370 /nfs/dbraw/zinc/41/13/70/1069411370.db2.gz UATPGGKBIQTBHO-ONTIZHBOSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306681771 1069411374 /nfs/dbraw/zinc/41/13/74/1069411374.db2.gz UATPGGKBIQTBHO-ONTIZHBOSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001306681771 1069411378 /nfs/dbraw/zinc/41/13/78/1069411378.db2.gz UATPGGKBIQTBHO-ONTIZHBOSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)CC1 ZINC001306680835 1069408679 /nfs/dbraw/zinc/40/86/79/1069408679.db2.gz TYMACTSRBJDFRD-AREMUKBSSA-N 2 1 489.108 3.537 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001306680835 1069408687 /nfs/dbraw/zinc/40/86/87/1069408687.db2.gz TYMACTSRBJDFRD-AREMUKBSSA-N 2 1 489.108 3.537 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001306680835 1069408694 /nfs/dbraw/zinc/40/86/94/1069408694.db2.gz TYMACTSRBJDFRD-AREMUKBSSA-N 2 1 489.108 3.537 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306683047 1069415925 /nfs/dbraw/zinc/41/59/25/1069415925.db2.gz UFTWMEITILREDF-UHFFFAOYSA-N 2 1 471.694 3.573 20 0 JHADMP CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306683047 1069415927 /nfs/dbraw/zinc/41/59/27/1069415927.db2.gz UFTWMEITILREDF-UHFFFAOYSA-N 2 1 471.694 3.573 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306683047 1069415929 /nfs/dbraw/zinc/41/59/29/1069415929.db2.gz UFTWMEITILREDF-UHFFFAOYSA-N 2 1 471.694 3.573 20 0 JHADMP CCC(CC)[C@@H](CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC001311532953 1069426315 /nfs/dbraw/zinc/42/63/15/1069426315.db2.gz JWDHVILXHICMIW-RUZDIDTESA-N 2 1 456.675 3.920 20 0 JHADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001311537868 1069429741 /nfs/dbraw/zinc/42/97/41/1069429741.db2.gz ZWOGYBCQQAPOGY-NRFANRHFSA-N 2 1 450.627 3.810 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001306726020 1069467679 /nfs/dbraw/zinc/46/76/79/1069467679.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306726020 1069467683 /nfs/dbraw/zinc/46/76/83/1069467683.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306726020 1069467689 /nfs/dbraw/zinc/46/76/89/1069467689.db2.gz JFAZMYGIAUQPJQ-WPFOTENUSA-N 2 1 453.679 3.837 20 0 JHADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493476 /nfs/dbraw/zinc/49/34/76/1069493476.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493485 /nfs/dbraw/zinc/49/34/85/1069493485.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493492 /nfs/dbraw/zinc/49/34/92/1069493492.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493496 /nfs/dbraw/zinc/49/34/96/1069493496.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 2 1 450.627 3.713 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001306787018 1069590980 /nfs/dbraw/zinc/59/09/80/1069590980.db2.gz ZMXYYWBCHZOTGN-JOCHJYFZSA-N 2 1 456.704 3.724 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306798139 1069603369 /nfs/dbraw/zinc/60/33/69/1069603369.db2.gz NXKUYXJCIHAFKW-SFTDATJTSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306798139 1069603379 /nfs/dbraw/zinc/60/33/79/1069603379.db2.gz NXKUYXJCIHAFKW-SFTDATJTSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001306798139 1069603384 /nfs/dbraw/zinc/60/33/84/1069603384.db2.gz NXKUYXJCIHAFKW-SFTDATJTSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306807022 1069620139 /nfs/dbraw/zinc/62/01/39/1069620139.db2.gz MEXIFHSFEULMQD-UHFFFAOYSA-N 2 1 461.054 3.631 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@H](C)CC)n3CC[NH+]3CCCCC3)CC2)cc1 ZINC001314187252 1069741909 /nfs/dbraw/zinc/74/19/09/1069741909.db2.gz AVVZCRJBHJQERG-JOCHJYFZSA-N 2 1 454.663 3.998 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC001307035451 1069753752 /nfs/dbraw/zinc/75/37/52/1069753752.db2.gz UMTFGRTXJGXAOB-NFBKMPQASA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)C1 ZINC001307035451 1069753756 /nfs/dbraw/zinc/75/37/56/1069753756.db2.gz UMTFGRTXJGXAOB-NFBKMPQASA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)C1 ZINC001307035451 1069753761 /nfs/dbraw/zinc/75/37/61/1069753761.db2.gz UMTFGRTXJGXAOB-NFBKMPQASA-N 2 1 475.081 3.877 20 0 JHADMP CCC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307038354 1069760609 /nfs/dbraw/zinc/76/06/09/1069760609.db2.gz IIDNOOLYBVZZCZ-OYRHEFFESA-N 2 1 472.653 3.752 20 0 JHADMP CCC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307038354 1069760629 /nfs/dbraw/zinc/76/06/29/1069760629.db2.gz IIDNOOLYBVZZCZ-OYRHEFFESA-N 2 1 472.653 3.752 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001307039252 1069763741 /nfs/dbraw/zinc/76/37/41/1069763741.db2.gz TUNMPJRTAGUHBF-HXUWFJFHSA-N 2 1 460.617 3.657 20 0 JHADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001307045311 1069781543 /nfs/dbraw/zinc/78/15/43/1069781543.db2.gz UXTZLPWMOMYWOY-OAQYLSRUSA-N 2 1 460.711 3.678 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(CC[NH+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787497 /nfs/dbraw/zinc/78/74/97/1069787497.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 2 1 481.733 3.562 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(CC[N@H+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787508 /nfs/dbraw/zinc/78/75/08/1069787508.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 2 1 481.733 3.562 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001307046959 1069787516 /nfs/dbraw/zinc/78/75/16/1069787516.db2.gz OVMTWVXYIOFFDH-RUZDIDTESA-N 2 1 481.733 3.562 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC001312232805 1069797392 /nfs/dbraw/zinc/79/73/92/1069797392.db2.gz ZTEBAWIPYQARLU-SJLPKXTDSA-N 2 1 457.432 3.577 20 0 JHADMP C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001312252635 1069811152 /nfs/dbraw/zinc/81/11/52/1069811152.db2.gz KLCHTMYPCZQWDY-WIOPSUGQSA-N 2 1 450.627 3.666 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001307053969 1069815714 /nfs/dbraw/zinc/81/57/14/1069815714.db2.gz JNTVOJVQRQPQJC-SMIHKQSGSA-N 2 1 459.727 3.661 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314219389 1069862867 /nfs/dbraw/zinc/86/28/67/1069862867.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001314219389 1069862884 /nfs/dbraw/zinc/86/28/84/1069862884.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001314219389 1069862904 /nfs/dbraw/zinc/86/29/04/1069862904.db2.gz YDYQXFCIVFITCV-RJGXRXQPSA-N 2 1 484.689 3.907 20 0 JHADMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460006 1069997520 /nfs/dbraw/zinc/99/75/20/1069997520.db2.gz ANFVXRGXLHSMRN-QHCPKHFHSA-N 2 1 458.647 3.620 20 0 JHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC001307592343 1070069371 /nfs/dbraw/zinc/06/93/71/1070069371.db2.gz ZQUWYYXVWGBLOE-UHFFFAOYSA-N 2 1 455.525 3.591 20 0 JHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC001307592343 1070069386 /nfs/dbraw/zinc/06/93/86/1070069386.db2.gz ZQUWYYXVWGBLOE-UHFFFAOYSA-N 2 1 455.525 3.591 20 0 JHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656317 1070106460 /nfs/dbraw/zinc/10/64/60/1070106460.db2.gz DEXAZSLZQJYXOJ-ROUUACIJSA-N 2 1 452.990 3.605 20 0 JHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312795840 1070125910 /nfs/dbraw/zinc/12/59/10/1070125910.db2.gz ANULDHVVGPYXEO-HXUWFJFHSA-N 2 1 450.071 3.756 20 0 JHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707962 1070137938 /nfs/dbraw/zinc/13/79/38/1070137938.db2.gz RHYCBKURIALTLY-COPCDDAFSA-N 2 1 455.565 3.923 20 0 JHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@H](C)C1 ZINC001307707962 1070137946 /nfs/dbraw/zinc/13/79/46/1070137946.db2.gz RHYCBKURIALTLY-COPCDDAFSA-N 2 1 455.565 3.923 20 0 JHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038790 1070230501 /nfs/dbraw/zinc/23/05/01/1070230501.db2.gz BYUIQPCZMRNNDG-JWQCQUIFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001313038790 1070230511 /nfs/dbraw/zinc/23/05/11/1070230511.db2.gz BYUIQPCZMRNNDG-JWQCQUIFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001313038790 1070230525 /nfs/dbraw/zinc/23/05/25/1070230525.db2.gz BYUIQPCZMRNNDG-JWQCQUIFSA-N 2 1 450.627 3.823 20 0 JHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001313038790 1070230537 /nfs/dbraw/zinc/23/05/37/1070230537.db2.gz BYUIQPCZMRNNDG-JWQCQUIFSA-N 2 1 450.627 3.823 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001314401055 1070262202 /nfs/dbraw/zinc/26/22/02/1070262202.db2.gz ZZUWQAIQOBAYTM-XMMPIXPASA-N 2 1 454.663 3.710 20 0 JHADMP COc1ccc(OCc2nc(C[NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC001308439603 1070376259 /nfs/dbraw/zinc/37/62/59/1070376259.db2.gz RKNMZGGVCXIDPD-UHFFFAOYSA-N 2 1 453.608 3.847 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243834 1070638833 /nfs/dbraw/zinc/63/88/33/1070638833.db2.gz JWSBPPTVCIMSIJ-FXSWLTOZSA-N 2 1 455.668 3.755 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001313669996 1070896279 /nfs/dbraw/zinc/89/62/79/1070896279.db2.gz XPYQBIDISYJPCW-ATIYNZHBSA-N 2 1 476.710 3.504 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314713704 1070902478 /nfs/dbraw/zinc/90/24/78/1070902478.db2.gz MPZCCYAEUTWEEE-UHFFFAOYSA-N 2 1 468.690 3.862 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccccc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314713704 1070902493 /nfs/dbraw/zinc/90/24/93/1070902493.db2.gz MPZCCYAEUTWEEE-UHFFFAOYSA-N 2 1 468.690 3.862 20 0 JHADMP CC[NH+](CC)Cc1ccccc1Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1C(C)(C)C ZINC001313705808 1070994363 /nfs/dbraw/zinc/99/43/63/1070994363.db2.gz VFSLXJQUJUZQKT-XUZZJYLKSA-N 2 1 468.690 3.623 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001313722720 1071027440 /nfs/dbraw/zinc/02/74/40/1071027440.db2.gz GPMHROZWLMQDOA-OAQYLSRUSA-N 2 1 465.621 3.922 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001313803790 1071212735 /nfs/dbraw/zinc/21/27/35/1071212735.db2.gz UYAMOEXHDZSSJX-NRFANRHFSA-N 2 1 475.081 3.877 20 0 JHADMP CC[N@@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001313806534 1071224427 /nfs/dbraw/zinc/22/44/27/1071224427.db2.gz RWSHUJVEWGTXTO-XMMPIXPASA-N 2 1 481.689 3.942 20 0 JHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCn1c(N2CC[NH+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001314857493 1071240999 /nfs/dbraw/zinc/24/09/99/1071240999.db2.gz UPBQVUKHRSFNDR-UHFFFAOYSA-N 2 1 493.741 3.733 20 0 JHADMP CC[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC001313815419 1071261255 /nfs/dbraw/zinc/26/12/55/1071261255.db2.gz WJIDEUVUDRPHRW-XMMPIXPASA-N 2 1 454.663 3.615 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314871540 1071284023 /nfs/dbraw/zinc/28/40/23/1071284023.db2.gz CCMXAHBIFHIEER-XMMPIXPASA-N 2 1 486.680 4.000 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC2CCCC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001314871540 1071284033 /nfs/dbraw/zinc/28/40/33/1071284033.db2.gz CCMXAHBIFHIEER-XMMPIXPASA-N 2 1 486.680 4.000 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001314873305 1071289690 /nfs/dbraw/zinc/28/96/90/1071289690.db2.gz XFHUWSFFXFRCOR-UHFFFAOYSA-N 2 1 498.716 3.797 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCCC1 ZINC001314873305 1071289694 /nfs/dbraw/zinc/28/96/94/1071289694.db2.gz XFHUWSFFXFRCOR-UHFFFAOYSA-N 2 1 498.716 3.797 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313858903 1071361622 /nfs/dbraw/zinc/36/16/22/1071361622.db2.gz CKMLAXMGZQIIQW-QHAWAJNXSA-N 2 1 458.626 3.962 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313859287 1071363516 /nfs/dbraw/zinc/36/35/16/1071363516.db2.gz FNKZYMIJWSNHHL-JENIJYKNSA-N 2 1 480.499 3.931 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313859558 1071364382 /nfs/dbraw/zinc/36/43/82/1071364382.db2.gz KLGYJQROQIKHRS-AQNXPRMDSA-N 2 1 490.096 3.511 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313859560 1071364744 /nfs/dbraw/zinc/36/47/44/1071364744.db2.gz KLGYJQROQIKHRS-VAMGGRTRSA-N 2 1 490.096 3.511 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313859557 1071364846 /nfs/dbraw/zinc/36/48/46/1071364846.db2.gz KLGYJQROQIKHRS-AABGKKOBSA-N 2 1 490.096 3.511 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368867 /nfs/dbraw/zinc/36/88/67/1071368867.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368881 /nfs/dbraw/zinc/36/88/81/1071368881.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313860248 1071368898 /nfs/dbraw/zinc/36/88/98/1071368898.db2.gz NBFLVXHJUXSLQB-FGZHOGPDSA-N 2 1 481.689 3.941 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313864534 1071387073 /nfs/dbraw/zinc/38/70/73/1071387073.db2.gz YQXYDKNKIBIFDC-ZFMNYDKASA-N 2 1 458.651 3.653 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001313865160 1071391270 /nfs/dbraw/zinc/39/12/70/1071391270.db2.gz HZFQMSUESSQSNX-LEWJYISDSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313865160 1071391274 /nfs/dbraw/zinc/39/12/74/1071391274.db2.gz HZFQMSUESSQSNX-LEWJYISDSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313865160 1071391284 /nfs/dbraw/zinc/39/12/84/1071391284.db2.gz HZFQMSUESSQSNX-LEWJYISDSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313864827 1071389227 /nfs/dbraw/zinc/38/92/27/1071389227.db2.gz CKJNCDXWPWGJGH-JSRBNTPPSA-N 2 1 454.663 3.702 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395850 /nfs/dbraw/zinc/39/58/50/1071395850.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395857 /nfs/dbraw/zinc/39/58/57/1071395857.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313866896 1071395867 /nfs/dbraw/zinc/39/58/67/1071395867.db2.gz HRDNRBGTGWGTPW-DHIUTWEWSA-N 2 1 468.690 3.941 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403409 /nfs/dbraw/zinc/40/34/09/1071403409.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403415 /nfs/dbraw/zinc/40/34/15/1071403415.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001313868179 1071403421 /nfs/dbraw/zinc/40/34/21/1071403421.db2.gz BEFUIMVTJQBMEX-DHIUTWEWSA-N 2 1 461.658 3.705 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313879203 1071448596 /nfs/dbraw/zinc/44/85/96/1071448596.db2.gz ZCKCVVFXYMNEKD-ZRBLBEILSA-N 2 1 484.689 3.905 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313890398 1071482384 /nfs/dbraw/zinc/48/23/84/1071482384.db2.gz YJTJLPBEVZHWFN-QHCPKHFHSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313890398 1071482389 /nfs/dbraw/zinc/48/23/89/1071482389.db2.gz YJTJLPBEVZHWFN-QHCPKHFHSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313890398 1071482395 /nfs/dbraw/zinc/48/23/95/1071482395.db2.gz YJTJLPBEVZHWFN-QHCPKHFHSA-N 2 1 456.654 3.906 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001313900148 1071508933 /nfs/dbraw/zinc/50/89/33/1071508933.db2.gz NGFYWKYVTDZKPF-QHCPKHFHSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313900966 1071510465 /nfs/dbraw/zinc/51/04/65/1071510465.db2.gz TTWZYTJTIYRBBT-QHCPKHFHSA-N 2 1 468.690 3.990 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001313900966 1071510477 /nfs/dbraw/zinc/51/04/77/1071510477.db2.gz TTWZYTJTIYRBBT-QHCPKHFHSA-N 2 1 468.690 3.990 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001313933268 1071597663 /nfs/dbraw/zinc/59/76/63/1071597663.db2.gz YLQNWOLPBOMAGH-JOCHJYFZSA-N 2 1 459.727 3.520 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313934986 1071604361 /nfs/dbraw/zinc/60/43/61/1071604361.db2.gz UKJKECHEHKZOTF-HYBUGGRVSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC001313940467 1071614873 /nfs/dbraw/zinc/61/48/73/1071614873.db2.gz MCAYEBYWJSHVIZ-VQIMIIECSA-N 2 1 459.689 3.529 20 0 JHADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001313944463 1071624923 /nfs/dbraw/zinc/62/49/23/1071624923.db2.gz CDELGQCEFBASKS-OFNKIYASSA-N 2 1 474.097 3.545 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313946568 1071629280 /nfs/dbraw/zinc/62/92/80/1071629280.db2.gz BLFUUDQTJPNXOW-ISKFKSNPSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313946568 1071629282 /nfs/dbraw/zinc/62/92/82/1071629282.db2.gz BLFUUDQTJPNXOW-ISKFKSNPSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629334 /nfs/dbraw/zinc/62/93/34/1071629334.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629335 /nfs/dbraw/zinc/62/93/35/1071629335.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946651 1071629338 /nfs/dbraw/zinc/62/93/38/1071629338.db2.gz SOQMCTNGEUQEKX-REWPJTCUSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001313948932 1071634093 /nfs/dbraw/zinc/63/40/93/1071634093.db2.gz MHIQFLWFTIFIJA-PMACEKPBSA-N 2 1 458.676 3.594 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632650 /nfs/dbraw/zinc/63/26/50/1071632650.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632664 /nfs/dbraw/zinc/63/26/64/1071632664.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313947787 1071632673 /nfs/dbraw/zinc/63/26/73/1071632673.db2.gz ZGPOAVVJIIPEJJ-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001313951453 1071641710 /nfs/dbraw/zinc/64/17/10/1071641710.db2.gz ICTSTYGEZZZBFR-RUZDIDTESA-N 2 1 481.733 3.920 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC1 ZINC001313951453 1071641713 /nfs/dbraw/zinc/64/17/13/1071641713.db2.gz ICTSTYGEZZZBFR-RUZDIDTESA-N 2 1 481.733 3.920 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001313951453 1071641718 /nfs/dbraw/zinc/64/17/18/1071641718.db2.gz ICTSTYGEZZZBFR-RUZDIDTESA-N 2 1 481.733 3.920 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305950228 1068272241 /nfs/dbraw/zinc/27/22/41/1068272241.db2.gz MRQPBIFIJQWSPB-NRFANRHFSA-N 2 1 454.663 3.539 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306194846 1068585863 /nfs/dbraw/zinc/58/58/63/1068585863.db2.gz JADIGDCLZZUIFH-FGZHOGPDSA-N 2 1 454.663 3.853 20 0 JHADMP CC[C@H](Cn1c(N2CC[N@@H+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390417 1068829090 /nfs/dbraw/zinc/82/90/90/1068829090.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@H](Cn1c(N2CC[NH+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390417 1068829109 /nfs/dbraw/zinc/82/91/09/1068829109.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@H](Cn1c(N2CC[NH+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390417 1068829128 /nfs/dbraw/zinc/82/91/28/1068829128.db2.gz RVYKLPJXJGJPFV-JWQCQUIFSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306405068 1068871672 /nfs/dbraw/zinc/87/16/72/1068871672.db2.gz YEQCQTPOOIIFKT-TXTKFYIRSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001306405068 1068871681 /nfs/dbraw/zinc/87/16/81/1068871681.db2.gz YEQCQTPOOIIFKT-TXTKFYIRSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@H](C)[NH+](C)C)CC[N@H+]1CCOC ZINC001306405627 1068874523 /nfs/dbraw/zinc/87/45/23/1068874523.db2.gz FMRKZTHSXQQXFU-SVFBPWRDSA-N 2 1 474.719 3.629 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC001306434920 1068938476 /nfs/dbraw/zinc/93/84/76/1068938476.db2.gz SOHYFCUYCMLSAA-FCHUYYIVSA-N 2 1 460.711 3.536 20 0 JHADMP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CC[NH+]2CCc3sccc3C2)CC[N@H+]1CCOC ZINC001306620366 1069306588 /nfs/dbraw/zinc/30/65/88/1069306588.db2.gz YKWITXIBOPPLPV-NRFANRHFSA-N 2 1 474.719 3.633 20 0 JHADMP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCc3sccc3C2)CC[NH+]1CCOC ZINC001306620366 1069306600 /nfs/dbraw/zinc/30/66/00/1069306600.db2.gz YKWITXIBOPPLPV-NRFANRHFSA-N 2 1 474.719 3.633 20 0 JHADMP CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)CC[NH+]1CCOC ZINC001306620366 1069306614 /nfs/dbraw/zinc/30/66/14/1069306614.db2.gz YKWITXIBOPPLPV-NRFANRHFSA-N 2 1 474.719 3.633 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CC(=O)NC4(CC[NH2+]CC4)C3)n2)CC1 ZINC001164391073 718809532 /nfs/dbraw/zinc/80/95/32/718809532.db2.gz FMRKBGPNJOWGAU-UHFFFAOYSA-N 2 1 496.706 3.710 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)n2)CC1 ZINC001164401352 718853794 /nfs/dbraw/zinc/85/37/94/718853794.db2.gz BDIKOHHJFKURNK-OSPHWJPCSA-N 2 1 469.680 3.670 20 0 JHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665377 719357661 /nfs/dbraw/zinc/35/76/61/719357661.db2.gz VPAOUDUMWFEKOT-KCWPFWIISA-N 2 1 479.673 3.608 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665377 719357664 /nfs/dbraw/zinc/35/76/64/719357664.db2.gz VPAOUDUMWFEKOT-KCWPFWIISA-N 2 1 479.673 3.608 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c2ccccc21 ZINC001164680102 719677801 /nfs/dbraw/zinc/67/78/01/719677801.db2.gz CJVUPFXWIOHHDY-QFIPXVFZSA-N 2 1 476.669 3.560 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164840991 720678623 /nfs/dbraw/zinc/67/86/23/720678623.db2.gz GTXZXBPHFTYZRU-NRFANRHFSA-N 2 1 456.034 3.857 20 0 JHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755854 720881482 /nfs/dbraw/zinc/88/14/82/720881482.db2.gz ZDJNNFKSVXUJFX-HOFKKMOUSA-N 2 1 497.087 3.747 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747080 720936044 /nfs/dbraw/zinc/93/60/44/720936044.db2.gz BWCFITFRPWFGPG-WNJJXGMVSA-N 2 1 491.680 3.610 20 0 JHADMP c1nc2n(c1CN(c1ccccn1)c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CC[NH2+]CC2 ZINC001164767470 721041374 /nfs/dbraw/zinc/04/13/74/721041374.db2.gz RYWIDIAKQLEILZ-UHFFFAOYSA-N 2 1 465.605 3.715 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071652 /nfs/dbraw/zinc/07/16/52/721071652.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071657 /nfs/dbraw/zinc/07/16/57/721071657.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869454 721071663 /nfs/dbraw/zinc/07/16/63/721071663.db2.gz STYOVJIPQXFJDU-IZZNHLLZSA-N 2 1 455.606 3.515 20 0 JHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164786681 721468335 /nfs/dbraw/zinc/46/83/35/721468335.db2.gz BYCJOCIJZQFQEG-QHCPKHFHSA-N 2 1 469.626 3.986 20 0 JHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3cc(OC)c(OC)cc3c[nH+]1)CC2 ZINC001164786681 721468336 /nfs/dbraw/zinc/46/83/36/721468336.db2.gz BYCJOCIJZQFQEG-QHCPKHFHSA-N 2 1 469.626 3.986 20 0 JHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908105 721529750 /nfs/dbraw/zinc/52/97/50/721529750.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164908105 721529756 /nfs/dbraw/zinc/52/97/56/721529756.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908105 721529760 /nfs/dbraw/zinc/52/97/60/721529760.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908105 721529763 /nfs/dbraw/zinc/52/97/63/721529763.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973981 722123532 /nfs/dbraw/zinc/12/35/32/722123532.db2.gz IGSBVGAQEDPANM-RCZVLFRGSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973981 722123534 /nfs/dbraw/zinc/12/35/34/722123534.db2.gz IGSBVGAQEDPANM-RCZVLFRGSA-N 2 1 472.568 3.741 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165003494 722256477 /nfs/dbraw/zinc/25/64/77/722256477.db2.gz FGKFDPUXDFNXDR-UHFFFAOYSA-N 2 1 485.702 3.835 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)cc2)CC1 ZINC001311358296 1069342114 /nfs/dbraw/zinc/34/21/14/1069342114.db2.gz RDSJRPNZZDXBCP-QFIPXVFZSA-N 2 1 451.659 3.753 20 0 JHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311370782 1069348327 /nfs/dbraw/zinc/34/83/27/1069348327.db2.gz VHDCBGVXGTZUTJ-IZZNHLLZSA-N 2 1 455.691 3.630 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)CC2)c1 ZINC001311379982 1069354122 /nfs/dbraw/zinc/35/41/22/1069354122.db2.gz HDJBXQFRPDKJTA-SANMLTNESA-N 2 1 455.691 3.851 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306677713 1069401798 /nfs/dbraw/zinc/40/17/98/1069401798.db2.gz BGCLOXIFECBYJO-DHLKQENFSA-N 2 1 478.751 3.558 20 0 JHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497963 1069407564 /nfs/dbraw/zinc/40/75/64/1069407564.db2.gz SHFMDCKHMIXCES-PIXQIBFHSA-N 2 1 450.627 3.758 20 0 JHADMP CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001311577249 1069446878 /nfs/dbraw/zinc/44/68/78/1069446878.db2.gz SEJWNHNBOFFOBA-YTFSRNRJSA-N 2 1 456.656 3.864 20 0 JHADMP CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001311577249 1069446884 /nfs/dbraw/zinc/44/68/84/1069446884.db2.gz SEJWNHNBOFFOBA-YTFSRNRJSA-N 2 1 456.656 3.864 20 0 JHADMP CC(C)(CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC001311720965 1069519547 /nfs/dbraw/zinc/51/95/47/1069519547.db2.gz ZSSNZBYEEZHULN-UHFFFAOYSA-N 2 1 450.627 3.797 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781150 1069578884 /nfs/dbraw/zinc/57/88/84/1069578884.db2.gz HDJVNHOEDGCZQO-XWGVYQGASA-N 2 1 460.711 3.851 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001306783525 1069582442 /nfs/dbraw/zinc/58/24/42/1069582442.db2.gz JNHZRPYYVGJQRX-LEWJYISDSA-N 2 1 475.081 3.735 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001306798136 1069603697 /nfs/dbraw/zinc/60/36/97/1069603697.db2.gz NXKUYXJCIHAFKW-LEWJYISDSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001306798136 1069603703 /nfs/dbraw/zinc/60/37/03/1069603703.db2.gz NXKUYXJCIHAFKW-LEWJYISDSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001306798136 1069603705 /nfs/dbraw/zinc/60/37/05/1069603705.db2.gz NXKUYXJCIHAFKW-LEWJYISDSA-N 2 1 458.626 3.964 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169071 1069675562 /nfs/dbraw/zinc/67/55/62/1069675562.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@H]2CC[NH+](CC)C2)cc1OC ZINC001314169071 1069675564 /nfs/dbraw/zinc/67/55/64/1069675564.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@@H]2CC[NH+](CC)C2)cc1OC ZINC001314169071 1069675565 /nfs/dbraw/zinc/67/55/65/1069675565.db2.gz TWJPGTSAJBQZOW-PWRODBHTSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001314189143 1069746568 /nfs/dbraw/zinc/74/65/68/1069746568.db2.gz QMYMWCJGZHSRCN-HFZDXXHNSA-N 2 1 486.730 3.950 20 0 JHADMP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038502 1069761494 /nfs/dbraw/zinc/76/14/94/1069761494.db2.gz GHSWUMJCRUDVFY-FUPPJEDESA-N 2 1 489.108 3.800 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038502 1069761511 /nfs/dbraw/zinc/76/15/11/1069761511.db2.gz GHSWUMJCRUDVFY-FUPPJEDESA-N 2 1 489.108 3.800 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038502 1069761518 /nfs/dbraw/zinc/76/15/18/1069761518.db2.gz GHSWUMJCRUDVFY-FUPPJEDESA-N 2 1 489.108 3.800 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001307038502 1069761531 /nfs/dbraw/zinc/76/15/31/1069761531.db2.gz GHSWUMJCRUDVFY-FUPPJEDESA-N 2 1 489.108 3.800 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041048 1069768322 /nfs/dbraw/zinc/76/83/22/1069768322.db2.gz QDGAAENTTQHMAT-JOCHJYFZSA-N 2 1 473.735 3.922 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001307041048 1069768330 /nfs/dbraw/zinc/76/83/30/1069768330.db2.gz QDGAAENTTQHMAT-JOCHJYFZSA-N 2 1 473.735 3.922 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001307041048 1069768342 /nfs/dbraw/zinc/76/83/42/1069768342.db2.gz QDGAAENTTQHMAT-JOCHJYFZSA-N 2 1 473.735 3.922 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312216104 1069787514 /nfs/dbraw/zinc/78/75/14/1069787514.db2.gz CXVXVHPGIBEGQC-JWQCQUIFSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312216104 1069787527 /nfs/dbraw/zinc/78/75/27/1069787527.db2.gz CXVXVHPGIBEGQC-JWQCQUIFSA-N 2 1 456.606 3.579 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307048069 1069792696 /nfs/dbraw/zinc/79/26/96/1069792696.db2.gz LMFARFYSIIPMGQ-VWLOTQADSA-N 2 1 486.680 3.675 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307048068 1069792791 /nfs/dbraw/zinc/79/27/91/1069792791.db2.gz LMFARFYSIIPMGQ-RUZDIDTESA-N 2 1 486.680 3.675 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001307054054 1069814840 /nfs/dbraw/zinc/81/48/40/1069814840.db2.gz KLAGXKOMCHAAQU-MJGOQNOKSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001307054054 1069814865 /nfs/dbraw/zinc/81/48/65/1069814865.db2.gz KLAGXKOMCHAAQU-MJGOQNOKSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001307054054 1069814892 /nfs/dbraw/zinc/81/48/92/1069814892.db2.gz KLAGXKOMCHAAQU-MJGOQNOKSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC001312266525 1069823473 /nfs/dbraw/zinc/82/34/73/1069823473.db2.gz RWBNHJSSQFAOFP-DYESRHJHSA-N 2 1 451.453 3.785 20 0 JHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC001312266525 1069823501 /nfs/dbraw/zinc/82/35/01/1069823501.db2.gz RWBNHJSSQFAOFP-DYESRHJHSA-N 2 1 451.453 3.785 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001314219392 1069863010 /nfs/dbraw/zinc/86/30/10/1069863010.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001314219392 1069863041 /nfs/dbraw/zinc/86/30/41/1069863041.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001314219392 1069863060 /nfs/dbraw/zinc/86/30/60/1069863060.db2.gz YDYQXFCIVFITCV-XPWALMASSA-N 2 1 484.689 3.907 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1c(F)cccc1N1CCCC1 ZINC001312679260 1070078683 /nfs/dbraw/zinc/07/86/83/1070078683.db2.gz YZYYHTXOERMFLC-UHFFFAOYSA-N 2 1 459.654 3.764 20 0 JHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178743 1070283452 /nfs/dbraw/zinc/28/34/52/1070283452.db2.gz STAMMRKXASQICQ-AREMUKBSSA-N 2 1 458.691 3.985 20 0 JHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178743 1070283462 /nfs/dbraw/zinc/28/34/62/1070283462.db2.gz STAMMRKXASQICQ-AREMUKBSSA-N 2 1 458.691 3.985 20 0 JHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178743 1070283468 /nfs/dbraw/zinc/28/34/68/1070283468.db2.gz STAMMRKXASQICQ-AREMUKBSSA-N 2 1 458.691 3.985 20 0 JHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1)CC(C)C ZINC001313178743 1070283474 /nfs/dbraw/zinc/28/34/74/1070283474.db2.gz STAMMRKXASQICQ-AREMUKBSSA-N 2 1 458.691 3.985 20 0 JHADMP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313447552 1070367561 /nfs/dbraw/zinc/36/75/61/1070367561.db2.gz KTTBEKOVYNSVEC-NRFANRHFSA-N 2 1 458.651 3.516 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313447552 1070367577 /nfs/dbraw/zinc/36/75/77/1070367577.db2.gz KTTBEKOVYNSVEC-NRFANRHFSA-N 2 1 458.651 3.516 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[NH+]2CC)C[C@H]1CC ZINC001314496481 1070418090 /nfs/dbraw/zinc/41/80/90/1070418090.db2.gz RJFIDLLKZKKNJS-DHIUTWEWSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+]2CC)C[C@H]1CC ZINC001314496481 1070418094 /nfs/dbraw/zinc/41/80/94/1070418094.db2.gz RJFIDLLKZKKNJS-DHIUTWEWSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@H+]2CC)C[C@H]1CC ZINC001314496481 1070418099 /nfs/dbraw/zinc/41/80/99/1070418099.db2.gz RJFIDLLKZKKNJS-DHIUTWEWSA-N 2 1 454.663 3.675 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001309243839 1070638875 /nfs/dbraw/zinc/63/88/75/1070638875.db2.gz JWSBPPTVCIMSIJ-ROXDYWFKSA-N 2 1 455.668 3.755 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243831 1070638935 /nfs/dbraw/zinc/63/89/35/1070638935.db2.gz JWSBPPTVCIMSIJ-ASDGIDEWSA-N 2 1 455.668 3.755 20 0 JHADMP CN(CCCC[NH+](C)C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309279025 1070664633 /nfs/dbraw/zinc/66/46/33/1070664633.db2.gz MWMSYTPUWLQWMG-BJKOFHAPSA-N 2 1 464.075 3.911 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001313655962 1070847408 /nfs/dbraw/zinc/84/74/08/1070847408.db2.gz BORHSQSMYRRWMJ-CLOONOSVSA-N 2 1 492.615 3.578 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001313657688 1070856289 /nfs/dbraw/zinc/85/62/89/1070856289.db2.gz NPNAFOOYCCAIDD-BDTNDASRSA-N 2 1 471.694 3.572 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313658951 1070861161 /nfs/dbraw/zinc/86/11/61/1070861161.db2.gz VBXVNEDBCKVGIG-NJYVYQBISA-N 2 1 468.646 3.967 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313658951 1070861186 /nfs/dbraw/zinc/86/11/86/1070861186.db2.gz VBXVNEDBCKVGIG-NJYVYQBISA-N 2 1 468.646 3.967 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001313668671 1070892858 /nfs/dbraw/zinc/89/28/58/1070892858.db2.gz RKVWCLCVNZWOFV-XZOQPEGZSA-N 2 1 484.689 3.585 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCC[C@H]2CO)C1 ZINC001314748225 1070996956 /nfs/dbraw/zinc/99/69/56/1070996956.db2.gz BZONZLUCMXKEBV-ZEQRLZLVSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001314748225 1070996966 /nfs/dbraw/zinc/99/69/66/1070996966.db2.gz BZONZLUCMXKEBV-ZEQRLZLVSA-N 2 1 468.690 3.523 20 0 JHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001314748225 1070996972 /nfs/dbraw/zinc/99/69/72/1070996972.db2.gz BZONZLUCMXKEBV-ZEQRLZLVSA-N 2 1 468.690 3.523 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001313707862 1070998836 /nfs/dbraw/zinc/99/88/36/1070998836.db2.gz TWIJSECFUMKNMU-OAQYLSRUSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001313707862 1070998845 /nfs/dbraw/zinc/99/88/45/1070998845.db2.gz TWIJSECFUMKNMU-OAQYLSRUSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001313707862 1070998859 /nfs/dbraw/zinc/99/88/59/1070998859.db2.gz TWIJSECFUMKNMU-OAQYLSRUSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313715635 1071014423 /nfs/dbraw/zinc/01/44/23/1071014423.db2.gz KWSZDRKHVQOOPQ-VXKWHMMOSA-N 2 1 456.683 3.501 20 0 JHADMP CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001313721196 1071023115 /nfs/dbraw/zinc/02/31/15/1071023115.db2.gz XBXYCRUMSRBFII-BDTNDASRSA-N 2 1 489.709 3.755 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313721441 1071023888 /nfs/dbraw/zinc/02/38/88/1071023888.db2.gz BKCXXZSIDYUQFA-YADHBBJMSA-N 2 1 454.663 3.673 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001313820491 1071278264 /nfs/dbraw/zinc/27/82/64/1071278264.db2.gz WWLAGGMBSQJLRT-PLQXJYEYSA-N 2 1 481.733 3.855 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001313820489 1071278080 /nfs/dbraw/zinc/27/80/80/1071278080.db2.gz WWLAGGMBSQJLRT-DQEYMECFSA-N 2 1 481.733 3.855 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313859559 1071364798 /nfs/dbraw/zinc/36/47/98/1071364798.db2.gz KLGYJQROQIKHRS-HSALFYBXSA-N 2 1 490.096 3.511 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001313860921 1071372055 /nfs/dbraw/zinc/37/20/55/1071372055.db2.gz NFKVCRCDUFAQGQ-LLGFUMIMSA-N 2 1 475.479 3.967 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001313860449 1071370302 /nfs/dbraw/zinc/37/03/02/1071370302.db2.gz KZOGXBKBQQOQIF-ONTIZHBOSA-N 2 1 472.678 3.858 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864530 1071387229 /nfs/dbraw/zinc/38/72/29/1071387229.db2.gz YQXYDKNKIBIFDC-JYAXBFRTSA-N 2 1 458.651 3.653 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864530 1071387239 /nfs/dbraw/zinc/38/72/39/1071387239.db2.gz YQXYDKNKIBIFDC-JYAXBFRTSA-N 2 1 458.651 3.653 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C)o3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313864530 1071387247 /nfs/dbraw/zinc/38/72/47/1071387247.db2.gz YQXYDKNKIBIFDC-JYAXBFRTSA-N 2 1 458.651 3.653 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001313865168 1071390899 /nfs/dbraw/zinc/39/08/99/1071390899.db2.gz HZFQMSUESSQSNX-RTWAWAEBSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313865168 1071390913 /nfs/dbraw/zinc/39/09/13/1071390913.db2.gz HZFQMSUESSQSNX-RTWAWAEBSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001313865168 1071390926 /nfs/dbraw/zinc/39/09/26/1071390926.db2.gz HZFQMSUESSQSNX-RTWAWAEBSA-N 2 1 488.124 3.791 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001313868509 1071404505 /nfs/dbraw/zinc/40/45/05/1071404505.db2.gz NWHONMXFJQGGRO-PKTZIBPZSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313868507 1071404544 /nfs/dbraw/zinc/40/45/44/1071404544.db2.gz NWHONMXFJQGGRO-GOTSBHOMSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313869706 1071410450 /nfs/dbraw/zinc/41/04/50/1071410450.db2.gz QLJKXOZLGWTBMK-XQBPLPMBSA-N 2 1 482.629 3.777 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414149 /nfs/dbraw/zinc/41/41/49/1071414149.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414157 /nfs/dbraw/zinc/41/41/57/1071414157.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313870647 1071414164 /nfs/dbraw/zinc/41/41/64/1071414164.db2.gz VFSUCCOSJKBNMQ-IRFCIJBXSA-N 2 1 459.708 3.673 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443837 /nfs/dbraw/zinc/44/38/37/1071443837.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443840 /nfs/dbraw/zinc/44/38/40/1071443840.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313877961 1071443847 /nfs/dbraw/zinc/44/38/47/1071443847.db2.gz YAOQUWYXVRGFNI-MLNNCEHLSA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001313903129 1071514915 /nfs/dbraw/zinc/51/49/15/1071514915.db2.gz MFNOJMYDWBQNNO-FQEVSTJZSA-N 2 1 491.478 3.634 20 0 JHADMP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579893 /nfs/dbraw/zinc/57/98/93/1071579893.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579900 /nfs/dbraw/zinc/57/99/00/1071579900.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927399 1071579904 /nfs/dbraw/zinc/57/99/04/1071579904.db2.gz KIZHCOOYKXXANZ-RPWUZVMVSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929581 1071587220 /nfs/dbraw/zinc/58/72/20/1071587220.db2.gz OZEQQGQIZDCSTN-XMMPIXPASA-N 2 1 487.781 3.985 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591711 /nfs/dbraw/zinc/59/17/11/1071591711.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591715 /nfs/dbraw/zinc/59/17/15/1071591715.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001313931380 1071591720 /nfs/dbraw/zinc/59/17/20/1071591720.db2.gz YOIAOCPGVCOCBW-SLQPCKNISA-N 2 1 495.760 3.992 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313934256 1071601759 /nfs/dbraw/zinc/60/17/59/1071601759.db2.gz SUGBYZUHCQQPAH-QRWLVFNGSA-N 2 1 499.548 3.737 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313936632 1071609031 /nfs/dbraw/zinc/60/90/31/1071609031.db2.gz HDNBRPKPZSPFBL-BDTNDASRSA-N 2 1 491.725 3.653 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614148 /nfs/dbraw/zinc/61/41/48/1071614148.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614150 /nfs/dbraw/zinc/61/41/50/1071614150.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939924 1071614154 /nfs/dbraw/zinc/61/41/54/1071614154.db2.gz HVAJCPAXVPUPDC-RTWAWAEBSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC001313940330 1071615023 /nfs/dbraw/zinc/61/50/23/1071615023.db2.gz VWAPOYUKCMTORL-SIKLNZKXSA-N 2 1 455.676 3.959 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C ZINC001313941472 1071617483 /nfs/dbraw/zinc/61/74/83/1071617483.db2.gz UYMNSUXKJISSAI-DHIUTWEWSA-N 2 1 468.690 3.867 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313942563 1071620892 /nfs/dbraw/zinc/62/08/92/1071620892.db2.gz KAAGIYXPJBITBY-GOTSBHOMSA-N 2 1 454.663 3.552 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943306 1071622652 /nfs/dbraw/zinc/62/26/52/1071622652.db2.gz RKJBYSKDAGNKNV-HJOGWXRNSA-N 2 1 484.689 3.504 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313943461 1071622731 /nfs/dbraw/zinc/62/27/31/1071622731.db2.gz RYNDPMHUHANYJC-JOCHJYFZSA-N 2 1 465.646 3.990 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313943461 1071622735 /nfs/dbraw/zinc/62/27/35/1071622735.db2.gz RYNDPMHUHANYJC-JOCHJYFZSA-N 2 1 465.646 3.990 20 0 JHADMP CC[N@@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC)[C@@H](C)C1)C1CC1 ZINC001313943970 1071623761 /nfs/dbraw/zinc/62/37/61/1071623761.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 2 1 491.478 3.634 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C1CC1 ZINC001313943970 1071623765 /nfs/dbraw/zinc/62/37/65/1071623765.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 2 1 491.478 3.634 20 0 JHADMP CC[NH+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C1CC1 ZINC001313943970 1071623769 /nfs/dbraw/zinc/62/37/69/1071623769.db2.gz XTZKCTQZKOGGAP-SFHVURJKSA-N 2 1 491.478 3.634 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313945051 1071625578 /nfs/dbraw/zinc/62/55/78/1071625578.db2.gz GEXNYVOIBKBRDS-NQIIRXRSSA-N 2 1 457.022 3.949 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313946572 1071629250 /nfs/dbraw/zinc/62/92/50/1071629250.db2.gz BLRPOEJLGYFZPZ-JOCHJYFZSA-N 2 1 470.662 3.518 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631026 /nfs/dbraw/zinc/63/10/26/1071631026.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631031 /nfs/dbraw/zinc/63/10/31/1071631031.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313947203 1071631035 /nfs/dbraw/zinc/63/10/35/1071631035.db2.gz GMYDQMMDXJCSCO-FQEVSTJZSA-N 2 1 472.703 3.984 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313949766 1071637017 /nfs/dbraw/zinc/63/70/17/1071637017.db2.gz RPEXABHANOJWRD-FGZHOGPDSA-N 2 1 470.662 3.518 20 0 JHADMP CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC1([NH+](C)C)CCC1 ZINC001305986510 1068338401 /nfs/dbraw/zinc/33/84/01/1068338401.db2.gz XLUSGKUODPSSQZ-RTWAWAEBSA-N 2 1 454.663 3.823 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCSCC3)CCCCC2)CC[N@H+]1CCOC ZINC001306390175 1068827164 /nfs/dbraw/zinc/82/71/64/1068827164.db2.gz RIIRPTILYJSICJ-QFIPXVFZSA-N 2 1 492.778 3.874 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001306437210 1068941176 /nfs/dbraw/zinc/94/11/76/1068941176.db2.gz DRNWVNKQFZKDHP-DNQXCXABSA-N 2 1 460.711 3.536 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306450396 1068969673 /nfs/dbraw/zinc/96/96/73/1068969673.db2.gz MGFPQCNGYHJAJT-RPBOFIJWSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450396 1068969691 /nfs/dbraw/zinc/96/96/91/1068969691.db2.gz MGFPQCNGYHJAJT-RPBOFIJWSA-N 2 1 482.717 3.731 20 0 JHADMP CC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306450396 1068969706 /nfs/dbraw/zinc/96/97/06/1068969706.db2.gz MGFPQCNGYHJAJT-RPBOFIJWSA-N 2 1 482.717 3.731 20 0 JHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)c2)CC1 ZINC001310598067 1069042110 /nfs/dbraw/zinc/04/21/10/1069042110.db2.gz VPXCYCNKHXGMPX-DEOSSOPVSA-N 2 1 453.656 3.568 20 0 JHADMP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CSCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC001310598067 1069042120 /nfs/dbraw/zinc/04/21/20/1069042120.db2.gz VPXCYCNKHXGMPX-DEOSSOPVSA-N 2 1 453.656 3.568 20 0 JHADMP CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)CC1 ZINC001164613762 719024463 /nfs/dbraw/zinc/02/44/63/719024463.db2.gz CMEHQTSPZNDPIT-UHFFFAOYSA-N 2 1 462.638 3.884 20 0 JHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC2)CC1 ZINC001164618572 719027742 /nfs/dbraw/zinc/02/77/42/719027742.db2.gz YWVUYJQHTNPSPU-UHFFFAOYSA-N 2 1 465.573 3.863 20 0 JHADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665378 719357820 /nfs/dbraw/zinc/35/78/20/719357820.db2.gz VPAOUDUMWFEKOT-WNCULLNHSA-N 2 1 479.673 3.608 20 0 JHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665378 719357822 /nfs/dbraw/zinc/35/78/22/719357822.db2.gz VPAOUDUMWFEKOT-WNCULLNHSA-N 2 1 479.673 3.608 20 0 JHADMP COCc1nn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1C[NH2+]C2 ZINC001164710489 720079071 /nfs/dbraw/zinc/07/90/71/720079071.db2.gz IXDLOPTVMUOCFS-HNNXBMFYSA-N 2 1 452.628 3.737 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164819671 720308318 /nfs/dbraw/zinc/30/83/18/720308318.db2.gz FRXBBTNJQDLKDC-SXOMAYOGSA-N 2 1 473.665 3.551 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164819670 720308650 /nfs/dbraw/zinc/30/86/50/720308650.db2.gz FRXBBTNJQDLKDC-SVBPBHIXSA-N 2 1 473.665 3.551 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831163 720351032 /nfs/dbraw/zinc/35/10/32/720351032.db2.gz XXPIADCGGMLPBC-DSITVLBTSA-N 2 1 453.675 3.930 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164839311 720727357 /nfs/dbraw/zinc/72/73/57/720727357.db2.gz KUJUEFIPORMKIS-XMMPIXPASA-N 2 1 450.627 3.720 20 0 JHADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738368 720821282 /nfs/dbraw/zinc/82/12/82/720821282.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738368 720821283 /nfs/dbraw/zinc/82/12/83/720821283.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738368 720821285 /nfs/dbraw/zinc/82/12/85/720821285.db2.gz FBOGPNIDCPZKEB-UNCTUWKVSA-N 2 1 483.664 3.611 20 0 JHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755862 720881219 /nfs/dbraw/zinc/88/12/19/720881219.db2.gz ZDJNNFKSVXUJFX-YIXXDRMTSA-N 2 1 497.087 3.747 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)[nH+]cc21 ZINC001164746496 720907083 /nfs/dbraw/zinc/90/70/83/720907083.db2.gz AZAWDNNGSFBIEC-SKCUWOTOSA-N 2 1 489.620 3.890 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164747361 720908014 /nfs/dbraw/zinc/90/80/14/720908014.db2.gz CTBYEPYGHKFFMX-XCZPVHLTSA-N 2 1 461.654 3.828 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866728 721194589 /nfs/dbraw/zinc/19/45/89/721194589.db2.gz CHJHCRVCZHDANG-SFTDATJTSA-N 2 1 475.971 3.531 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164771469 721200005 /nfs/dbraw/zinc/20/00/05/721200005.db2.gz QFAHOUXGTOXODX-SFTDATJTSA-N 2 1 465.671 3.596 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164771469 721200025 /nfs/dbraw/zinc/20/00/25/721200025.db2.gz QFAHOUXGTOXODX-SFTDATJTSA-N 2 1 465.671 3.596 20 0 JHADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891949 721419173 /nfs/dbraw/zinc/41/91/73/721419173.db2.gz WXKPOGKULFQKIM-RBJSKKJNSA-N 2 1 459.638 3.850 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165049143 721973747 /nfs/dbraw/zinc/97/37/47/721973747.db2.gz NUOCEBSNYCLZIP-FCHUYYIVSA-N 2 1 471.690 3.725 20 0 JHADMP CC(C)(C)C(=O)Nc1ccnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001165049143 721973750 /nfs/dbraw/zinc/97/37/50/721973750.db2.gz NUOCEBSNYCLZIP-FCHUYYIVSA-N 2 1 471.690 3.725 20 0 JHADMP Cc1ccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960562 722025570 /nfs/dbraw/zinc/02/55/70/722025570.db2.gz KOBDRCGBPTZFNZ-CUBQBAPOSA-N 2 1 470.621 3.788 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[C@H]5C[NH+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974953 722109230 /nfs/dbraw/zinc/10/92/30/722109230.db2.gz JDIRNMNLTIBDSD-XTEPFMGCSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974953 722109232 /nfs/dbraw/zinc/10/92/32/722109232.db2.gz JDIRNMNLTIBDSD-XTEPFMGCSA-N 2 1 469.633 3.762 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[C@H]5C[N@@H+](Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974953 722109233 /nfs/dbraw/zinc/10/92/33/722109233.db2.gz JDIRNMNLTIBDSD-XTEPFMGCSA-N 2 1 469.633 3.762 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306622036 1069311236 /nfs/dbraw/zinc/31/12/36/1069311236.db2.gz VCHXRDOOZHYWNN-HSZRJFAPSA-N 2 1 469.678 3.542 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](C)[C@H](c3ccccc3C)[NH+](C)C)cc2)CC1 ZINC001311357596 1069341370 /nfs/dbraw/zinc/34/13/70/1069341370.db2.gz JVENAXOZTSLWSS-BKMJKUGQSA-N 2 1 451.659 3.623 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001306647879 1069359699 /nfs/dbraw/zinc/35/96/99/1069359699.db2.gz QDRNMUURCSQNMQ-QFIPXVFZSA-N 2 1 472.653 3.753 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001306647902 1069360145 /nfs/dbraw/zinc/36/01/45/1069360145.db2.gz QJBNMSDQMJGVCT-FQEVSTJZSA-N 2 1 458.626 3.506 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370157 /nfs/dbraw/zinc/37/01/57/1069370157.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370161 /nfs/dbraw/zinc/37/01/61/1069370161.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370164 /nfs/dbraw/zinc/37/01/64/1069370164.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370166 /nfs/dbraw/zinc/37/01/66/1069370166.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCN2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370171 /nfs/dbraw/zinc/37/01/71/1069370171.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370174 /nfs/dbraw/zinc/37/01/74/1069370174.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001311422346 1069370178 /nfs/dbraw/zinc/37/01/78/1069370178.db2.gz HQHSMDABYGCPRS-DGWZTRNLSA-N 2 1 455.691 3.661 20 0 JHADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440263 1069381196 /nfs/dbraw/zinc/38/11/96/1069381196.db2.gz DJSZEJGSDNUEDV-LOSJGSFVSA-N 2 1 456.675 3.675 20 0 JHADMP CCCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001306676299 1069400861 /nfs/dbraw/zinc/40/08/61/1069400861.db2.gz GXHICPZVNVNPBG-VWLOTQADSA-N 2 1 481.733 4.000 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001306680393 1069407304 /nfs/dbraw/zinc/40/73/04/1069407304.db2.gz XGFHAAJEELSJIP-LJQANCHMSA-N 2 1 456.635 3.572 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)[NH+](C)C)CC1 ZINC001306680389 1069407310 /nfs/dbraw/zinc/40/73/10/1069407310.db2.gz XGFHAAJEELSJIP-IBGZPJMESA-N 2 1 456.635 3.572 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001306680577 1069407566 /nfs/dbraw/zinc/40/75/66/1069407566.db2.gz QIPQJEYJHOYSKN-DEOSSOPVSA-N 2 1 481.689 3.944 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001306686493 1069423311 /nfs/dbraw/zinc/42/33/11/1069423311.db2.gz DCNPSJSFSWKYDV-DHIUTWEWSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001306686493 1069423322 /nfs/dbraw/zinc/42/33/22/1069423322.db2.gz DCNPSJSFSWKYDV-DHIUTWEWSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001306686493 1069423328 /nfs/dbraw/zinc/42/33/28/1069423328.db2.gz DCNPSJSFSWKYDV-DHIUTWEWSA-N 2 1 454.663 3.879 20 0 JHADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493525 /nfs/dbraw/zinc/49/35/25/1069493525.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493533 /nfs/dbraw/zinc/49/35/33/1069493533.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493536 /nfs/dbraw/zinc/49/35/36/1069493536.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493541 /nfs/dbraw/zinc/49/35/41/1069493541.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 2 1 450.627 3.713 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189344 1069747276 /nfs/dbraw/zinc/74/72/76/1069747276.db2.gz SHDJSIKSSADUMN-JOCHJYFZSA-N 2 1 454.663 3.781 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3C[C@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189344 1069747290 /nfs/dbraw/zinc/74/72/90/1069747290.db2.gz SHDJSIKSSADUMN-JOCHJYFZSA-N 2 1 454.663 3.781 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165013 1069760430 /nfs/dbraw/zinc/76/04/30/1069760430.db2.gz OCFRGVPBRSXSBS-VCWDAVCJSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165013 1069760444 /nfs/dbraw/zinc/76/04/44/1069760444.db2.gz OCFRGVPBRSXSBS-VCWDAVCJSA-N 2 1 464.654 3.876 20 0 JHADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001312165013 1069760459 /nfs/dbraw/zinc/76/04/59/1069760459.db2.gz OCFRGVPBRSXSBS-VCWDAVCJSA-N 2 1 464.654 3.876 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3OC)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001307041837 1069769998 /nfs/dbraw/zinc/76/99/98/1069769998.db2.gz VBPJOLTWSMKQJM-OAQYLSRUSA-N 2 1 454.663 3.530 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001307044491 1069777886 /nfs/dbraw/zinc/77/78/86/1069777886.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001307044491 1069777899 /nfs/dbraw/zinc/77/78/99/1069777899.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001307044491 1069777911 /nfs/dbraw/zinc/77/79/11/1069777911.db2.gz GLHYKQIDTOHHMF-NJYVYQBISA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001307048362 1069793925 /nfs/dbraw/zinc/79/39/25/1069793925.db2.gz RQVDRTWCUWPDTB-FGZHOGPDSA-N 2 1 453.679 3.695 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001307052135 1069807576 /nfs/dbraw/zinc/80/75/76/1069807576.db2.gz ZNHBUNPSEJXJQM-VWLOTQADSA-N 2 1 495.716 3.782 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307054055 1069815064 /nfs/dbraw/zinc/81/50/64/1069815064.db2.gz KLAGXKOMCHAAQU-PKOBYXMFSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001307054055 1069815078 /nfs/dbraw/zinc/81/50/78/1069815078.db2.gz KLAGXKOMCHAAQU-PKOBYXMFSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001307054055 1069815096 /nfs/dbraw/zinc/81/50/96/1069815096.db2.gz KLAGXKOMCHAAQU-PKOBYXMFSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266526 1069823585 /nfs/dbraw/zinc/82/35/85/1069823585.db2.gz RWBNHJSSQFAOFP-LAUBAEHRSA-N 2 1 451.453 3.785 20 0 JHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC001312266526 1069823613 /nfs/dbraw/zinc/82/36/13/1069823613.db2.gz RWBNHJSSQFAOFP-LAUBAEHRSA-N 2 1 451.453 3.785 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001307058623 1069840296 /nfs/dbraw/zinc/84/02/96/1069840296.db2.gz OPBQGUOXJTZTFV-QHCPKHFHSA-N 2 1 475.081 3.555 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CCOC)CC1 ZINC001307058623 1069840317 /nfs/dbraw/zinc/84/03/17/1069840317.db2.gz OPBQGUOXJTZTFV-QHCPKHFHSA-N 2 1 475.081 3.555 20 0 JHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC001307592070 1070069570 /nfs/dbraw/zinc/06/95/70/1070069570.db2.gz JKHUDUVZIINFON-NRFANRHFSA-N 2 1 452.437 3.773 20 0 JHADMP COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657053 1070106268 /nfs/dbraw/zinc/10/62/68/1070106268.db2.gz GRWIXLXPCMBOGY-RBZJZWSTSA-N 2 1 453.627 3.936 20 0 JHADMP COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657053 1070106272 /nfs/dbraw/zinc/10/62/72/1070106272.db2.gz GRWIXLXPCMBOGY-RBZJZWSTSA-N 2 1 453.627 3.936 20 0 JHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001307676493 1070118815 /nfs/dbraw/zinc/11/88/15/1070118815.db2.gz AJECYGSSRDFMCO-UHFFFAOYSA-N 2 1 454.356 3.709 20 0 JHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC001307676493 1070118822 /nfs/dbraw/zinc/11/88/22/1070118822.db2.gz AJECYGSSRDFMCO-UHFFFAOYSA-N 2 1 454.356 3.709 20 0 JHADMP COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001307724372 1070148578 /nfs/dbraw/zinc/14/85/78/1070148578.db2.gz HXXIDAPOUUZNLL-QGZVFWFLSA-N 2 1 457.537 3.865 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314396266 1070254588 /nfs/dbraw/zinc/25/45/88/1070254588.db2.gz JGQKRDNIUKUHGQ-ILBGXUMGSA-N 2 1 468.690 3.893 20 0 JHADMP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001314396266 1070254598 /nfs/dbraw/zinc/25/45/98/1070254598.db2.gz JGQKRDNIUKUHGQ-ILBGXUMGSA-N 2 1 468.690 3.893 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCC[NH+](CC(C)C)C1 ZINC001314396266 1070254613 /nfs/dbraw/zinc/25/46/13/1070254613.db2.gz JGQKRDNIUKUHGQ-ILBGXUMGSA-N 2 1 468.690 3.893 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001313451985 1070381459 /nfs/dbraw/zinc/38/14/59/1070381459.db2.gz GJCZOCIXVCXCCM-QHCPKHFHSA-N 2 1 454.663 3.530 20 0 JHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)cc1Br ZINC001308693506 1070420327 /nfs/dbraw/zinc/42/03/27/1070420327.db2.gz DBDAYHHXOSGMBX-UHFFFAOYSA-N 2 1 455.441 3.912 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314500034 1070428931 /nfs/dbraw/zinc/42/89/31/1070428931.db2.gz RROVITPYTASUEX-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314500034 1070428937 /nfs/dbraw/zinc/42/89/37/1070428937.db2.gz RROVITPYTASUEX-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314500034 1070428942 /nfs/dbraw/zinc/42/89/42/1070428942.db2.gz RROVITPYTASUEX-GMAHTHKFSA-N 2 1 460.711 3.993 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314500657 1070431566 /nfs/dbraw/zinc/43/15/66/1070431566.db2.gz XDWRJFSGYPWUSW-QHCPKHFHSA-N 2 1 489.108 3.801 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314500657 1070431573 /nfs/dbraw/zinc/43/15/73/1070431573.db2.gz XDWRJFSGYPWUSW-QHCPKHFHSA-N 2 1 489.108 3.801 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@@H]1C ZINC001309059606 1070513993 /nfs/dbraw/zinc/51/39/93/1070513993.db2.gz IDZRKFQDSCMSEM-LHYMKVENSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001309059606 1070514002 /nfs/dbraw/zinc/51/40/02/1070514002.db2.gz IDZRKFQDSCMSEM-LHYMKVENSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C ZINC001309059606 1070514012 /nfs/dbraw/zinc/51/40/12/1070514012.db2.gz IDZRKFQDSCMSEM-LHYMKVENSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@H]1C ZINC001309059608 1070514699 /nfs/dbraw/zinc/51/46/99/1070514699.db2.gz IDZRKFQDSCMSEM-YTFNCPKPSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@@H+]1CCCC[C@H]1C ZINC001309059608 1070514713 /nfs/dbraw/zinc/51/47/13/1070514713.db2.gz IDZRKFQDSCMSEM-YTFNCPKPSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@H+]1CCCC[C@H]1C ZINC001309059608 1070514724 /nfs/dbraw/zinc/51/47/24/1070514724.db2.gz IDZRKFQDSCMSEM-YTFNCPKPSA-N 2 1 473.658 3.976 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667811 1070802161 /nfs/dbraw/zinc/80/21/61/1070802161.db2.gz URADNJUUYPLEDY-UHFFFAOYSA-N 2 1 456.679 3.524 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(CC(C)(C)C)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314667811 1070802173 /nfs/dbraw/zinc/80/21/73/1070802173.db2.gz URADNJUUYPLEDY-UHFFFAOYSA-N 2 1 456.679 3.524 20 0 JHADMP C[NH+](C)CCN1CCC(Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001314671375 1070814533 /nfs/dbraw/zinc/81/45/33/1070814533.db2.gz VYZMROXJBCZWEN-UHFFFAOYSA-N 2 1 487.781 3.843 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC001313663480 1070872467 /nfs/dbraw/zinc/87/24/67/1070872467.db2.gz DEIJYXZFCHKYHA-AREMUKBSSA-N 2 1 467.706 3.664 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313666713 1070885918 /nfs/dbraw/zinc/88/59/18/1070885918.db2.gz JGKFVMFZFCNUHA-JOCHJYFZSA-N 2 1 456.679 3.941 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001313671045 1070898843 /nfs/dbraw/zinc/89/88/43/1070898843.db2.gz NLZWTQYSAKGDRT-XZOQPEGZSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+](CC)Cc1ccc(Cn2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)cc1 ZINC001313700633 1070977352 /nfs/dbraw/zinc/97/73/52/1070977352.db2.gz VNQFTPJHOUIEFU-DEOSSOPVSA-N 2 1 468.690 3.624 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313711978 1071007530 /nfs/dbraw/zinc/00/75/30/1071007530.db2.gz JTWMDFGJPXERSP-PKTZIBPZSA-N 2 1 453.679 3.552 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313715519 1071014053 /nfs/dbraw/zinc/01/40/53/1071014053.db2.gz IBSNLHMDLPRNIH-HXUWFJFHSA-N 2 1 455.676 3.960 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313727609 1071037151 /nfs/dbraw/zinc/03/71/51/1071037151.db2.gz VQZSTAKMTFKOSP-ICDZXHCJSA-N 2 1 484.737 3.961 20 0 JHADMP Cn1cc(C[N@H+]2CCCN(c3nnc(C(C)(C)C)n3CCC[NH+](C)Cc3ccccc3)CC2)cn1 ZINC001314853904 1071231999 /nfs/dbraw/zinc/23/19/99/1071231999.db2.gz GJPSTMCNBCADQN-UHFFFAOYSA-N 2 1 478.689 3.544 20 0 JHADMP Cn1cc(C[NH+]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC001314853904 1071232009 /nfs/dbraw/zinc/23/20/09/1071232009.db2.gz GJPSTMCNBCADQN-UHFFFAOYSA-N 2 1 478.689 3.544 20 0 JHADMP Cn1cc(C[NH+]2CCCN(c3nnc(C(C)(C)C)n3CCC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC001314853904 1071232023 /nfs/dbraw/zinc/23/20/23/1071232023.db2.gz GJPSTMCNBCADQN-UHFFFAOYSA-N 2 1 478.689 3.544 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC2CC2)CC1)C(C)C ZINC001313808329 1071232994 /nfs/dbraw/zinc/23/29/94/1071232994.db2.gz FINHVMQSRJYPHX-UHFFFAOYSA-N 2 1 461.054 3.869 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239608 /nfs/dbraw/zinc/23/96/08/1071239608.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 2 1 498.594 3.810 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239616 /nfs/dbraw/zinc/23/96/16/1071239616.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 2 1 498.594 3.810 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001313810100 1071239619 /nfs/dbraw/zinc/23/96/19/1071239619.db2.gz SIGWYPPQZZVNRZ-GOSISDBHSA-N 2 1 498.594 3.810 20 0 JHADMP CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001313813903 1071255910 /nfs/dbraw/zinc/25/59/10/1071255910.db2.gz HHSQSLZMPMJXNW-SFTDATJTSA-N 2 1 460.692 3.847 20 0 JHADMP CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1)C(C)C ZINC001313813903 1071255923 /nfs/dbraw/zinc/25/59/23/1071255923.db2.gz HHSQSLZMPMJXNW-SFTDATJTSA-N 2 1 460.692 3.847 20 0 JHADMP C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)Cc1ccc(F)cc1 ZINC001314864940 1071265161 /nfs/dbraw/zinc/26/51/61/1071265161.db2.gz WYKRZMSAKJLVDR-HSZRJFAPSA-N 2 1 486.680 3.686 20 0 JHADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1nnc(CC(C)(C)C)n1CC[NH+]1CCCCC1 ZINC001314892643 1071322833 /nfs/dbraw/zinc/32/28/33/1071322833.db2.gz IXPNAHZCSIUCPG-XUZZJYLKSA-N 2 1 470.710 3.605 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1C ZINC001313860920 1071372269 /nfs/dbraw/zinc/37/22/69/1071372269.db2.gz NFKVCRCDUFAQGQ-FIKGOQFSSA-N 2 1 475.479 3.967 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001313861283 1071372761 /nfs/dbraw/zinc/37/27/61/1071372761.db2.gz QCGFUZUVOKHETK-VXKWHMMOSA-N 2 1 482.677 3.501 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380084 /nfs/dbraw/zinc/38/00/84/1071380084.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380095 /nfs/dbraw/zinc/38/00/95/1071380095.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001313863213 1071380109 /nfs/dbraw/zinc/38/01/09/1071380109.db2.gz RZGFIWLPWWGWCK-ZRNYENFQSA-N 2 1 458.626 3.959 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864828 1071389051 /nfs/dbraw/zinc/38/90/51/1071389051.db2.gz CKJNCDXWPWGJGH-NEUULRRLSA-N 2 1 454.663 3.702 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313868075 1071402644 /nfs/dbraw/zinc/40/26/44/1071402644.db2.gz AIBAVMRTTNXGEJ-TYBLODHISA-N 2 1 456.704 3.534 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403260 /nfs/dbraw/zinc/40/32/60/1071403260.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403263 /nfs/dbraw/zinc/40/32/63/1071403263.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 2 1 461.658 3.705 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313868180 1071403268 /nfs/dbraw/zinc/40/32/68/1071403268.db2.gz BEFUIMVTJQBMEX-GOTSBHOMSA-N 2 1 461.658 3.705 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313868853 1071406312 /nfs/dbraw/zinc/40/63/12/1071406312.db2.gz BNEQVFSGMDGOSQ-NMMYMHLASA-N 2 1 465.621 3.625 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415046 /nfs/dbraw/zinc/41/50/46/1071415046.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415052 /nfs/dbraw/zinc/41/50/52/1071415052.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 2 1 459.708 3.673 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001313870651 1071415057 /nfs/dbraw/zinc/41/50/57/1071415057.db2.gz VFSUCCOSJKBNMQ-ZJOUEHCJSA-N 2 1 459.708 3.673 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313871119 1071415895 /nfs/dbraw/zinc/41/58/95/1071415895.db2.gz XBBKREYABZDSPE-IUKKYPGJSA-N 2 1 485.677 3.995 20 0 JHADMP CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313874604 1071429644 /nfs/dbraw/zinc/42/96/44/1071429644.db2.gz AZKCJIPZXGVDAU-RUZDIDTESA-N 2 1 495.716 3.639 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313874871 1071431496 /nfs/dbraw/zinc/43/14/96/1071431496.db2.gz QRMQLSTWYDEFHU-RBUKOAKNSA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccn3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001313877308 1071440761 /nfs/dbraw/zinc/44/07/61/1071440761.db2.gz WMTQBAWTGUAICN-LUKWVAJMSA-N 2 1 455.695 3.961 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879189 1071448428 /nfs/dbraw/zinc/44/84/28/1071448428.db2.gz YVZGTFZCYBFSEQ-VABKMULXSA-N 2 1 482.677 3.735 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460708 /nfs/dbraw/zinc/46/07/08/1071460708.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460714 /nfs/dbraw/zinc/46/07/14/1071460714.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313883116 1071460723 /nfs/dbraw/zinc/46/07/23/1071460723.db2.gz IGCMVDORTXRBKL-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313888346 1071476625 /nfs/dbraw/zinc/47/66/25/1071476625.db2.gz NPDPLMATNZHQSB-QFIPXVFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313888346 1071476633 /nfs/dbraw/zinc/47/66/33/1071476633.db2.gz NPDPLMATNZHQSB-QFIPXVFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313888346 1071476640 /nfs/dbraw/zinc/47/66/40/1071476640.db2.gz NPDPLMATNZHQSB-QFIPXVFZSA-N 2 1 456.654 3.906 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001313894616 1071493441 /nfs/dbraw/zinc/49/34/41/1071493441.db2.gz JDARQKXQYICTCV-OAQYLSRUSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001313894616 1071493452 /nfs/dbraw/zinc/49/34/52/1071493452.db2.gz JDARQKXQYICTCV-OAQYLSRUSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001313894616 1071493457 /nfs/dbraw/zinc/49/34/57/1071493457.db2.gz JDARQKXQYICTCV-OAQYLSRUSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580106 /nfs/dbraw/zinc/58/01/06/1071580106.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580118 /nfs/dbraw/zinc/58/01/18/1071580118.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927400 1071580130 /nfs/dbraw/zinc/58/01/30/1071580130.db2.gz KIZHCOOYKXXANZ-ZEQRLZLVSA-N 2 1 481.733 3.702 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001313928381 1071583838 /nfs/dbraw/zinc/58/38/38/1071583838.db2.gz BNTSAHQPHIWFRM-ISKFKSNPSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313929262 1071586756 /nfs/dbraw/zinc/58/67/56/1071586756.db2.gz FVQNHCDLCSFTDA-VQTJNVASSA-N 2 1 491.080 3.713 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313930247 1071588729 /nfs/dbraw/zinc/58/87/29/1071588729.db2.gz AOVGJRGCJZBCAU-RXVVDRJESA-N 2 1 492.510 3.697 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC001313930238 1071588898 /nfs/dbraw/zinc/58/88/98/1071588898.db2.gz AKYMXNWNPQBOPB-UWJYYQICSA-N 2 1 486.462 3.869 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591671 /nfs/dbraw/zinc/59/16/71/1071591671.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591676 /nfs/dbraw/zinc/59/16/76/1071591676.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 2 1 495.760 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001313931382 1071591682 /nfs/dbraw/zinc/59/16/82/1071591682.db2.gz YOIAOCPGVCOCBW-WEWMWRJBSA-N 2 1 495.760 3.992 20 0 JHADMP CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313931297 1071591804 /nfs/dbraw/zinc/59/18/04/1071591804.db2.gz QVXZTSGVGGJTBI-ROUUACIJSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313931297 1071591808 /nfs/dbraw/zinc/59/18/08/1071591808.db2.gz QVXZTSGVGGJTBI-ROUUACIJSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313933931 1071600404 /nfs/dbraw/zinc/60/04/04/1071600404.db2.gz PAGQKICCIBSDSR-LXWOLXCRSA-N 2 1 498.716 3.979 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934255 1071601952 /nfs/dbraw/zinc/60/19/52/1071601952.db2.gz SUGBYZUHCQQPAH-MGPUTAFESA-N 2 1 499.548 3.737 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604382 /nfs/dbraw/zinc/60/43/82/1071604382.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604383 /nfs/dbraw/zinc/60/43/83/1071604383.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 2 1 492.510 3.841 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001313934994 1071604384 /nfs/dbraw/zinc/60/43/84/1071604384.db2.gz UOVKZUMIPZPEBV-RTBURBONSA-N 2 1 492.510 3.841 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313935573 1071606032 /nfs/dbraw/zinc/60/60/32/1071606032.db2.gz IGBXYYCGUQZRPO-FQEVSTJZSA-N 2 1 470.662 3.615 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313936634 1071609062 /nfs/dbraw/zinc/60/90/62/1071609062.db2.gz HDNBRPKPZSPFBL-VSKRKVRLSA-N 2 1 491.725 3.653 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615576 /nfs/dbraw/zinc/61/55/76/1071615576.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615579 /nfs/dbraw/zinc/61/55/79/1071615579.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 2 1 459.708 3.532 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001313940855 1071615584 /nfs/dbraw/zinc/61/55/84/1071615584.db2.gz PNKOBHAVHHKWJG-FPOVZHCZSA-N 2 1 459.708 3.532 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001313947445 1071631501 /nfs/dbraw/zinc/63/15/01/1071631501.db2.gz HHLJVECSHAMBPP-BWKNWUBXSA-N 2 1 484.689 3.907 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631582 /nfs/dbraw/zinc/63/15/82/1071631582.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631590 /nfs/dbraw/zinc/63/15/90/1071631590.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 2 1 472.703 3.984 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccccc3OC)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001313947204 1071631600 /nfs/dbraw/zinc/63/16/00/1071631600.db2.gz GMYDQMMDXJCSCO-HXUWFJFHSA-N 2 1 472.703 3.984 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313948593 1071634114 /nfs/dbraw/zinc/63/41/14/1071634114.db2.gz LSLNSOHZMJXMHH-QHCPKHFHSA-N 2 1 499.773 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001313948593 1071634116 /nfs/dbraw/zinc/63/41/16/1071634116.db2.gz LSLNSOHZMJXMHH-QHCPKHFHSA-N 2 1 499.773 3.683 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313949033 1071634493 /nfs/dbraw/zinc/63/44/93/1071634493.db2.gz GSBJLZBKZNXCPU-QFIPXVFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313949033 1071634495 /nfs/dbraw/zinc/63/44/95/1071634495.db2.gz GSBJLZBKZNXCPU-QFIPXVFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313949033 1071634498 /nfs/dbraw/zinc/63/44/98/1071634498.db2.gz GSBJLZBKZNXCPU-QFIPXVFZSA-N 2 1 488.124 3.793 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001313949767 1071636943 /nfs/dbraw/zinc/63/69/43/1071636943.db2.gz RPEXABHANOJWRD-VXKWHMMOSA-N 2 1 470.662 3.518 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313950362 1071638201 /nfs/dbraw/zinc/63/82/01/1071638201.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313950362 1071638203 /nfs/dbraw/zinc/63/82/03/1071638203.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313950362 1071638205 /nfs/dbraw/zinc/63/82/05/1071638205.db2.gz VAJOILWXELSGDC-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001313951164 1071641196 /nfs/dbraw/zinc/64/11/96/1071641196.db2.gz ZEANPJHJYVSSFM-DEOSSOPVSA-N 2 1 481.733 3.776 20 0 JHADMP CCN1CC[NH+](C[C@@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951510 1071642250 /nfs/dbraw/zinc/64/22/50/1071642250.db2.gz JAHIOSFZNSZFBT-RPBOFIJWSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951510 1071642251 /nfs/dbraw/zinc/64/22/51/1071642251.db2.gz JAHIOSFZNSZFBT-RPBOFIJWSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951510 1071642254 /nfs/dbraw/zinc/64/22/54/1071642254.db2.gz JAHIOSFZNSZFBT-RPBOFIJWSA-N 2 1 495.760 3.950 20 0 JHADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001306136946 1068539726 /nfs/dbraw/zinc/53/97/26/1068539726.db2.gz SWPGOHDVEOFKQG-ZRZAMGCNSA-N 2 1 474.738 3.924 20 0 JHADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001306194848 1068586063 /nfs/dbraw/zinc/58/60/63/1068586063.db2.gz JADIGDCLZZUIFH-YADHBBJMSA-N 2 1 454.663 3.853 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306318959 1068743400 /nfs/dbraw/zinc/74/34/00/1068743400.db2.gz QGGKOMPGVALXLR-FQEVSTJZSA-N 2 1 492.510 3.841 20 0 JHADMP CC[C@@H](Cn1c(N2CC[N@@H+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC001306390419 1068828990 /nfs/dbraw/zinc/82/89/90/1068828990.db2.gz RVYKLPJXJGJPFV-RPBOFIJWSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H](Cn1c(N2CC[NH+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001306390419 1068829006 /nfs/dbraw/zinc/82/90/06/1068829006.db2.gz RVYKLPJXJGJPFV-RPBOFIJWSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H](Cn1c(N2CC[NH+](CCOC)[C@H](CC)C2)nnc1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC001306390419 1068829024 /nfs/dbraw/zinc/82/90/24/1068829024.db2.gz RVYKLPJXJGJPFV-RPBOFIJWSA-N 2 1 482.717 3.960 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306408567 1068885804 /nfs/dbraw/zinc/88/58/04/1068885804.db2.gz KUPPNRDZXXXLCQ-CEMLEFRQSA-N 2 1 490.096 3.517 20 0 JHADMP CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001306434862 1068938076 /nfs/dbraw/zinc/93/80/76/1068938076.db2.gz AWHNKXXJBFLUQS-BGWNEDDSSA-N 2 1 489.108 3.800 20 0 JHADMP CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001306443042 1068953246 /nfs/dbraw/zinc/95/32/46/1068953246.db2.gz BHTDUINISYAWLL-QFIPXVFZSA-N 2 1 474.719 3.742 20 0 JHADMP CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)n2)CC1 ZINC001164401350 718853515 /nfs/dbraw/zinc/85/35/15/718853515.db2.gz BDIKOHHJFKURNK-BXKMTCNYSA-N 2 1 469.680 3.670 20 0 JHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665379 719357491 /nfs/dbraw/zinc/35/74/91/719357491.db2.gz VPAOUDUMWFEKOT-YIXXDRMTSA-N 2 1 479.673 3.608 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164665379 719357492 /nfs/dbraw/zinc/35/74/92/719357492.db2.gz VPAOUDUMWFEKOT-YIXXDRMTSA-N 2 1 479.673 3.608 20 0 JHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842932 720535213 /nfs/dbraw/zinc/53/52/13/720535213.db2.gz ZASNPHMKPHGPTI-DPZBCOQUSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842932 720535221 /nfs/dbraw/zinc/53/52/21/720535221.db2.gz ZASNPHMKPHGPTI-DPZBCOQUSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842932 720535228 /nfs/dbraw/zinc/53/52/28/720535228.db2.gz ZASNPHMKPHGPTI-DPZBCOQUSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)CC[C@@H]21 ZINC001164842932 720535233 /nfs/dbraw/zinc/53/52/33/720535233.db2.gz ZASNPHMKPHGPTI-DPZBCOQUSA-N 2 1 471.653 3.609 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CC[NH2+]C4)c2c1C ZINC001164850555 720806211 /nfs/dbraw/zinc/80/62/11/720806211.db2.gz JIEHKVGZGOTPFZ-MRXNPFEDSA-N 2 1 493.681 3.750 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864410 720876446 /nfs/dbraw/zinc/87/64/46/720876446.db2.gz VRTFHRJLXHZVGQ-IFMALSPDSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@@H]2C1 ZINC001164864410 720876450 /nfs/dbraw/zinc/87/64/50/720876450.db2.gz VRTFHRJLXHZVGQ-IFMALSPDSA-N 2 1 499.725 3.585 20 0 JHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)c1 ZINC001164747069 720935724 /nfs/dbraw/zinc/93/57/24/720935724.db2.gz BWCFITFRPWFGPG-LITSAYRRSA-N 2 1 491.680 3.610 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872248 721144147 /nfs/dbraw/zinc/14/41/47/721144147.db2.gz HDNXAGHHCIAKCN-VXKWHMMOSA-N 2 1 478.666 3.779 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164872248 721144155 /nfs/dbraw/zinc/14/41/55/721144155.db2.gz HDNXAGHHCIAKCN-VXKWHMMOSA-N 2 1 478.666 3.779 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872250 721145015 /nfs/dbraw/zinc/14/50/15/721145015.db2.gz HDNXAGHHCIAKCN-YADHBBJMSA-N 2 1 478.666 3.779 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164872250 721145025 /nfs/dbraw/zinc/14/50/25/721145025.db2.gz HDNXAGHHCIAKCN-YADHBBJMSA-N 2 1 478.666 3.779 20 0 JHADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164891948 721419003 /nfs/dbraw/zinc/41/90/03/721419003.db2.gz WXKPOGKULFQKIM-CUBQBAPOSA-N 2 1 459.638 3.850 20 0 JHADMP CCOC(=O)c1c[nH]c2cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]cc12 ZINC001164906191 721721444 /nfs/dbraw/zinc/72/14/44/721721444.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 2 1 455.509 3.872 20 0 JHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC4(CC3)COCC[NH+](Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055056 /nfs/dbraw/zinc/05/50/56/722055056.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 2 1 484.648 3.549 20 0 JHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC4(CC3)COCC[NH+](Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055057 /nfs/dbraw/zinc/05/50/57/722055057.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 2 1 484.648 3.549 20 0 JHADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055058 /nfs/dbraw/zinc/05/50/58/722055058.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 2 1 484.648 3.549 20 0 JHADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055059 /nfs/dbraw/zinc/05/50/59/722055059.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 2 1 484.648 3.549 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC001311343284 1069330344 /nfs/dbraw/zinc/33/03/44/1069330344.db2.gz CRXFFLZPYSYRBI-DSBYRVASSA-N 2 1 450.627 3.899 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC001311343288 1069330857 /nfs/dbraw/zinc/33/08/57/1069330857.db2.gz CRXFFLZPYSYRBI-QQSVUBKYSA-N 2 1 450.627 3.899 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306635625 1069342963 /nfs/dbraw/zinc/34/29/63/1069342963.db2.gz RJHZLVMUCGNBSG-YTFSRNRJSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306635625 1069342979 /nfs/dbraw/zinc/34/29/79/1069342979.db2.gz RJHZLVMUCGNBSG-YTFSRNRJSA-N 2 1 476.710 3.577 20 0 JHADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306635625 1069342992 /nfs/dbraw/zinc/34/29/92/1069342992.db2.gz RJHZLVMUCGNBSG-YTFSRNRJSA-N 2 1 476.710 3.577 20 0 JHADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440261 1069381139 /nfs/dbraw/zinc/38/11/39/1069381139.db2.gz DJSZEJGSDNUEDV-DQEYMECFSA-N 2 1 456.675 3.675 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001311440197 1069381242 /nfs/dbraw/zinc/38/12/42/1069381242.db2.gz CGQWZTKFBZXVNB-IZZNHLLZSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001311440197 1069381244 /nfs/dbraw/zinc/38/12/44/1069381244.db2.gz CGQWZTKFBZXVNB-IZZNHLLZSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001311440197 1069381245 /nfs/dbraw/zinc/38/12/45/1069381245.db2.gz CGQWZTKFBZXVNB-IZZNHLLZSA-N 2 1 458.691 3.718 20 0 JHADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001311440262 1069381267 /nfs/dbraw/zinc/38/12/67/1069381267.db2.gz DJSZEJGSDNUEDV-JWQCQUIFSA-N 2 1 456.675 3.675 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCSCC2)CC1 ZINC001306681467 1069410725 /nfs/dbraw/zinc/41/07/25/1069410725.db2.gz ZCCBHAGOEIHZKN-UHFFFAOYSA-N 2 1 460.692 3.844 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001306680861 1069408754 /nfs/dbraw/zinc/40/87/54/1069408754.db2.gz UVSQZBAMYUBVOP-DEOSSOPVSA-N 2 1 481.689 3.944 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001306682322 1069413150 /nfs/dbraw/zinc/41/31/50/1069413150.db2.gz GTRBNWXWNJPUEQ-UHFFFAOYSA-N 2 1 461.054 3.631 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001306685762 1069421510 /nfs/dbraw/zinc/42/15/10/1069421510.db2.gz KMYSUYYKRGYNQS-XMMPIXPASA-N 2 1 454.663 3.882 20 0 JHADMP CCC(CC)[C@@H](CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC001311533937 1069427045 /nfs/dbraw/zinc/42/70/45/1069427045.db2.gz CUYSMVMTOSEOIZ-HSZRJFAPSA-N 2 1 450.071 3.662 20 0 JHADMP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccs2)CC1 ZINC001311569768 1069442161 /nfs/dbraw/zinc/44/21/61/1069442161.db2.gz GTSZLGOMXRNCDF-PKTZIBPZSA-N 2 1 456.656 3.587 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001311573218 1069444692 /nfs/dbraw/zinc/44/46/92/1069444692.db2.gz USRNLCJFZFQGKN-NFBKMPQASA-N 2 1 455.672 3.561 20 0 JHADMP CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306727077 1069471129 /nfs/dbraw/zinc/47/11/29/1069471129.db2.gz CQFXWNJZJGXSQS-HJOGWXRNSA-N 2 1 476.710 3.577 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306727077 1069471133 /nfs/dbraw/zinc/47/11/33/1069471133.db2.gz CQFXWNJZJGXSQS-HJOGWXRNSA-N 2 1 476.710 3.577 20 0 JHADMP CCCC[NH+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306727077 1069471136 /nfs/dbraw/zinc/47/11/36/1069471136.db2.gz CQFXWNJZJGXSQS-HJOGWXRNSA-N 2 1 476.710 3.577 20 0 JHADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493376 /nfs/dbraw/zinc/49/33/76/1069493376.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[NH+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493381 /nfs/dbraw/zinc/49/33/81/1069493381.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493383 /nfs/dbraw/zinc/49/33/83/1069493383.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 2 1 450.627 3.713 20 0 JHADMP C[C@@H]1C[NH+](Cc2cccc(CNC(=O)N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493385 /nfs/dbraw/zinc/49/33/85/1069493385.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 2 1 450.627 3.713 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001311767127 1069539226 /nfs/dbraw/zinc/53/92/26/1069539226.db2.gz ZKBIVHSNZVQLAF-KWXIBIRDSA-N 2 1 464.654 3.968 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[NH+](CC)C2)C1 ZINC001306780006 1069576602 /nfs/dbraw/zinc/57/66/02/1069576602.db2.gz KRPLACYGFNBDBL-MOPGFXCFSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001306780006 1069576616 /nfs/dbraw/zinc/57/66/16/1069576616.db2.gz KRPLACYGFNBDBL-MOPGFXCFSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001306780006 1069576627 /nfs/dbraw/zinc/57/66/27/1069576627.db2.gz KRPLACYGFNBDBL-MOPGFXCFSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001306786683 1069589887 /nfs/dbraw/zinc/58/98/87/1069589887.db2.gz YOFDMVWZAHFZBL-HYBUGGRVSA-N 2 1 465.621 3.950 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001306789350 1069594769 /nfs/dbraw/zinc/59/47/69/1069594769.db2.gz VZQURQJCXWXZOR-RWCIVJTCSA-N 2 1 467.706 3.943 20 0 JHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001311886391 1069597642 /nfs/dbraw/zinc/59/76/42/1069597642.db2.gz IEEJNSXOKZHVGA-LJQANCHMSA-N 2 1 451.453 3.833 20 0 JHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001311886391 1069597649 /nfs/dbraw/zinc/59/76/49/1069597649.db2.gz IEEJNSXOKZHVGA-LJQANCHMSA-N 2 1 451.453 3.833 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178186 1069713744 /nfs/dbraw/zinc/71/37/44/1069713744.db2.gz DFTIWSAKYDIZAB-NHCUHLMSSA-N 2 1 470.662 3.615 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@H](C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314178752 1069716167 /nfs/dbraw/zinc/71/61/67/1069716167.db2.gz GBIWOMIIHYHAPB-OAQYLSRUSA-N 2 1 470.662 3.759 20 0 JHADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)CC2)nc(C)[nH+]1 ZINC001312123197 1069733014 /nfs/dbraw/zinc/73/30/14/1069733014.db2.gz PMLVLBWXRIULGY-QHCPKHFHSA-N 2 1 450.631 3.662 20 0 JHADMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)CC2)nc(C)[nH+]1 ZINC001312123197 1069733025 /nfs/dbraw/zinc/73/30/25/1069733025.db2.gz PMLVLBWXRIULGY-QHCPKHFHSA-N 2 1 450.631 3.662 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044572 1069778038 /nfs/dbraw/zinc/77/80/38/1069778038.db2.gz RCVFUGTYJGULGI-VXNXHJTFSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044572 1069778054 /nfs/dbraw/zinc/77/80/54/1069778054.db2.gz RCVFUGTYJGULGI-VXNXHJTFSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC001307044572 1069778069 /nfs/dbraw/zinc/77/80/69/1069778069.db2.gz RCVFUGTYJGULGI-VXNXHJTFSA-N 2 1 473.754 3.593 20 0 JHADMP CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001307044545 1069778257 /nfs/dbraw/zinc/77/82/57/1069778257.db2.gz QLTROUFLTRVNLS-HSZRJFAPSA-N 2 1 468.690 3.800 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001307044545 1069778264 /nfs/dbraw/zinc/77/82/64/1069778264.db2.gz QLTROUFLTRVNLS-HSZRJFAPSA-N 2 1 468.690 3.800 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001307044488 1069778292 /nfs/dbraw/zinc/77/82/92/1069778292.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001307044488 1069778299 /nfs/dbraw/zinc/77/82/99/1069778299.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC001307044488 1069778308 /nfs/dbraw/zinc/77/83/08/1069778308.db2.gz GLHYKQIDTOHHMF-ACRUOGEOSA-N 2 1 458.626 3.647 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001307045731 1069783180 /nfs/dbraw/zinc/78/31/80/1069783180.db2.gz LUCVRHQCHHLAGL-QFIPXVFZSA-N 2 1 490.096 3.661 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001307047283 1069788259 /nfs/dbraw/zinc/78/82/59/1069788259.db2.gz ROIQCWXUIAGBMI-DNVJHFABSA-N 2 1 460.711 3.849 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001307047283 1069788265 /nfs/dbraw/zinc/78/82/65/1069788265.db2.gz ROIQCWXUIAGBMI-DNVJHFABSA-N 2 1 460.711 3.849 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001307047283 1069788271 /nfs/dbraw/zinc/78/82/71/1069788271.db2.gz ROIQCWXUIAGBMI-DNVJHFABSA-N 2 1 460.711 3.849 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001307048154 1069792747 /nfs/dbraw/zinc/79/27/47/1069792747.db2.gz OTTUGRMPOPIUGH-JOCHJYFZSA-N 2 1 486.680 3.820 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001307048364 1069794140 /nfs/dbraw/zinc/79/41/40/1069794140.db2.gz RQVDRTWCUWPDTB-VXKWHMMOSA-N 2 1 453.679 3.695 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001307054052 1069815487 /nfs/dbraw/zinc/81/54/87/1069815487.db2.gz KLAGXKOMCHAAQU-HKUYNNGSSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001307054052 1069815512 /nfs/dbraw/zinc/81/55/12/1069815512.db2.gz KLAGXKOMCHAAQU-HKUYNNGSSA-N 2 1 478.483 3.831 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001307054052 1069815545 /nfs/dbraw/zinc/81/55/45/1069815545.db2.gz KLAGXKOMCHAAQU-HKUYNNGSSA-N 2 1 478.483 3.831 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314225212 1069889213 /nfs/dbraw/zinc/88/92/13/1069889213.db2.gz KXVDGVIPIJENDI-QFIPXVFZSA-N 2 1 470.662 3.518 20 0 JHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001312371373 1069893446 /nfs/dbraw/zinc/89/34/46/1069893446.db2.gz YBDPSCQXAOSNKT-FGZHOGPDSA-N 2 1 461.532 3.660 20 0 JHADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001312371373 1069893465 /nfs/dbraw/zinc/89/34/65/1069893465.db2.gz YBDPSCQXAOSNKT-FGZHOGPDSA-N 2 1 461.532 3.660 20 0 JHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC001307656316 1070106361 /nfs/dbraw/zinc/10/63/61/1070106361.db2.gz DEXAZSLZQJYXOJ-QZTJIDSGSA-N 2 1 452.990 3.605 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[NH+](CC)C[C@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323432 1070108641 /nfs/dbraw/zinc/10/86/41/1070108641.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323432 1070108649 /nfs/dbraw/zinc/10/86/49/1070108649.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323432 1070108663 /nfs/dbraw/zinc/10/86/63/1070108663.db2.gz RUPZJVZINVPBLI-NHCUHLMSSA-N 2 1 454.663 3.570 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671515 1070115564 /nfs/dbraw/zinc/11/55/64/1070115564.db2.gz XJTZWTSZMMMZHP-RZQQEMMASA-N 2 1 452.521 3.535 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671515 1070115567 /nfs/dbraw/zinc/11/55/67/1070115567.db2.gz XJTZWTSZMMMZHP-RZQQEMMASA-N 2 1 452.521 3.535 20 0 JHADMP CC(C)[C@H](CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+]1CCCC1 ZINC001312854345 1070157003 /nfs/dbraw/zinc/15/70/03/1070157003.db2.gz GYDXMIDFDLQLCI-NRFANRHFSA-N 2 1 451.453 3.833 20 0 JHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC001307743298 1070162212 /nfs/dbraw/zinc/16/22/12/1070162212.db2.gz DLOOOJFKKVALAY-UHFFFAOYSA-N 2 1 454.590 3.587 20 0 JHADMP CCOCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001314378218 1070221037 /nfs/dbraw/zinc/22/10/37/1070221037.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 2 1 472.653 3.786 20 0 JHADMP CCOCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001314378218 1070221049 /nfs/dbraw/zinc/22/10/49/1070221049.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 2 1 472.653 3.786 20 0 JHADMP CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001314378218 1070221062 /nfs/dbraw/zinc/22/10/62/1070221062.db2.gz JRPBKUANTOOWOB-HSZRJFAPSA-N 2 1 472.653 3.786 20 0 JHADMP CCOCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314389874 1070242636 /nfs/dbraw/zinc/24/26/36/1070242636.db2.gz FCXBGLLRUVLZAX-NSQNTRMNSA-N 2 1 460.711 3.883 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314396267 1070254959 /nfs/dbraw/zinc/25/49/59/1070254959.db2.gz JGQKRDNIUKUHGQ-NOZRDPDXSA-N 2 1 468.690 3.893 20 0 JHADMP CCOCc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001314396267 1070254970 /nfs/dbraw/zinc/25/49/70/1070254970.db2.gz JGQKRDNIUKUHGQ-NOZRDPDXSA-N 2 1 468.690 3.893 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCC[NH+](CC(C)C)C1 ZINC001314396267 1070254983 /nfs/dbraw/zinc/25/49/83/1070254983.db2.gz JGQKRDNIUKUHGQ-NOZRDPDXSA-N 2 1 468.690 3.893 20 0 JHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955094 1070257268 /nfs/dbraw/zinc/25/72/68/1070257268.db2.gz QXAUEWPNEVVUGM-VWLOTQADSA-N 2 1 452.643 3.643 20 0 JHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955094 1070257287 /nfs/dbraw/zinc/25/72/87/1070257287.db2.gz QXAUEWPNEVVUGM-VWLOTQADSA-N 2 1 452.643 3.643 20 0 JHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955094 1070257300 /nfs/dbraw/zinc/25/73/00/1070257300.db2.gz QXAUEWPNEVVUGM-VWLOTQADSA-N 2 1 452.643 3.643 20 0 JHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)ccn1 ZINC001307955094 1070257315 /nfs/dbraw/zinc/25/73/15/1070257315.db2.gz QXAUEWPNEVVUGM-VWLOTQADSA-N 2 1 452.643 3.643 20 0 JHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC001313340169 1070331515 /nfs/dbraw/zinc/33/15/15/1070331515.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001313340169 1070331533 /nfs/dbraw/zinc/33/15/33/1070331533.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 2 1 456.675 3.614 20 0 JHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001313340169 1070331553 /nfs/dbraw/zinc/33/15/53/1070331553.db2.gz BJIIOSKEGIACEH-UIOOFZCWSA-N 2 1 456.675 3.614 20 0 JHADMP O=S(=O)(c1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1)C(F)(F)F ZINC001308334151 1070358660 /nfs/dbraw/zinc/35/86/60/1070358660.db2.gz UOPIQIPWJOGEHW-UHFFFAOYSA-N 2 1 456.530 3.656 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313446661 1070363060 /nfs/dbraw/zinc/36/30/60/1070363060.db2.gz DPYZUBMCCMGYTM-HBMCJLEFSA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313446661 1070363078 /nfs/dbraw/zinc/36/30/78/1070363078.db2.gz DPYZUBMCCMGYTM-HBMCJLEFSA-N 2 1 458.626 3.962 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313446661 1070363093 /nfs/dbraw/zinc/36/30/93/1070363093.db2.gz DPYZUBMCCMGYTM-HBMCJLEFSA-N 2 1 458.626 3.962 20 0 JHADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c(-c2ccnn2C)c1 ZINC001308601825 1070399512 /nfs/dbraw/zinc/39/95/12/1070399512.db2.gz WTMIUALKDKUDDW-UHFFFAOYSA-N 2 1 459.638 3.856 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[NH+]2CC)C[C@@H]1CC ZINC001314496487 1070417871 /nfs/dbraw/zinc/41/78/71/1070417871.db2.gz RJFIDLLKZKKNJS-XZOQPEGZSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+]2CC)C[C@@H]1CC ZINC001314496487 1070417874 /nfs/dbraw/zinc/41/78/74/1070417874.db2.gz RJFIDLLKZKKNJS-XZOQPEGZSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@H+]2CC)C[C@@H]1CC ZINC001314496487 1070417876 /nfs/dbraw/zinc/41/78/76/1070417876.db2.gz RJFIDLLKZKKNJS-XZOQPEGZSA-N 2 1 454.663 3.675 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[NH+]1CCCC[C@@H]1C ZINC001309059605 1070513883 /nfs/dbraw/zinc/51/38/83/1070513883.db2.gz IDZRKFQDSCMSEM-KZHJIPFUSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001309059605 1070513891 /nfs/dbraw/zinc/51/38/91/1070513891.db2.gz IDZRKFQDSCMSEM-KZHJIPFUSA-N 2 1 473.658 3.976 20 0 JHADMP C[C@@H](CNS(=O)(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1)[N@H+]1CCCC[C@@H]1C ZINC001309059605 1070513897 /nfs/dbraw/zinc/51/38/97/1070513897.db2.gz IDZRKFQDSCMSEM-KZHJIPFUSA-N 2 1 473.658 3.976 20 0 JHADMP Cc1[nH+]ccn1CCCCNS(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218081 1070616698 /nfs/dbraw/zinc/61/66/98/1070616698.db2.gz IEFZFYHKOPASHF-LOSJGSFVSA-N 2 1 470.614 3.698 20 0 JHADMP Cc1[nH+]ccn1CCCCNS(=O)(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218081 1070616701 /nfs/dbraw/zinc/61/67/01/1070616701.db2.gz IEFZFYHKOPASHF-LOSJGSFVSA-N 2 1 470.614 3.698 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC001313574234 1070689181 /nfs/dbraw/zinc/68/91/81/1070689181.db2.gz YKBPOAJIBVEAAO-ZEQRLZLVSA-N 2 1 481.733 3.896 20 0 JHADMP C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC001314654870 1070770913 /nfs/dbraw/zinc/77/09/13/1070770913.db2.gz ILAQRHSRIRMKCE-XZOQPEGZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC001313665777 1070880972 /nfs/dbraw/zinc/88/09/72/1070880972.db2.gz UJMGCEVEQCZJMO-VWNXMTODSA-N 2 1 454.663 3.643 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001313665841 1070881802 /nfs/dbraw/zinc/88/18/02/1070881802.db2.gz SDSCTXIEVCFBOA-QPPBQGQZSA-N 2 1 470.662 3.581 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313666739 1070885403 /nfs/dbraw/zinc/88/54/03/1070885403.db2.gz IUESOUXTRJWYNE-SFTDATJTSA-N 2 1 489.108 3.942 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001313667211 1070887857 /nfs/dbraw/zinc/88/78/57/1070887857.db2.gz KETGBSBFTPNYSB-HSZRJFAPSA-N 2 1 499.723 3.733 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313667417 1070889041 /nfs/dbraw/zinc/88/90/41/1070889041.db2.gz XYBJBSHRBIQDGH-NJYVYQBISA-N 2 1 460.692 3.847 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313669839 1070895556 /nfs/dbraw/zinc/89/55/56/1070895556.db2.gz DQUMOUCDAFRJJQ-QHAWAJNXSA-N 2 1 451.663 3.999 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001313693004 1070953451 /nfs/dbraw/zinc/95/34/51/1070953451.db2.gz FZSMDFYCLSTIPT-XMMPIXPASA-N 2 1 482.717 3.989 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001313694203 1070956711 /nfs/dbraw/zinc/95/67/11/1070956711.db2.gz QZSVMDTWQGYDKA-QFIPXVFZSA-N 2 1 453.679 3.839 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCC[NH+](CC)CC)C2)CC1 ZINC001313712671 1071009594 /nfs/dbraw/zinc/00/95/94/1071009594.db2.gz RIEUENMRYGDDRI-OAQYLSRUSA-N 2 1 492.087 3.686 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001313721090 1071022442 /nfs/dbraw/zinc/02/24/42/1071022442.db2.gz DQGRRZYJYMZQMI-KOSHJBKYSA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858901 1071360329 /nfs/dbraw/zinc/36/03/29/1071360329.db2.gz CKMLAXMGZQIIQW-PCCBWWKXSA-N 2 1 458.626 3.962 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362531 /nfs/dbraw/zinc/36/25/31/1071362531.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362544 /nfs/dbraw/zinc/36/25/44/1071362544.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC001313859156 1071362559 /nfs/dbraw/zinc/36/25/59/1071362559.db2.gz DYDLSGZBKVTIQQ-SXWKCWPCSA-N 2 1 475.081 3.754 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368625 /nfs/dbraw/zinc/36/86/25/1071368625.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368642 /nfs/dbraw/zinc/36/86/42/1071368642.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001313860247 1071368663 /nfs/dbraw/zinc/36/86/63/1071368663.db2.gz NBFLVXHJUXSLQB-FCHUYYIVSA-N 2 1 481.689 3.941 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313860412 1071369156 /nfs/dbraw/zinc/36/91/56/1071369156.db2.gz KLOQBJMFFYMBKL-HKBOAZHASA-N 2 1 464.662 3.984 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313863676 1071382130 /nfs/dbraw/zinc/38/21/30/1071382130.db2.gz WJWFYYOWEQSYGP-SFTDATJTSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313863676 1071382146 /nfs/dbraw/zinc/38/21/46/1071382146.db2.gz WJWFYYOWEQSYGP-SFTDATJTSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC001310462464 1071405086 /nfs/dbraw/zinc/40/50/86/1071405086.db2.gz QMEGOMZXBZFBAT-FQEVSTJZSA-N 2 1 452.525 3.771 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001313873227 1071424839 /nfs/dbraw/zinc/42/48/39/1071424839.db2.gz KIAQLTWJTKFHJP-ODAXIHTASA-N 2 1 467.706 3.939 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425767 /nfs/dbraw/zinc/42/57/67/1071425767.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425770 /nfs/dbraw/zinc/42/57/70/1071425770.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3F)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001313873619 1071425774 /nfs/dbraw/zinc/42/57/74/1071425774.db2.gz MOFQCGGIJNJFSI-HKBOAZHASA-N 2 1 458.626 3.504 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC001313879191 1071448481 /nfs/dbraw/zinc/44/84/81/1071448481.db2.gz YVZGTFZCYBFSEQ-XPWALMASSA-N 2 1 482.677 3.735 20 0 JHADMP CC[NH+]1CCC(CCn2c(Cc3ccccc3OC)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313882869 1071459869 /nfs/dbraw/zinc/45/98/69/1071459869.db2.gz NRWYYYBOKZNFKZ-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001313886305 1071469755 /nfs/dbraw/zinc/46/97/55/1071469755.db2.gz RKIRXANBWLSVJD-FNAHDJPLSA-N 2 1 492.778 3.943 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001313886352 1071470754 /nfs/dbraw/zinc/47/07/54/1071470754.db2.gz SDDBZHKJBWINMZ-YADHBBJMSA-N 2 1 470.662 3.517 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001313890144 1071482302 /nfs/dbraw/zinc/48/23/02/1071482302.db2.gz MIXQFFPZKNQXNV-ROUUACIJSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001313890144 1071482310 /nfs/dbraw/zinc/48/23/10/1071482310.db2.gz MIXQFFPZKNQXNV-ROUUACIJSA-N 2 1 491.478 3.588 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001313890144 1071482316 /nfs/dbraw/zinc/48/23/16/1071482316.db2.gz MIXQFFPZKNQXNV-ROUUACIJSA-N 2 1 491.478 3.588 20 0 JHADMP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895293 1071496409 /nfs/dbraw/zinc/49/64/09/1071496409.db2.gz ZPIBMGUXVPLBMR-ADYITMSISA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895293 1071496413 /nfs/dbraw/zinc/49/64/13/1071496413.db2.gz ZPIBMGUXVPLBMR-ADYITMSISA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895293 1071496417 /nfs/dbraw/zinc/49/64/17/1071496417.db2.gz ZPIBMGUXVPLBMR-ADYITMSISA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895293 1071496422 /nfs/dbraw/zinc/49/64/22/1071496422.db2.gz ZPIBMGUXVPLBMR-ADYITMSISA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@@H+]1CC[C@@H](Cn2c(N3CC[NH+](Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896044 1071498628 /nfs/dbraw/zinc/49/86/28/1071498628.db2.gz CIFWTOQTPZDRBW-OAQYLSRUSA-N 2 1 454.663 3.557 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c(N3CC[NH+](Cc4cc(C)ccc4OC)CC3)nnc2C(C)(C)C)C1 ZINC001313896044 1071498630 /nfs/dbraw/zinc/49/86/30/1071498630.db2.gz CIFWTOQTPZDRBW-OAQYLSRUSA-N 2 1 454.663 3.557 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001313897134 1071501111 /nfs/dbraw/zinc/50/11/11/1071501111.db2.gz UHGWXRUMYOFPJZ-IEBWSBKVSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001313897134 1071501123 /nfs/dbraw/zinc/50/11/23/1071501123.db2.gz UHGWXRUMYOFPJZ-IEBWSBKVSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001313897134 1071501133 /nfs/dbraw/zinc/50/11/33/1071501133.db2.gz UHGWXRUMYOFPJZ-IEBWSBKVSA-N 2 1 481.472 3.893 20 0 JHADMP CC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313898293 1071504864 /nfs/dbraw/zinc/50/48/64/1071504864.db2.gz PSEQEWAOWUJGIR-RTWAWAEBSA-N 2 1 489.709 3.612 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001313933214 1071597117 /nfs/dbraw/zinc/59/71/17/1071597117.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313933214 1071597127 /nfs/dbraw/zinc/59/71/27/1071597127.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313933214 1071597133 /nfs/dbraw/zinc/59/71/33/1071597133.db2.gz NUGZIRXOFRHRFV-QZTJIDSGSA-N 2 1 491.478 3.731 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609517 /nfs/dbraw/zinc/60/95/17/1071609517.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609522 /nfs/dbraw/zinc/60/95/22/1071609522.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313936865 1071609524 /nfs/dbraw/zinc/60/95/24/1071609524.db2.gz QONDBTSOOQEMMM-RTWAWAEBSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC001313936851 1071609773 /nfs/dbraw/zinc/60/97/73/1071609773.db2.gz QMFLJHGNEUPGKH-HXUWFJFHSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313942377 1071620223 /nfs/dbraw/zinc/62/02/23/1071620223.db2.gz IFAUDUCJDMJYMJ-GOTSBHOMSA-N 2 1 478.689 3.800 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071628991 /nfs/dbraw/zinc/62/89/91/1071628991.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071628996 /nfs/dbraw/zinc/62/89/96/1071628996.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 2 1 454.663 3.528 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H]1C ZINC001313946649 1071629001 /nfs/dbraw/zinc/62/90/01/1071629001.db2.gz SOQMCTNGEUQEKX-NZQKXSOJSA-N 2 1 454.663 3.528 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313946875 1071630555 /nfs/dbraw/zinc/63/05/55/1071630555.db2.gz DQHAPBLQHZYMNZ-VSKRKVRLSA-N 2 1 489.709 3.612 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC001313951089 1071640445 /nfs/dbraw/zinc/64/04/45/1071640445.db2.gz FEOLCRMTYKSPIR-VWLOTQADSA-N 2 1 473.754 3.912 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951509 1071642264 /nfs/dbraw/zinc/64/22/64/1071642264.db2.gz JAHIOSFZNSZFBT-LOSJGSFVSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951509 1071642265 /nfs/dbraw/zinc/64/22/65/1071642265.db2.gz JAHIOSFZNSZFBT-LOSJGSFVSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951509 1071642269 /nfs/dbraw/zinc/64/22/69/1071642269.db2.gz JAHIOSFZNSZFBT-LOSJGSFVSA-N 2 1 495.760 3.950 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127101 1072036960 /nfs/dbraw/zinc/03/69/60/1072036960.db2.gz UZVPLJDIBWGDKD-AMGIVPHBSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127101 1072036965 /nfs/dbraw/zinc/03/69/65/1072036965.db2.gz UZVPLJDIBWGDKD-AMGIVPHBSA-N 2 1 490.737 3.751 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CC(C)(C)[NH+]2CCC[C@@H](C)C2)CCOC1 ZINC001314127101 1072036973 /nfs/dbraw/zinc/03/69/73/1072036973.db2.gz UZVPLJDIBWGDKD-AMGIVPHBSA-N 2 1 490.737 3.751 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001305985540 1068335277 /nfs/dbraw/zinc/33/52/77/1068335277.db2.gz PIKKCFFVGXVQOT-OAQYLSRUSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1nnc(N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001306136277 1068538834 /nfs/dbraw/zinc/53/88/34/1068538834.db2.gz KDYXVBGVTRAHDD-SZPZYZBQSA-N 2 1 460.711 3.821 20 0 JHADMP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+](C)C1CCCCC1 ZINC001306136277 1068538842 /nfs/dbraw/zinc/53/88/42/1068538842.db2.gz KDYXVBGVTRAHDD-SZPZYZBQSA-N 2 1 460.711 3.821 20 0 JHADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC[NH+](C)C1CCCCC1 ZINC001306136277 1068538854 /nfs/dbraw/zinc/53/88/54/1068538854.db2.gz KDYXVBGVTRAHDD-SZPZYZBQSA-N 2 1 460.711 3.821 20 0 JHADMP CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306135723 1068539075 /nfs/dbraw/zinc/53/90/75/1068539075.db2.gz DIRDPFARCCBMSF-SZPZYZBQSA-N 2 1 460.711 3.821 20 0 JHADMP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001306208691 1068599820 /nfs/dbraw/zinc/59/98/20/1068599820.db2.gz FHJZVCWXAOXCAL-VWLOTQADSA-N 2 1 468.690 3.690 20 0 JHADMP CCc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001306208691 1068599831 /nfs/dbraw/zinc/59/98/31/1068599831.db2.gz FHJZVCWXAOXCAL-VWLOTQADSA-N 2 1 468.690 3.690 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306317683 1068739174 /nfs/dbraw/zinc/73/91/74/1068739174.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001306317683 1068739183 /nfs/dbraw/zinc/73/91/83/1068739183.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001306317683 1068739190 /nfs/dbraw/zinc/73/91/90/1068739190.db2.gz BNYARSILBKAYMR-VXKWHMMOSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001306398399 1068850602 /nfs/dbraw/zinc/85/06/02/1068850602.db2.gz AFDQRSIFHZCYPW-QHCPKHFHSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306398399 1068850615 /nfs/dbraw/zinc/85/06/15/1068850615.db2.gz AFDQRSIFHZCYPW-QHCPKHFHSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001306398399 1068850627 /nfs/dbraw/zinc/85/06/27/1068850627.db2.gz AFDQRSIFHZCYPW-QHCPKHFHSA-N 2 1 484.689 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[NH+](CC(C)C)C2)CC[N@H+]1CCOC ZINC001306406526 1068877113 /nfs/dbraw/zinc/87/71/13/1068877113.db2.gz YZEURNCDEOYRIT-DHIUTWEWSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406526 1068877118 /nfs/dbraw/zinc/87/71/18/1068877118.db2.gz YZEURNCDEOYRIT-DHIUTWEWSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406526 1068877124 /nfs/dbraw/zinc/87/71/24/1068877124.db2.gz YZEURNCDEOYRIT-DHIUTWEWSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001306418845 1068910723 /nfs/dbraw/zinc/91/07/23/1068910723.db2.gz JYRIEOQLEOTNKE-QFIPXVFZSA-N 2 1 472.653 3.753 20 0 JHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC001306434749 1068937923 /nfs/dbraw/zinc/93/79/23/1068937923.db2.gz GYUPEILZKHBRPA-XMMPIXPASA-N 2 1 459.034 3.716 20 0 JHADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001164620802 719017228 /nfs/dbraw/zinc/01/72/28/719017228.db2.gz ZMMDEKYODVNVLV-KVPLUYHFSA-N 2 1 483.682 3.532 20 0 JHADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643614 719228584 /nfs/dbraw/zinc/22/85/84/719228584.db2.gz ZPIZVBDQRPLMTG-ZWKOTPCHSA-N 2 1 455.002 3.926 20 0 JHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001164643614 719228588 /nfs/dbraw/zinc/22/85/88/719228588.db2.gz ZPIZVBDQRPLMTG-ZWKOTPCHSA-N 2 1 455.002 3.926 20 0 JHADMP Fc1cccnc1N(c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001164692080 719760253 /nfs/dbraw/zinc/76/02/53/719760253.db2.gz RLASTIORAWEUCC-WXVAWEFUSA-N 2 1 459.569 3.833 20 0 JHADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164735187 720524790 /nfs/dbraw/zinc/52/47/90/720524790.db2.gz VWAKUTQMZRJACJ-SFHVURJKSA-N 2 1 465.671 3.560 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747600 720856759 /nfs/dbraw/zinc/85/67/59/720856759.db2.gz IEGIRMIFXQQJQI-VEYUFSJPSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747600 720856761 /nfs/dbraw/zinc/85/67/61/720856761.db2.gz IEGIRMIFXQQJQI-VEYUFSJPSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164747600 720856764 /nfs/dbraw/zinc/85/67/64/720856764.db2.gz IEGIRMIFXQQJQI-VEYUFSJPSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1 ZINC001164747601 720856996 /nfs/dbraw/zinc/85/69/96/720856996.db2.gz IEGIRMIFXQQJQI-XDZVQPMWSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1 ZINC001164747601 720856999 /nfs/dbraw/zinc/85/69/99/720856999.db2.gz IEGIRMIFXQQJQI-XDZVQPMWSA-N 2 1 463.674 3.990 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164747601 720857001 /nfs/dbraw/zinc/85/70/01/720857001.db2.gz IEGIRMIFXQQJQI-XDZVQPMWSA-N 2 1 463.674 3.990 20 0 JHADMP Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cc(N2CCCC2)[nH+]1 ZINC001164747239 720874032 /nfs/dbraw/zinc/87/40/32/720874032.db2.gz AUJVEJLJZXRVES-SQHAQQRYSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164747239 720874034 /nfs/dbraw/zinc/87/40/34/720874034.db2.gz AUJVEJLJZXRVES-SQHAQQRYSA-N 2 1 462.642 3.535 20 0 JHADMP Cc1nc(N2CCCC2)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]1 ZINC001164747239 720874041 /nfs/dbraw/zinc/87/40/41/720874041.db2.gz AUJVEJLJZXRVES-SQHAQQRYSA-N 2 1 462.642 3.535 20 0 JHADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753131 720931335 /nfs/dbraw/zinc/93/13/35/720931335.db2.gz QHSRBAVRUNYXSD-ABYGYWHVSA-N 2 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753131 720931347 /nfs/dbraw/zinc/93/13/47/720931347.db2.gz QHSRBAVRUNYXSD-ABYGYWHVSA-N 3 1 491.680 3.705 20 0 JHADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2)CC1 ZINC001164753131 720931358 /nfs/dbraw/zinc/93/13/58/720931358.db2.gz QHSRBAVRUNYXSD-ABYGYWHVSA-N 3 1 491.680 3.705 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908102 721529678 /nfs/dbraw/zinc/52/96/78/721529678.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164908102 721529682 /nfs/dbraw/zinc/52/96/82/721529682.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908102 721529687 /nfs/dbraw/zinc/52/96/87/721529687.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908102 721529691 /nfs/dbraw/zinc/52/96/91/721529691.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979847 722124651 /nfs/dbraw/zinc/12/46/51/722124651.db2.gz QMEACMGEJUHGJZ-RCZVLFRGSA-N 2 1 472.568 3.741 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979847 722124654 /nfs/dbraw/zinc/12/46/54/722124654.db2.gz QMEACMGEJUHGJZ-RCZVLFRGSA-N 2 1 472.568 3.741 20 0 JHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311370784 1069348281 /nfs/dbraw/zinc/34/82/81/1069348281.db2.gz VHDCBGVXGTZUTJ-UIOOFZCWSA-N 2 1 455.691 3.630 20 0 JHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC001311497909 1069407082 /nfs/dbraw/zinc/40/70/82/1069407082.db2.gz SGCQHZLBVWKYPC-HFZDXXHNSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001311497909 1069407086 /nfs/dbraw/zinc/40/70/86/1069407086.db2.gz SGCQHZLBVWKYPC-HFZDXXHNSA-N 2 1 450.627 3.627 20 0 JHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001311497909 1069407094 /nfs/dbraw/zinc/40/70/94/1069407094.db2.gz SGCQHZLBVWKYPC-HFZDXXHNSA-N 2 1 450.627 3.627 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306722395 1069460608 /nfs/dbraw/zinc/46/06/08/1069460608.db2.gz KQDZVIWZBAYEMG-JOCHJYFZSA-N 2 1 496.704 3.891 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306722395 1069460611 /nfs/dbraw/zinc/46/06/11/1069460611.db2.gz KQDZVIWZBAYEMG-JOCHJYFZSA-N 2 1 496.704 3.891 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306722395 1069460618 /nfs/dbraw/zinc/46/06/18/1069460618.db2.gz KQDZVIWZBAYEMG-JOCHJYFZSA-N 2 1 496.704 3.891 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)cc1 ZINC001311758454 1069534889 /nfs/dbraw/zinc/53/48/89/1069534889.db2.gz LWYMRGDDRPUWFK-HFZDXXHNSA-N 2 1 450.627 3.727 20 0 JHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC001311821921 1069560883 /nfs/dbraw/zinc/56/08/83/1069560883.db2.gz GVAQWXBLCHABPJ-HOKHCIIBSA-N 2 1 467.633 3.673 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001306783527 1069582410 /nfs/dbraw/zinc/58/24/10/1069582410.db2.gz JNHZRPYYVGJQRX-NHCUHLMSSA-N 2 1 475.081 3.735 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786993 1069590407 /nfs/dbraw/zinc/59/04/07/1069590407.db2.gz ZFFYQYJQEWMGGB-NOZRDPDXSA-N 2 1 468.690 3.778 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCCCCC2)C1 ZINC001306789444 1069595348 /nfs/dbraw/zinc/59/53/48/1069595348.db2.gz PZAIVABWHMMYPQ-OAQYLSRUSA-N 2 1 459.708 3.678 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001306798138 1069603605 /nfs/dbraw/zinc/60/36/05/1069603605.db2.gz NXKUYXJCIHAFKW-RTWAWAEBSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001306798138 1069603610 /nfs/dbraw/zinc/60/36/10/1069603610.db2.gz NXKUYXJCIHAFKW-RTWAWAEBSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001306798138 1069603619 /nfs/dbraw/zinc/60/36/19/1069603619.db2.gz NXKUYXJCIHAFKW-RTWAWAEBSA-N 2 1 458.626 3.964 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001306802755 1069610236 /nfs/dbraw/zinc/61/02/36/1069610236.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 2 1 474.097 3.547 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306802755 1069610246 /nfs/dbraw/zinc/61/02/46/1069610246.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 2 1 474.097 3.547 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001306802755 1069610257 /nfs/dbraw/zinc/61/02/57/1069610257.db2.gz PVCJCCCRDAXRBS-QHCPKHFHSA-N 2 1 474.097 3.547 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCCC[N@H+]2CC)cc1OC ZINC001314177442 1069711290 /nfs/dbraw/zinc/71/12/90/1069711290.db2.gz RVAIYBZWAGKLDN-JOCHJYFZSA-N 2 1 470.662 3.757 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1OC ZINC001314178188 1069713616 /nfs/dbraw/zinc/71/36/16/1069713616.db2.gz DFTIWSAKYDIZAB-RTWAWAEBSA-N 2 1 470.662 3.615 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@@H]3CCC[N@@H+]3CC)CC2)cc1 ZINC001314189284 1069747486 /nfs/dbraw/zinc/74/74/86/1069747486.db2.gz RJVWDZRDBQOGFE-GMAHTHKFSA-N 2 1 454.663 3.997 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc([C@@H](C)CC)n3C[C@@H]3CCC[N@H+]3CC)CC2)cc1 ZINC001314189284 1069747502 /nfs/dbraw/zinc/74/75/02/1069747502.db2.gz RJVWDZRDBQOGFE-GMAHTHKFSA-N 2 1 454.663 3.997 20 0 JHADMP CCC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307042080 1069770814 /nfs/dbraw/zinc/77/08/14/1069770814.db2.gz XRALKRXCHWEMRA-SZPZYZBQSA-N 2 1 486.680 3.675 20 0 JHADMP CCC[NH+]1CCC(Cn2c(Cc3ccccc3F)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001307042080 1069770824 /nfs/dbraw/zinc/77/08/24/1069770824.db2.gz XRALKRXCHWEMRA-SZPZYZBQSA-N 2 1 486.680 3.675 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001307050927 1069802427 /nfs/dbraw/zinc/80/24/27/1069802427.db2.gz BQYPEGUXZNYLCY-SZPZYZBQSA-N 2 1 470.710 3.747 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001307057455 1069834474 /nfs/dbraw/zinc/83/44/74/1069834474.db2.gz FWXBJPNBUNASKE-OAQYLSRUSA-N 2 1 459.708 3.819 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001307058916 1069841938 /nfs/dbraw/zinc/84/19/38/1069841938.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001307058916 1069841962 /nfs/dbraw/zinc/84/19/62/1069841962.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 2 1 459.708 3.817 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001307058916 1069841986 /nfs/dbraw/zinc/84/19/86/1069841986.db2.gz OPXYJSPTPLMGRZ-WOIUINJBSA-N 2 1 459.708 3.817 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001314225211 1069889064 /nfs/dbraw/zinc/88/90/64/1069889064.db2.gz KXVDGVIPIJENDI-JOCHJYFZSA-N 2 1 470.662 3.518 20 0 JHADMP CN(C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499069 1069974799 /nfs/dbraw/zinc/97/47/99/1069974799.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499069 1069974807 /nfs/dbraw/zinc/97/48/07/1069974807.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499069 1069974813 /nfs/dbraw/zinc/97/48/13/1069974813.db2.gz GMOPXYVQUADZOI-IZZNHLLZSA-N 2 1 450.627 3.584 20 0 JHADMP FC(F)(F)COc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Br ZINC001307417029 1069975038 /nfs/dbraw/zinc/97/50/38/1069975038.db2.gz ZZUQHHALVDQKAT-UHFFFAOYSA-N 2 1 451.327 3.934 20 0 JHADMP C[N@H+](CCC(=O)Nc1cccc(Br)c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001307761168 1070171933 /nfs/dbraw/zinc/17/19/33/1070171933.db2.gz PEOPCAVCPLXADG-UHFFFAOYSA-N 2 1 459.432 3.527 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001314397518 1070257035 /nfs/dbraw/zinc/25/70/35/1070257035.db2.gz TZGIPCMBJVSKDH-QFIPXVFZSA-N 2 1 472.634 3.640 20 0 JHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132650 1070262983 /nfs/dbraw/zinc/26/29/83/1070262983.db2.gz JRAGHZXCSFKMEN-AYRHNUGRSA-N 2 1 450.627 3.789 20 0 JHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132650 1070262992 /nfs/dbraw/zinc/26/29/92/1070262992.db2.gz JRAGHZXCSFKMEN-AYRHNUGRSA-N 2 1 450.627 3.789 20 0 JHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132650 1070263006 /nfs/dbraw/zinc/26/30/06/1070263006.db2.gz JRAGHZXCSFKMEN-AYRHNUGRSA-N 2 1 450.627 3.789 20 0 JHADMP CCOCc1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001314399871 1070261317 /nfs/dbraw/zinc/26/13/17/1070261317.db2.gz HGFKPGTXTCFGGA-XZOQPEGZSA-N 2 1 454.663 3.566 20 0 JHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001313137683 1070265896 /nfs/dbraw/zinc/26/58/96/1070265896.db2.gz FDUMHYIKOADIOQ-MZKUHISZSA-N 2 1 455.691 3.631 20 0 JHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069162 1070301800 /nfs/dbraw/zinc/30/18/00/1070301800.db2.gz SAENZNSSLRJLOQ-XMMPIXPASA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069162 1070301814 /nfs/dbraw/zinc/30/18/14/1070301814.db2.gz SAENZNSSLRJLOQ-XMMPIXPASA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069162 1070301830 /nfs/dbraw/zinc/30/18/30/1070301830.db2.gz SAENZNSSLRJLOQ-XMMPIXPASA-N 2 1 457.659 3.669 20 0 JHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@@H]3CC3(O)CCCCC3)CC2)cc1 ZINC001308069162 1070301850 /nfs/dbraw/zinc/30/18/50/1070301850.db2.gz SAENZNSSLRJLOQ-XMMPIXPASA-N 2 1 457.659 3.669 20 0 JHADMP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)cc1 ZINC001308191644 1070339188 /nfs/dbraw/zinc/33/91/88/1070339188.db2.gz HXJBXYYYTSMOTJ-UHFFFAOYSA-N 2 1 459.631 3.584 20 0 JHADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(Cl)c1OCC(N)=O ZINC001308344171 1070359417 /nfs/dbraw/zinc/35/94/17/1070359417.db2.gz XRUVCOGSXVJKOE-KCZVDYSFSA-N 2 1 458.002 3.603 20 0 JHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC001308441974 1070376143 /nfs/dbraw/zinc/37/61/43/1070376143.db2.gz RXQXOWVHEMLBFC-TZIWHRDSSA-N 2 1 450.364 3.918 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC001308441974 1070376163 /nfs/dbraw/zinc/37/61/63/1070376163.db2.gz RXQXOWVHEMLBFC-TZIWHRDSSA-N 2 1 450.364 3.918 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[NH+]2CC)C[C@@H]1CC ZINC001314495584 1070414653 /nfs/dbraw/zinc/41/46/53/1070414653.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1CC ZINC001314495584 1070414658 /nfs/dbraw/zinc/41/46/58/1070414658.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1CC ZINC001314495584 1070414662 /nfs/dbraw/zinc/41/46/62/1070414662.db2.gz IRTPHVYCXCAXBD-BJKOFHAPSA-N 2 1 454.663 3.757 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001314495779 1070415462 /nfs/dbraw/zinc/41/54/62/1070415462.db2.gz DAYHDHJBXMUIIL-QFIPXVFZSA-N 2 1 484.689 3.623 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001314495779 1070415467 /nfs/dbraw/zinc/41/54/67/1070415467.db2.gz DAYHDHJBXMUIIL-QFIPXVFZSA-N 2 1 484.689 3.623 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426469 /nfs/dbraw/zinc/42/64/69/1070426469.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426472 /nfs/dbraw/zinc/42/64/72/1070426472.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 2 1 476.710 3.577 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1CC ZINC001314499155 1070426478 /nfs/dbraw/zinc/42/64/78/1070426478.db2.gz MEIUWDATVCBVLL-ZJZGAYNASA-N 2 1 476.710 3.577 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001313572779 1070687479 /nfs/dbraw/zinc/68/74/79/1070687479.db2.gz BPBLTJUOESDGJL-UHFFFAOYSA-N 2 1 468.690 3.624 20 0 JHADMP CC[N@H+]1CCCN(S(=O)(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC001309570381 1070863659 /nfs/dbraw/zinc/86/36/59/1070863659.db2.gz KJQYXCZULUWRAX-DCEDVJGZSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC001309570381 1070863677 /nfs/dbraw/zinc/86/36/77/1070863677.db2.gz KJQYXCZULUWRAX-DCEDVJGZSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+]1CCCN(S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC001309570381 1070863702 /nfs/dbraw/zinc/86/37/02/1070863702.db2.gz KJQYXCZULUWRAX-DCEDVJGZSA-N 2 1 459.631 3.540 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccsc1 ZINC001313666873 1070887527 /nfs/dbraw/zinc/88/75/27/1070887527.db2.gz YFKLZLUBSOLJGK-TUACAJSNSA-N 2 1 484.718 3.984 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccc(Cl)cc2)n1CC[NH+]1CCCCC1 ZINC001314712599 1070898138 /nfs/dbraw/zinc/89/81/38/1070898138.db2.gz RNYUMZDZHKENIV-UHFFFAOYSA-N 2 1 489.108 3.803 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313691867 1070952759 /nfs/dbraw/zinc/95/27/59/1070952759.db2.gz ZJZCTZAZVGDPAM-SZPZYZBQSA-N 2 1 496.704 3.604 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001313694202 1070956574 /nfs/dbraw/zinc/95/65/74/1070956574.db2.gz QZSVMDTWQGYDKA-JOCHJYFZSA-N 2 1 453.679 3.839 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+]2CCCC[C@H]2C1)C(C)C ZINC001313802243 1071208326 /nfs/dbraw/zinc/20/83/26/1071208326.db2.gz CVQUHPAMNQAEKJ-FQEVSTJZSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC001313802243 1071208333 /nfs/dbraw/zinc/20/83/33/1071208333.db2.gz CVQUHPAMNQAEKJ-FQEVSTJZSA-N 2 1 462.589 3.951 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)C(C)C ZINC001313802243 1071208339 /nfs/dbraw/zinc/20/83/39/1071208339.db2.gz CVQUHPAMNQAEKJ-FQEVSTJZSA-N 2 1 462.589 3.951 20 0 JHADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242666 /nfs/dbraw/zinc/24/26/66/1071242666.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242672 /nfs/dbraw/zinc/24/26/72/1071242672.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[NH+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C)CCC(F)(F)F ZINC001313810751 1071242679 /nfs/dbraw/zinc/24/26/79/1071242679.db2.gz WQTYPIXGKNMOHG-AEFFLSMTSA-N 2 1 485.986 3.941 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361566 /nfs/dbraw/zinc/36/15/66/1071361566.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361579 /nfs/dbraw/zinc/36/15/79/1071361579.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361590 /nfs/dbraw/zinc/36/15/90/1071361590.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 2 1 454.663 3.589 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361597 /nfs/dbraw/zinc/36/15/97/1071361597.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 2 1 454.663 3.589 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001313859626 1071365535 /nfs/dbraw/zinc/36/55/35/1071365535.db2.gz HIHKDZMYNJWCHS-BHIFYINESA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001313859626 1071365546 /nfs/dbraw/zinc/36/55/46/1071365546.db2.gz HIHKDZMYNJWCHS-BHIFYINESA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001313859626 1071365558 /nfs/dbraw/zinc/36/55/58/1071365558.db2.gz HIHKDZMYNJWCHS-BHIFYINESA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001313859626 1071365565 /nfs/dbraw/zinc/36/55/65/1071365565.db2.gz HIHKDZMYNJWCHS-BHIFYINESA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387613 /nfs/dbraw/zinc/38/76/13/1071387613.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@H+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387632 /nfs/dbraw/zinc/38/76/32/1071387632.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 2 1 463.468 3.967 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001313864606 1071387652 /nfs/dbraw/zinc/38/76/52/1071387652.db2.gz ZDCTWUHFVHDJAU-ROUUACIJSA-N 2 1 463.468 3.967 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071397008 /nfs/dbraw/zinc/39/70/08/1071397008.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071397021 /nfs/dbraw/zinc/39/70/21/1071397021.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313866905 1071397035 /nfs/dbraw/zinc/39/70/35/1071397035.db2.gz HRDNRBGTGWGTPW-XZOQPEGZSA-N 2 1 468.690 3.941 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313868285 1071403331 /nfs/dbraw/zinc/40/33/31/1071403331.db2.gz NJBSCPSEGAZTHK-HKBOAZHASA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001313871120 1071415892 /nfs/dbraw/zinc/41/58/92/1071415892.db2.gz XBBKREYABZDSPE-STSQHVNTSA-N 2 1 485.677 3.995 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441451 /nfs/dbraw/zinc/44/14/51/1071441451.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441455 /nfs/dbraw/zinc/44/14/55/1071441455.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001313877434 1071441461 /nfs/dbraw/zinc/44/14/61/1071441461.db2.gz TZXMLXWULVFOKY-PCCBWWKXSA-N 2 1 490.643 3.567 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878798 1071445858 /nfs/dbraw/zinc/44/58/58/1071445858.db2.gz VTSRGOGCBCVFDN-PKTZIBPZSA-N 2 1 454.663 3.960 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CC[NH+]2CCCCCC2)C[C@H]1C ZINC001313878796 1071446062 /nfs/dbraw/zinc/44/60/62/1071446062.db2.gz VTSRGOGCBCVFDN-DHIUTWEWSA-N 2 1 454.663 3.960 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455846 /nfs/dbraw/zinc/45/58/46/1071455846.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455851 /nfs/dbraw/zinc/45/58/51/1071455851.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 2 1 489.709 3.752 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313881755 1071455860 /nfs/dbraw/zinc/45/58/60/1071455860.db2.gz CRJICTLTBFNOAJ-AQCRLBJHSA-N 2 1 489.709 3.752 20 0 JHADMP CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895294 1071496275 /nfs/dbraw/zinc/49/62/75/1071496275.db2.gz ZPIBMGUXVPLBMR-KGSLCBSSSA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895294 1071496280 /nfs/dbraw/zinc/49/62/80/1071496280.db2.gz ZPIBMGUXVPLBMR-KGSLCBSSSA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895294 1071496283 /nfs/dbraw/zinc/49/62/83/1071496283.db2.gz ZPIBMGUXVPLBMR-KGSLCBSSSA-N 2 1 488.652 3.587 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313895294 1071496285 /nfs/dbraw/zinc/49/62/85/1071496285.db2.gz ZPIBMGUXVPLBMR-KGSLCBSSSA-N 2 1 488.652 3.587 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001313897133 1071501050 /nfs/dbraw/zinc/50/10/50/1071501050.db2.gz UHGWXRUMYOFPJZ-HKUYNNGSSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001313897133 1071501056 /nfs/dbraw/zinc/50/10/56/1071501056.db2.gz UHGWXRUMYOFPJZ-HKUYNNGSSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001313897133 1071501067 /nfs/dbraw/zinc/50/10/67/1071501067.db2.gz UHGWXRUMYOFPJZ-HKUYNNGSSA-N 2 1 481.472 3.893 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313925385 1071573536 /nfs/dbraw/zinc/57/35/36/1071573536.db2.gz PHRUQGFHDBHPOT-XUVXKRRUSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001313925385 1071573545 /nfs/dbraw/zinc/57/35/45/1071573545.db2.gz PHRUQGFHDBHPOT-XUVXKRRUSA-N 2 1 492.087 3.683 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001313925385 1071573552 /nfs/dbraw/zinc/57/35/52/1071573552.db2.gz PHRUQGFHDBHPOT-XUVXKRRUSA-N 2 1 492.087 3.683 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928342 1071583726 /nfs/dbraw/zinc/58/37/26/1071583726.db2.gz ATMREGRGCPORSY-REWPJTCUSA-N 2 1 454.663 3.952 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC001313929575 1071587237 /nfs/dbraw/zinc/58/72/37/1071587237.db2.gz OZEQQGQIZDCSTN-DEOSSOPVSA-N 2 1 487.781 3.985 20 0 JHADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313933222 1071597055 /nfs/dbraw/zinc/59/70/55/1071597055.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313933222 1071597065 /nfs/dbraw/zinc/59/70/65/1071597065.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313933222 1071597076 /nfs/dbraw/zinc/59/70/76/1071597076.db2.gz NUGZIRXOFRHRFV-ZWKOTPCHSA-N 2 1 491.478 3.731 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC)[C@H](C)C1)C1CC1 ZINC001313934199 1071601189 /nfs/dbraw/zinc/60/11/89/1071601189.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 2 1 461.452 3.722 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1)C1CC1 ZINC001313934199 1071601194 /nfs/dbraw/zinc/60/11/94/1071601194.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 2 1 461.452 3.722 20 0 JHADMP CC[NH+](CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C1CC1 ZINC001313934199 1071601196 /nfs/dbraw/zinc/60/11/96/1071601196.db2.gz QLMFSGWRLASCCP-QGZVFWFLSA-N 2 1 461.452 3.722 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941392 1071616924 /nfs/dbraw/zinc/61/69/24/1071616924.db2.gz CGRJLQZWZRYUEE-VJBWXMMDSA-N 2 1 484.689 3.584 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617114 /nfs/dbraw/zinc/61/71/14/1071617114.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 2 1 484.689 3.584 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617118 /nfs/dbraw/zinc/61/71/18/1071617118.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 2 1 484.689 3.584 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941390 1071617121 /nfs/dbraw/zinc/61/71/21/1071617121.db2.gz CGRJLQZWZRYUEE-RJGXRXQPSA-N 2 1 484.689 3.584 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313947111 1071630992 /nfs/dbraw/zinc/63/09/92/1071630992.db2.gz FIKURXIIGWBVKZ-OAQYLSRUSA-N 2 1 451.619 3.681 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2cc[nH+]c2C)C[C@H]1C ZINC001313947111 1071630999 /nfs/dbraw/zinc/63/09/99/1071630999.db2.gz FIKURXIIGWBVKZ-OAQYLSRUSA-N 2 1 451.619 3.681 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930777 1068229999 /nfs/dbraw/zinc/22/99/99/1068229999.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001305930777 1068230013 /nfs/dbraw/zinc/23/00/13/1068230013.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305930777 1068230027 /nfs/dbraw/zinc/23/00/27/1068230027.db2.gz YCXQGLZMLDBLTP-HWBMXIPRSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930776 1068230411 /nfs/dbraw/zinc/23/04/11/1068230411.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001305930776 1068230413 /nfs/dbraw/zinc/23/04/13/1068230413.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305930776 1068230420 /nfs/dbraw/zinc/23/04/20/1068230420.db2.gz YCXQGLZMLDBLTP-FBLLAGFSSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001305947761 1068266189 /nfs/dbraw/zinc/26/61/89/1068266189.db2.gz KGENEBXNAWOFJE-UHFFFAOYSA-N 2 1 492.716 3.910 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001305947761 1068266203 /nfs/dbraw/zinc/26/62/03/1068266203.db2.gz KGENEBXNAWOFJE-UHFFFAOYSA-N 2 1 492.716 3.910 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CCOC)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001305951588 1068275296 /nfs/dbraw/zinc/27/52/96/1068275296.db2.gz WJPGCRVQILCZMI-HSZRJFAPSA-N 2 1 468.671 3.640 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001306322435 1068752958 /nfs/dbraw/zinc/75/29/58/1068752958.db2.gz GXSQTDJGSAMHCY-QHCPKHFHSA-N 2 1 470.710 3.715 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001306391025 1068830381 /nfs/dbraw/zinc/83/03/81/1068830381.db2.gz VMNVFBAFCPSVJK-ZCYQVOJMSA-N 2 1 498.716 3.968 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C[C@@H](C)[NH+](C)C)CC[N@H+]1CCOC ZINC001306405625 1068874470 /nfs/dbraw/zinc/87/44/70/1068874470.db2.gz FMRKZTHSXQQXFU-SFHLNBCPSA-N 2 1 474.719 3.629 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001306408646 1068886540 /nfs/dbraw/zinc/88/65/40/1068886540.db2.gz CNDXUPXOELAVTP-HSZRJFAPSA-N 2 1 454.663 3.757 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306410141 1068890347 /nfs/dbraw/zinc/89/03/47/1068890347.db2.gz CYHIWYCYGZHQCQ-YPAWHYETSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306410141 1068890357 /nfs/dbraw/zinc/89/03/57/1068890357.db2.gz CYHIWYCYGZHQCQ-YPAWHYETSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306410141 1068890365 /nfs/dbraw/zinc/89/03/65/1068890365.db2.gz CYHIWYCYGZHQCQ-YPAWHYETSA-N 2 1 472.653 3.752 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1CCOC ZINC001306423979 1068917616 /nfs/dbraw/zinc/91/76/16/1068917616.db2.gz NAVVZQLXWDQCPP-ZDXQCDESSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306423979 1068917628 /nfs/dbraw/zinc/91/76/28/1068917628.db2.gz NAVVZQLXWDQCPP-ZDXQCDESSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1CCOC ZINC001306423979 1068917636 /nfs/dbraw/zinc/91/76/36/1068917636.db2.gz NAVVZQLXWDQCPP-ZDXQCDESSA-N 2 1 483.705 3.564 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001306432351 1068933153 /nfs/dbraw/zinc/93/31/53/1068933153.db2.gz DNMOMYINHAEPJJ-JWQCQUIFSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC001306432351 1068933165 /nfs/dbraw/zinc/93/31/65/1068933165.db2.gz DNMOMYINHAEPJJ-JWQCQUIFSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@H]1CN(c2nnc(CC(C)C)n2CCCC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001306437209 1068941093 /nfs/dbraw/zinc/94/10/93/1068941093.db2.gz DRNWVNKQFZKDHP-BJKOFHAPSA-N 2 1 460.711 3.536 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)c2c1CC[NH2+]C2 ZINC001164682843 719650315 /nfs/dbraw/zinc/65/03/15/719650315.db2.gz TVKHIVUSNZJUMC-UHFFFAOYSA-N 2 1 492.958 3.977 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)c2c1CC[NH2+]C2 ZINC001164682843 719650318 /nfs/dbraw/zinc/65/03/18/719650318.db2.gz TVKHIVUSNZJUMC-UHFFFAOYSA-N 2 1 492.958 3.977 20 0 JHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c2c1C ZINC001164684615 719669814 /nfs/dbraw/zinc/66/98/14/719669814.db2.gz UYKSGFYPRAZIIJ-FQEVSTJZSA-N 2 1 460.626 3.668 20 0 JHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001164833409 720322188 /nfs/dbraw/zinc/32/21/88/720322188.db2.gz WVRCXLXBLGVTEJ-RPWUZVMVSA-N 2 1 476.600 3.530 20 0 JHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164842347 720707313 /nfs/dbraw/zinc/70/73/13/720707313.db2.gz YRZAHDKIDQKZML-DEOSSOPVSA-N 2 1 450.627 3.816 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164751864 720832894 /nfs/dbraw/zinc/83/28/94/720832894.db2.gz ZKPMNSQUOZBKRQ-QQKQFIJSSA-N 2 1 486.599 3.590 20 0 JHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164751864 720832895 /nfs/dbraw/zinc/83/28/95/720832895.db2.gz ZKPMNSQUOZBKRQ-QQKQFIJSSA-N 2 1 486.599 3.590 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864416 720876745 /nfs/dbraw/zinc/87/67/45/720876745.db2.gz VRTFHRJLXHZVGQ-RBBKRZOGSA-N 2 1 499.725 3.585 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCC(C)CC4)nc4sc5c(c43)CCC5)CC[C@H]2C1 ZINC001164864416 720876746 /nfs/dbraw/zinc/87/67/46/720876746.db2.gz VRTFHRJLXHZVGQ-RBBKRZOGSA-N 2 1 499.725 3.585 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768721 721202457 /nfs/dbraw/zinc/20/24/57/721202457.db2.gz LQFPCHHNGXQUBH-LEWJYISDSA-N 2 1 467.687 3.842 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164768721 721202467 /nfs/dbraw/zinc/20/24/67/721202467.db2.gz LQFPCHHNGXQUBH-LEWJYISDSA-N 2 1 467.687 3.842 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)n1 ZINC001164792059 721484716 /nfs/dbraw/zinc/48/47/16/721484716.db2.gz LCXWNZGFCMSEEU-UFYCRDLUSA-N 2 1 481.670 3.703 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@@H+]3C2)c1 ZINC001164908104 721529377 /nfs/dbraw/zinc/52/93/77/721529377.db2.gz ORWNGLDDXZHQKP-LADGPHEKSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH+](Cc4ccccc4)C5)CC[N@H+]3C2)c1 ZINC001164908104 721529383 /nfs/dbraw/zinc/52/93/83/721529383.db2.gz ORWNGLDDXZHQKP-LADGPHEKSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908104 721529385 /nfs/dbraw/zinc/52/93/85/721529385.db2.gz ORWNGLDDXZHQKP-LADGPHEKSA-N 2 1 459.569 3.516 20 0 JHADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)CC[NH+]3C2)c1 ZINC001164908104 721529391 /nfs/dbraw/zinc/52/93/91/721529391.db2.gz ORWNGLDDXZHQKP-LADGPHEKSA-N 2 1 459.569 3.516 20 0 JHADMP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952227 722017801 /nfs/dbraw/zinc/01/78/01/722017801.db2.gz JWPDCQFRLZUXJY-UHFFFAOYSA-N 2 1 462.598 3.866 20 0 JHADMP CC(C)(C)C(=O)OCn1ccc2c1nc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952227 722017806 /nfs/dbraw/zinc/01/78/06/722017806.db2.gz JWPDCQFRLZUXJY-UHFFFAOYSA-N 2 1 462.598 3.866 20 0 JHADMP CC(C)CN(c1ccc(C[N@@H+](C)C2CC2)cn1)c1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 ZINC001164967871 722078589 /nfs/dbraw/zinc/07/85/89/722078589.db2.gz LRWKNKLELLWLEM-UHFFFAOYSA-N 2 1 476.669 3.789 20 0 JHADMP CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001311370781 1069348717 /nfs/dbraw/zinc/34/87/17/1069348717.db2.gz VHDCBGVXGTZUTJ-FTJBHMTQSA-N 2 1 455.691 3.630 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306648488 1069359969 /nfs/dbraw/zinc/35/99/69/1069359969.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306648488 1069359981 /nfs/dbraw/zinc/35/99/81/1069359981.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 2 1 468.690 3.923 20 0 JHADMP CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306648488 1069359994 /nfs/dbraw/zinc/35/99/94/1069359994.db2.gz RHJXYLLWMUEIRN-VWNXMTODSA-N 2 1 468.690 3.923 20 0 JHADMP Cc1cc(N2CCC(NC(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)nc(C)[nH+]1 ZINC001311491688 1069403707 /nfs/dbraw/zinc/40/37/07/1069403707.db2.gz BNBOYIRSRCSEMW-UHFFFAOYSA-N 2 1 450.631 3.794 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001306677715 1069401572 /nfs/dbraw/zinc/40/15/72/1069401572.db2.gz BGCLOXIFECBYJO-RDGATRHJSA-N 2 1 478.751 3.558 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306677735 1069401767 /nfs/dbraw/zinc/40/17/67/1069401767.db2.gz BQIMIWAVOQZQJA-JOCHJYFZSA-N 2 1 455.695 3.964 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677735 1069401775 /nfs/dbraw/zinc/40/17/75/1069401775.db2.gz BQIMIWAVOQZQJA-JOCHJYFZSA-N 2 1 455.695 3.964 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306677735 1069401781 /nfs/dbraw/zinc/40/17/81/1069401781.db2.gz BQIMIWAVOQZQJA-JOCHJYFZSA-N 2 1 455.695 3.964 20 0 JHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001311495381 1069405524 /nfs/dbraw/zinc/40/55/24/1069405524.db2.gz TUSNZFQUEBJFSX-QHCPKHFHSA-N 2 1 455.691 3.620 20 0 JHADMP CCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001306680863 1069408325 /nfs/dbraw/zinc/40/83/25/1069408325.db2.gz UVSQZBAMYUBVOP-XMMPIXPASA-N 2 1 481.689 3.944 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001306681243 1069409854 /nfs/dbraw/zinc/40/98/54/1069409854.db2.gz UNMQJXKANNCTRL-PKTZIBPZSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001306681243 1069409865 /nfs/dbraw/zinc/40/98/65/1069409865.db2.gz UNMQJXKANNCTRL-PKTZIBPZSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001306681243 1069409874 /nfs/dbraw/zinc/40/98/74/1069409874.db2.gz UNMQJXKANNCTRL-PKTZIBPZSA-N 2 1 487.737 3.583 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001306686271 1069422517 /nfs/dbraw/zinc/42/25/17/1069422517.db2.gz CQKTWBIDZBEGQR-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306686271 1069422525 /nfs/dbraw/zinc/42/25/25/1069422525.db2.gz CQKTWBIDZBEGQR-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001306686271 1069422533 /nfs/dbraw/zinc/42/25/33/1069422533.db2.gz CQKTWBIDZBEGQR-FPOVZHCZSA-N 2 1 461.054 3.915 20 0 JHADMP COc1ccccc1[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001311574368 1069445246 /nfs/dbraw/zinc/44/52/46/1069445246.db2.gz RVGPBBNUDYUJMP-NOZRDPDXSA-N 2 1 450.627 3.996 20 0 JHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001311767128 1069539177 /nfs/dbraw/zinc/53/91/77/1069539177.db2.gz ZKBIVHSNZVQLAF-ZONZVBGPSA-N 2 1 464.654 3.968 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)C1 ZINC001306778695 1069574362 /nfs/dbraw/zinc/57/43/62/1069574362.db2.gz AVQRSUOIUWULLQ-GOSISDBHSA-N 2 1 492.510 3.699 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306786293 1069588736 /nfs/dbraw/zinc/58/87/36/1069588736.db2.gz UNTGMTXPHWAZJA-OAQYLSRUSA-N 2 1 486.730 3.949 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC001306802186 1069608166 /nfs/dbraw/zinc/60/81/66/1069608166.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306802186 1069608172 /nfs/dbraw/zinc/60/81/72/1069608172.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306802186 1069608178 /nfs/dbraw/zinc/60/81/78/1069608178.db2.gz HLRUBENIYAKCBJ-IAGOWNOFSA-N 2 1 466.472 3.687 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001306806401 1069618630 /nfs/dbraw/zinc/61/86/30/1069618630.db2.gz UMTLBWMSYRCMEN-UHFFFAOYSA-N 2 1 453.610 3.857 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001306806401 1069618633 /nfs/dbraw/zinc/61/86/33/1069618633.db2.gz UMTLBWMSYRCMEN-UHFFFAOYSA-N 2 1 453.610 3.857 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001306806401 1069618635 /nfs/dbraw/zinc/61/86/35/1069618635.db2.gz UMTLBWMSYRCMEN-UHFFFAOYSA-N 2 1 453.610 3.857 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312219410 1069790370 /nfs/dbraw/zinc/79/03/70/1069790370.db2.gz VXDCADGSGGZSHE-LOSJGSFVSA-N 2 1 456.606 3.579 20 0 JHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312219410 1069790379 /nfs/dbraw/zinc/79/03/79/1069790379.db2.gz VXDCADGSGGZSHE-LOSJGSFVSA-N 2 1 456.606 3.579 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001307047804 1069791343 /nfs/dbraw/zinc/79/13/43/1069791343.db2.gz AFQMUZHDPWSLIJ-VWLOTQADSA-N 2 1 486.680 3.675 20 0 JHADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312266196 1069823797 /nfs/dbraw/zinc/82/37/97/1069823797.db2.gz PZDSVUBDJHPJIA-HXUWFJFHSA-N 2 1 451.453 3.833 20 0 JHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001312266196 1069823824 /nfs/dbraw/zinc/82/38/24/1069823824.db2.gz PZDSVUBDJHPJIA-HXUWFJFHSA-N 2 1 451.453 3.833 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859158 /nfs/dbraw/zinc/85/91/58/1069859158.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 2 1 472.653 3.894 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859174 /nfs/dbraw/zinc/85/91/74/1069859174.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 2 1 472.653 3.894 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859188 /nfs/dbraw/zinc/85/91/88/1069859188.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 2 1 472.653 3.894 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307062612 1069859205 /nfs/dbraw/zinc/85/92/05/1069859205.db2.gz LALGGECTVQJPMK-BDTNDASRSA-N 2 1 472.653 3.894 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862919 /nfs/dbraw/zinc/86/29/19/1069862919.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862944 /nfs/dbraw/zinc/86/29/44/1069862944.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862968 /nfs/dbraw/zinc/86/29/68/1069862968.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307063307 1069862989 /nfs/dbraw/zinc/86/29/89/1069862989.db2.gz PRNPEZHYZIAQLA-XPWALMASSA-N 2 1 484.689 3.764 20 0 JHADMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001307460005 1069997875 /nfs/dbraw/zinc/99/78/75/1069997875.db2.gz ANFVXRGXLHSMRN-HSZRJFAPSA-N 2 1 458.647 3.620 20 0 JHADMP C[C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001312669611 1070072359 /nfs/dbraw/zinc/07/23/59/1070072359.db2.gz AVTBHEHESMIAEN-QFIPXVFZSA-N 2 1 450.627 3.966 20 0 JHADMP CCOCc1nnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001314343919 1070147321 /nfs/dbraw/zinc/14/73/21/1070147321.db2.gz LVUYXLSWQMJHRG-QHCPKHFHSA-N 2 1 454.663 3.790 20 0 JHADMP COC(=O)c1cc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226045 /nfs/dbraw/zinc/22/60/45/1070226045.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 2 1 454.567 3.501 20 0 JHADMP COC(=O)c1cc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226055 /nfs/dbraw/zinc/22/60/55/1070226055.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 2 1 454.567 3.501 20 0 JHADMP COC(=O)c1cc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226067 /nfs/dbraw/zinc/22/60/67/1070226067.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 2 1 454.567 3.501 20 0 JHADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC001313040780 1070231958 /nfs/dbraw/zinc/23/19/58/1070231958.db2.gz UUKCCPRHVUKXGF-VWLOTQADSA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC001313040780 1070231969 /nfs/dbraw/zinc/23/19/69/1070231969.db2.gz UUKCCPRHVUKXGF-VWLOTQADSA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040780 1070231976 /nfs/dbraw/zinc/23/19/76/1070231976.db2.gz UUKCCPRHVUKXGF-VWLOTQADSA-N 2 1 450.627 3.823 20 0 JHADMP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001313040780 1070231986 /nfs/dbraw/zinc/23/19/86/1070231986.db2.gz UUKCCPRHVUKXGF-VWLOTQADSA-N 2 1 450.627 3.823 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC/C=C/c1ccc(Br)cc1 ZINC001313074649 1070241910 /nfs/dbraw/zinc/24/19/10/1070241910.db2.gz NWLPXTMEHABZEN-WKOQKXSESA-N 2 1 451.453 3.910 20 0 JHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132652 1070262757 /nfs/dbraw/zinc/26/27/57/1070262757.db2.gz JRAGHZXCSFKMEN-DMTNHVFBSA-N 2 1 450.627 3.789 20 0 JHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132652 1070262772 /nfs/dbraw/zinc/26/27/72/1070262772.db2.gz JRAGHZXCSFKMEN-DMTNHVFBSA-N 2 1 450.627 3.789 20 0 JHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001313132652 1070262786 /nfs/dbraw/zinc/26/27/86/1070262786.db2.gz JRAGHZXCSFKMEN-DMTNHVFBSA-N 2 1 450.627 3.789 20 0 JHADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001313138479 1070266609 /nfs/dbraw/zinc/26/66/09/1070266609.db2.gz JFAYUYSUDQOYHL-RUZDIDTESA-N 2 1 455.691 3.631 20 0 JHADMP C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NC3CCN(c4cc[nH+]cc4)CC3)cc2)C[C@H](C)O1 ZINC001313409617 1070350599 /nfs/dbraw/zinc/35/05/99/1070350599.db2.gz SRDYZTGXDNSVOF-OYRHEFFESA-N 2 1 451.615 3.501 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1 ZINC001314494142 1070410007 /nfs/dbraw/zinc/41/00/07/1070410007.db2.gz NPFFKMSWXKBKNV-QHCPKHFHSA-N 2 1 456.679 3.599 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC001314492968 1070406925 /nfs/dbraw/zinc/40/69/25/1070406925.db2.gz CGXLYGRGMMJOOZ-UHFFFAOYSA-N 2 1 468.690 3.768 20 0 JHADMP C[NH+](C)[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654227 1070768205 /nfs/dbraw/zinc/76/82/05/1070768205.db2.gz JLBUCWOLWKUAFP-QHCPKHFHSA-N 2 1 454.663 3.550 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC001313663704 1070873618 /nfs/dbraw/zinc/87/36/18/1070873618.db2.gz GSJZEDRKFMVDLE-RUZDIDTESA-N 2 1 495.716 3.954 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001313667213 1070887936 /nfs/dbraw/zinc/88/79/36/1070887936.db2.gz KETGBSBFTPNYSB-QHCPKHFHSA-N 2 1 499.723 3.733 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC[N@H+]1CC=CCC1 ZINC001314714733 1070904113 /nfs/dbraw/zinc/90/41/13/1070904113.db2.gz WVEBVUOSGFJFBR-UHFFFAOYSA-N 2 1 473.065 3.655 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001314714733 1070904130 /nfs/dbraw/zinc/90/41/30/1070904130.db2.gz WVEBVUOSGFJFBR-UHFFFAOYSA-N 2 1 473.065 3.655 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676763 1070922846 /nfs/dbraw/zinc/92/28/46/1070922846.db2.gz ZBFQJYXMKVCODI-QHAWAJNXSA-N 2 1 460.667 3.797 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313676763 1070922853 /nfs/dbraw/zinc/92/28/53/1070922853.db2.gz ZBFQJYXMKVCODI-QHAWAJNXSA-N 2 1 460.667 3.797 20 0 JHADMP CC[NH+](CC)CCCn1c(-c2ccccc2OC)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313713937 1071011373 /nfs/dbraw/zinc/01/13/73/1071011373.db2.gz FJELXPHMCYMXKJ-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001313722700 1071027375 /nfs/dbraw/zinc/02/73/75/1071027375.db2.gz GIINZNOEJICETM-WOJBJXKFSA-N 2 1 455.676 3.959 20 0 JHADMP CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(C)C ZINC001313803567 1071212073 /nfs/dbraw/zinc/21/20/73/1071212073.db2.gz SEDGDMKRFCICLS-IBGZPJMESA-N 2 1 478.483 3.831 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)cc2)CC1 ZINC001310224638 1071219269 /nfs/dbraw/zinc/21/92/69/1071219269.db2.gz OVUJMAYXSMUBSF-XMMPIXPASA-N 2 1 455.647 3.631 20 0 JHADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001310224638 1071219279 /nfs/dbraw/zinc/21/92/79/1071219279.db2.gz OVUJMAYXSMUBSF-XMMPIXPASA-N 2 1 455.647 3.631 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCC1 ZINC001314872974 1071288819 /nfs/dbraw/zinc/28/88/19/1071288819.db2.gz XMZHEFDVYTWGNZ-UHFFFAOYSA-N 2 1 479.044 3.769 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc(Cl)cc2F)n1CC1([NH+](C)C)CCC1 ZINC001314872974 1071288829 /nfs/dbraw/zinc/28/88/29/1071288829.db2.gz XMZHEFDVYTWGNZ-UHFFFAOYSA-N 2 1 479.044 3.769 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001313858899 1071360864 /nfs/dbraw/zinc/36/08/64/1071360864.db2.gz CKMLAXMGZQIIQW-ACRUOGEOSA-N 2 1 458.626 3.962 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001313859629 1071365819 /nfs/dbraw/zinc/36/58/19/1071365819.db2.gz HIHKDZMYNJWCHS-FSSWDIPSSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001313859629 1071365837 /nfs/dbraw/zinc/36/58/37/1071365837.db2.gz HIHKDZMYNJWCHS-FSSWDIPSSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001313859629 1071365853 /nfs/dbraw/zinc/36/58/53/1071365853.db2.gz HIHKDZMYNJWCHS-FSSWDIPSSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001313859629 1071365864 /nfs/dbraw/zinc/36/58/64/1071365864.db2.gz HIHKDZMYNJWCHS-FSSWDIPSSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[NH+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362690 /nfs/dbraw/zinc/36/26/90/1071362690.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362704 /nfs/dbraw/zinc/36/27/04/1071362704.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 2 1 475.081 3.754 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@H+]2CCC[C@H]2CO)C[C@@H]1C ZINC001313859154 1071362721 /nfs/dbraw/zinc/36/27/21/1071362721.db2.gz DYDLSGZBKVTIQQ-JTAQYXEDSA-N 2 1 475.081 3.754 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313860824 1071372305 /nfs/dbraw/zinc/37/23/05/1071372305.db2.gz OPVFDGKMTLNWGE-WOVHNISZSA-N 2 1 499.729 3.503 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313863348 1071381662 /nfs/dbraw/zinc/38/16/62/1071381662.db2.gz DBRRFDVMGDWNMP-SXWKCWPCSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001313862718 1071378052 /nfs/dbraw/zinc/37/80/52/1071378052.db2.gz QQPVXWQDBDAJKX-AABGKKOBSA-N 2 1 476.666 3.525 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313863349 1071381224 /nfs/dbraw/zinc/38/12/24/1071381224.db2.gz DBRRFDVMGDWNMP-ZRCGQRJVSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001313867070 1071397365 /nfs/dbraw/zinc/39/73/65/1071397365.db2.gz JFWKFDPDHWOKJI-DNQXCXABSA-N 2 1 481.733 3.998 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313870590 1071414289 /nfs/dbraw/zinc/41/42/89/1071414289.db2.gz DWVUICDEGXRCQL-ZFGGDYGUSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313870590 1071414291 /nfs/dbraw/zinc/41/42/91/1071414291.db2.gz DWVUICDEGXRCQL-ZFGGDYGUSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313874335 1071427873 /nfs/dbraw/zinc/42/78/73/1071427873.db2.gz NNQDTGTYTKOACI-PKTZIBPZSA-N 2 1 453.679 3.839 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313874280 1071427957 /nfs/dbraw/zinc/42/79/57/1071427957.db2.gz OLDXICNOYCZGHE-GIWBLDEGSA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313874415 1071428594 /nfs/dbraw/zinc/42/85/94/1071428594.db2.gz NVGCSYNDNLJVIX-ROUUACIJSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313874415 1071428601 /nfs/dbraw/zinc/42/86/01/1071428601.db2.gz NVGCSYNDNLJVIX-ROUUACIJSA-N 2 1 457.573 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432648 /nfs/dbraw/zinc/43/26/48/1071432648.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432654 /nfs/dbraw/zinc/43/26/54/1071432654.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875311 1071432660 /nfs/dbraw/zinc/43/26/60/1071432660.db2.gz PVIKPYMJQIEMJX-VXKWHMMOSA-N 2 1 453.679 3.837 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433634 /nfs/dbraw/zinc/43/36/34/1071433634.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433638 /nfs/dbraw/zinc/43/36/38/1071433638.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313875313 1071433644 /nfs/dbraw/zinc/43/36/44/1071433644.db2.gz PVIKPYMJQIEMJX-YADHBBJMSA-N 2 1 453.679 3.837 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313878931 1071446863 /nfs/dbraw/zinc/44/68/63/1071446863.db2.gz WITVUJXYGZWPCK-ZEQRLZLVSA-N 2 1 498.716 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313879266 1071448438 /nfs/dbraw/zinc/44/84/38/1071448438.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001313879266 1071448440 /nfs/dbraw/zinc/44/84/40/1071448440.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313879266 1071448442 /nfs/dbraw/zinc/44/84/42/1071448442.db2.gz ZSNWATMVZIYPGK-FUDKSRODSA-N 2 1 454.663 3.671 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460362 /nfs/dbraw/zinc/46/03/62/1071460362.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460367 /nfs/dbraw/zinc/46/03/67/1071460367.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001313883118 1071460374 /nfs/dbraw/zinc/46/03/74/1071460374.db2.gz IGCMVDORTXRBKL-HKBOAZHASA-N 2 1 458.626 3.647 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001313894905 1071494880 /nfs/dbraw/zinc/49/48/80/1071494880.db2.gz JOTALOMPTSEEOO-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001313894905 1071494885 /nfs/dbraw/zinc/49/48/85/1071494885.db2.gz JOTALOMPTSEEOO-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(Cc3ccccc3OC)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001313894905 1071494892 /nfs/dbraw/zinc/49/48/92/1071494892.db2.gz JOTALOMPTSEEOO-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001313904698 1071518970 /nfs/dbraw/zinc/51/89/70/1071518970.db2.gz KSVCTYJEOMRGCR-HXUWFJFHSA-N 2 1 492.510 3.887 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557124 /nfs/dbraw/zinc/55/71/24/1071557124.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557128 /nfs/dbraw/zinc/55/71/28/1071557128.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001313919436 1071557131 /nfs/dbraw/zinc/55/71/31/1071557131.db2.gz BMIHBPFGFYRTGF-DNQXCXABSA-N 2 1 473.754 3.908 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579941 /nfs/dbraw/zinc/57/99/41/1071579941.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579944 /nfs/dbraw/zinc/57/99/44/1071579944.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 2 1 481.733 3.702 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313927398 1071579946 /nfs/dbraw/zinc/57/99/46/1071579946.db2.gz KIZHCOOYKXXANZ-DNQXCXABSA-N 2 1 481.733 3.702 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC001313928340 1071583849 /nfs/dbraw/zinc/58/38/49/1071583849.db2.gz ATMREGRGCPORSY-NZQKXSOJSA-N 2 1 454.663 3.952 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599233 /nfs/dbraw/zinc/59/92/33/1071599233.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 2 1 478.483 3.831 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599237 /nfs/dbraw/zinc/59/92/37/1071599237.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 2 1 478.483 3.831 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001313933701 1071599241 /nfs/dbraw/zinc/59/92/41/1071599241.db2.gz MOMLYNBESMYYBD-QGZVFWFLSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313934804 1071603562 /nfs/dbraw/zinc/60/35/62/1071603562.db2.gz TZPCDDWFKJHUDM-QFIPXVFZSA-N 2 1 481.689 3.800 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599740 /nfs/dbraw/zinc/59/97/40/1071599740.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 2 1 478.483 3.688 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599743 /nfs/dbraw/zinc/59/97/43/1071599743.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 2 1 478.483 3.688 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933911 1071599749 /nfs/dbraw/zinc/59/97/49/1071599749.db2.gz OPNINGBAMRQFBT-KRWDZBQOSA-N 2 1 478.483 3.688 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936453 1071607815 /nfs/dbraw/zinc/60/78/15/1071607815.db2.gz OECFKZJEEVIPAY-ICSRJNTNSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936453 1071607818 /nfs/dbraw/zinc/60/78/18/1071607818.db2.gz OECFKZJEEVIPAY-ICSRJNTNSA-N 2 1 479.044 3.625 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001313936453 1071607822 /nfs/dbraw/zinc/60/78/22/1071607822.db2.gz OECFKZJEEVIPAY-ICSRJNTNSA-N 2 1 479.044 3.625 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001313942562 1071620799 /nfs/dbraw/zinc/62/07/99/1071620799.db2.gz KAAGIYXPJBITBY-DHIUTWEWSA-N 2 1 454.663 3.552 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313943960 1071623913 /nfs/dbraw/zinc/62/39/13/1071623913.db2.gz XNYLOFWHLBJRPL-QHCPKHFHSA-N 2 1 484.689 3.542 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001313943960 1071623917 /nfs/dbraw/zinc/62/39/17/1071623917.db2.gz XNYLOFWHLBJRPL-QHCPKHFHSA-N 2 1 484.689 3.542 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313950364 1071638100 /nfs/dbraw/zinc/63/81/00/1071638100.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001313950364 1071638101 /nfs/dbraw/zinc/63/81/01/1071638101.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001313950364 1071638104 /nfs/dbraw/zinc/63/81/04/1071638104.db2.gz VAJOILWXELSGDC-PZJWPPBQSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313950360 1071638170 /nfs/dbraw/zinc/63/81/70/1071638170.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313950360 1071638172 /nfs/dbraw/zinc/63/81/72/1071638172.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001313950360 1071638177 /nfs/dbraw/zinc/63/81/77/1071638177.db2.gz VAJOILWXELSGDC-CTNGQTDRSA-N 2 1 461.054 3.915 20 0 JHADMP CCN1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313957990 1071661861 /nfs/dbraw/zinc/66/18/61/1071661861.db2.gz MCEOKGIWOUIHGN-UHFFFAOYSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001313957990 1071661863 /nfs/dbraw/zinc/66/18/63/1071661863.db2.gz MCEOKGIWOUIHGN-UHFFFAOYSA-N 2 1 474.097 3.547 20 0 JHADMP CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001313957990 1071661867 /nfs/dbraw/zinc/66/18/67/1071661867.db2.gz MCEOKGIWOUIHGN-UHFFFAOYSA-N 2 1 474.097 3.547 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314126522 1072035610 /nfs/dbraw/zinc/03/56/10/1072035610.db2.gz RMSGOECRRXSDCM-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126522 1072035617 /nfs/dbraw/zinc/03/56/17/1072035617.db2.gz RMSGOECRRXSDCM-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126522 1072035625 /nfs/dbraw/zinc/03/56/25/1072035625.db2.gz RMSGOECRRXSDCM-AREMUKBSSA-N 2 1 476.710 3.505 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930779 1068230126 /nfs/dbraw/zinc/23/01/26/1068230126.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001305930779 1068230147 /nfs/dbraw/zinc/23/01/47/1068230147.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305930779 1068230165 /nfs/dbraw/zinc/23/01/65/1068230165.db2.gz YCXQGLZMLDBLTP-WRALFONMSA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001305985982 1068336754 /nfs/dbraw/zinc/33/67/54/1068336754.db2.gz CTMSMGTTYLHRRR-HSZRJFAPSA-N 2 1 498.716 3.841 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321766 1068752362 /nfs/dbraw/zinc/75/23/62/1068752362.db2.gz BQWDWZUHYFMKSV-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321766 1068752369 /nfs/dbraw/zinc/75/23/69/1068752369.db2.gz BQWDWZUHYFMKSV-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321766 1068752374 /nfs/dbraw/zinc/75/23/74/1068752374.db2.gz BQWDWZUHYFMKSV-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306321766 1068752381 /nfs/dbraw/zinc/75/23/81/1068752381.db2.gz BQWDWZUHYFMKSV-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@@H+]1CCOC ZINC001306386932 1068820782 /nfs/dbraw/zinc/82/07/82/1068820782.db2.gz LTTZZVBHHNQPHW-NRFANRHFSA-N 2 1 469.609 3.630 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@H+]1CCOC ZINC001306386932 1068820804 /nfs/dbraw/zinc/82/08/04/1068820804.db2.gz LTTZZVBHHNQPHW-NRFANRHFSA-N 2 1 469.609 3.630 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@@H+]1CCOC ZINC001306389500 1068826360 /nfs/dbraw/zinc/82/63/60/1068826360.db2.gz NDUFLTLPHGPWDK-NRFANRHFSA-N 2 1 483.636 3.804 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC[N@H+]1CCOC ZINC001306389500 1068826365 /nfs/dbraw/zinc/82/63/65/1068826365.db2.gz NDUFLTLPHGPWDK-NRFANRHFSA-N 2 1 483.636 3.804 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+](CC)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402233 1068863284 /nfs/dbraw/zinc/86/32/84/1068863284.db2.gz NMRTXWUUJXUBFL-REWPJTCUSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@@H+](CC)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306402233 1068863298 /nfs/dbraw/zinc/86/32/98/1068863298.db2.gz NMRTXWUUJXUBFL-REWPJTCUSA-N 2 1 475.081 3.876 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001306420339 1068912874 /nfs/dbraw/zinc/91/28/74/1068912874.db2.gz WAAZSEZXHZHVQR-GOTSBHOMSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420339 1068912878 /nfs/dbraw/zinc/91/28/78/1068912878.db2.gz WAAZSEZXHZHVQR-GOTSBHOMSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420339 1068912880 /nfs/dbraw/zinc/91/28/80/1068912880.db2.gz WAAZSEZXHZHVQR-GOTSBHOMSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001306427380 1068922640 /nfs/dbraw/zinc/92/26/40/1068922640.db2.gz PNFVKALOOGRTAS-DSITVLBTSA-N 2 1 484.689 3.678 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1CCOC ZINC001306615137 1069295464 /nfs/dbraw/zinc/29/54/64/1069295464.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615137 1069295473 /nfs/dbraw/zinc/29/54/73/1069295473.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(C)n2C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CCOC ZINC001306615137 1069295483 /nfs/dbraw/zinc/29/54/83/1069295483.db2.gz DRBLRKHFTYUIJO-IZZNHLLZSA-N 2 1 468.690 3.826 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306621275 1069309469 /nfs/dbraw/zinc/30/94/69/1069309469.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306621275 1069309482 /nfs/dbraw/zinc/30/94/82/1069309482.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306621275 1069309499 /nfs/dbraw/zinc/30/94/99/1069309499.db2.gz XOXVYZPIIZQGPI-QZNHQXDQSA-N 2 1 472.678 3.904 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664192 719357768 /nfs/dbraw/zinc/35/77/68/719357768.db2.gz LVABJFUPBPNBOZ-RBJSKKJNSA-N 2 1 493.700 3.998 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[C@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664192 719357771 /nfs/dbraw/zinc/35/77/71/719357771.db2.gz LVABJFUPBPNBOZ-RBJSKKJNSA-N 2 1 493.700 3.998 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679802 719645229 /nfs/dbraw/zinc/64/52/29/719645229.db2.gz NSCBDWPIHBMIAD-UHFFFAOYSA-N 2 1 474.638 3.699 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)c2c1CC[NH2+]C2 ZINC001164679802 719645238 /nfs/dbraw/zinc/64/52/38/719645238.db2.gz NSCBDWPIHBMIAD-UHFFFAOYSA-N 2 1 474.638 3.699 20 0 JHADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)c2ccccc21 ZINC001164684291 719673180 /nfs/dbraw/zinc/67/31/80/719673180.db2.gz SXKFHXRWQGINJO-JOCHJYFZSA-N 2 1 476.669 3.560 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813932 720236436 /nfs/dbraw/zinc/23/64/36/720236436.db2.gz RWNBRFVOABOPGQ-UHFFFAOYSA-N 2 1 495.697 3.711 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1C ZINC001164813932 720236443 /nfs/dbraw/zinc/23/64/43/720236443.db2.gz RWNBRFVOABOPGQ-UHFFFAOYSA-N 2 1 495.697 3.711 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1 ZINC001164843457 720744081 /nfs/dbraw/zinc/74/40/81/720744081.db2.gz KCWKEWKEYAALSN-HSZRJFAPSA-N 2 1 457.626 3.986 20 0 JHADMP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164862174 720875919 /nfs/dbraw/zinc/87/59/19/720875919.db2.gz RATHQOHYXSLMAW-RBBKRZOGSA-N 2 1 499.725 3.730 20 0 JHADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)CC[C@H]2C1 ZINC001164862174 720875924 /nfs/dbraw/zinc/87/59/24/720875924.db2.gz RATHQOHYXSLMAW-RBBKRZOGSA-N 2 1 499.725 3.730 20 0 JHADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755858 720881683 /nfs/dbraw/zinc/88/16/83/720881683.db2.gz ZDJNNFKSVXUJFX-KCWPFWIISA-N 2 1 497.087 3.747 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869452 721071094 /nfs/dbraw/zinc/07/10/94/721071094.db2.gz STYOVJIPQXFJDU-FTJBHMTQSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869452 721071101 /nfs/dbraw/zinc/07/11/01/721071101.db2.gz STYOVJIPQXFJDU-FTJBHMTQSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164869452 721071106 /nfs/dbraw/zinc/07/11/06/721071106.db2.gz STYOVJIPQXFJDU-FTJBHMTQSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[NH+]2CCc3nc(N4CC[N@H+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869457 721071363 /nfs/dbraw/zinc/07/13/63/721071363.db2.gz STYOVJIPQXFJDU-UIOOFZCWSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869457 721071367 /nfs/dbraw/zinc/07/13/67/721071367.db2.gz STYOVJIPQXFJDU-UIOOFZCWSA-N 2 1 455.606 3.515 20 0 JHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+]5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164869457 721071370 /nfs/dbraw/zinc/07/13/70/721071370.db2.gz STYOVJIPQXFJDU-UIOOFZCWSA-N 2 1 455.606 3.515 20 0 JHADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866721 721195317 /nfs/dbraw/zinc/19/53/17/721195317.db2.gz CHJHCRVCZHDANG-LEWJYISDSA-N 2 1 475.971 3.531 20 0 JHADMP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164947677 721979352 /nfs/dbraw/zinc/97/93/52/721979352.db2.gz ILIXHXICELZCTC-UHFFFAOYSA-N 2 1 455.606 3.806 20 0 JHADMP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164947677 721979354 /nfs/dbraw/zinc/97/93/54/721979354.db2.gz ILIXHXICELZCTC-UHFFFAOYSA-N 2 1 455.606 3.806 20 0 JHADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340874 /nfs/dbraw/zinc/34/08/74/1069340874.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340890 /nfs/dbraw/zinc/34/08/90/1069340890.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 2 1 455.691 3.620 20 0 JHADMP CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001311357380 1069340907 /nfs/dbraw/zinc/34/09/07/1069340907.db2.gz HHBJBCYMGXGGTH-BVAGGSTKSA-N 2 1 455.691 3.620 20 0 JHADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001311379584 1069353298 /nfs/dbraw/zinc/35/32/98/1069353298.db2.gz DGGRXBRHOZORLW-DNQXCXABSA-N 2 1 455.691 3.849 20 0 JHADMP CCCC[N@@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001306681770 1069411131 /nfs/dbraw/zinc/41/11/31/1069411131.db2.gz UATPGGKBIQTBHO-JAXLGGSGSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001306681770 1069411135 /nfs/dbraw/zinc/41/11/35/1069411135.db2.gz UATPGGKBIQTBHO-JAXLGGSGSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[NH+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001306681770 1069411142 /nfs/dbraw/zinc/41/11/42/1069411142.db2.gz UATPGGKBIQTBHO-JAXLGGSGSA-N 2 1 458.626 3.962 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001306683762 1069418089 /nfs/dbraw/zinc/41/80/89/1069418089.db2.gz CQLDPLOMRYCMFZ-UHFFFAOYSA-N 2 1 465.621 3.923 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001306683762 1069418095 /nfs/dbraw/zinc/41/80/95/1069418095.db2.gz CQLDPLOMRYCMFZ-UHFFFAOYSA-N 2 1 465.621 3.923 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001306683762 1069418100 /nfs/dbraw/zinc/41/81/00/1069418100.db2.gz CQLDPLOMRYCMFZ-UHFFFAOYSA-N 2 1 465.621 3.923 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001306722426 1069460507 /nfs/dbraw/zinc/46/05/07/1069460507.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722426 1069460515 /nfs/dbraw/zinc/46/05/15/1069460515.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 2 1 459.727 3.662 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001306722426 1069460522 /nfs/dbraw/zinc/46/05/22/1069460522.db2.gz LBGBZFBDJMYINL-WXFUMESZSA-N 2 1 459.727 3.662 20 0 JHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819245 1069559403 /nfs/dbraw/zinc/55/94/03/1069559403.db2.gz HSGLXZZLGMBGNM-NZQKXSOJSA-N 2 1 453.606 3.554 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781148 1069578899 /nfs/dbraw/zinc/57/88/99/1069578899.db2.gz HDJVNHOEDGCZQO-QPTUXGOLSA-N 2 1 460.711 3.851 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCSCC2)C1 ZINC001306781122 1069578324 /nfs/dbraw/zinc/57/83/24/1069578324.db2.gz RVKJQPLIPIQECG-IBGZPJMESA-N 2 1 463.095 3.815 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001306784910 1069585993 /nfs/dbraw/zinc/58/59/93/1069585993.db2.gz OZQXIQXEJZSQOA-TZIWHRDSSA-N 2 1 453.660 3.873 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(CC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001306787380 1069591228 /nfs/dbraw/zinc/59/12/28/1069591228.db2.gz CCCHFHVTJCVGEX-QHCPKHFHSA-N 2 1 453.679 3.956 20 0 JHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001311886390 1069597516 /nfs/dbraw/zinc/59/75/16/1069597516.db2.gz IEEJNSXOKZHVGA-IBGZPJMESA-N 2 1 451.453 3.833 20 0 JHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001311886390 1069597522 /nfs/dbraw/zinc/59/75/22/1069597522.db2.gz IEEJNSXOKZHVGA-IBGZPJMESA-N 2 1 451.453 3.833 20 0 JHADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC001306805303 1069615766 /nfs/dbraw/zinc/61/57/66/1069615766.db2.gz XVDWIIJEUDNZHI-UPVQGACJSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001306805303 1069615768 /nfs/dbraw/zinc/61/57/68/1069615768.db2.gz XVDWIIJEUDNZHI-UPVQGACJSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[NH+](CC)CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001306805303 1069615773 /nfs/dbraw/zinc/61/57/73/1069615773.db2.gz XVDWIIJEUDNZHI-UPVQGACJSA-N 2 1 454.663 3.962 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001306806737 1069619476 /nfs/dbraw/zinc/61/94/76/1069619476.db2.gz YICKXUBHEHUBLI-UHFFFAOYSA-N 2 1 485.696 3.811 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306806737 1069619482 /nfs/dbraw/zinc/61/94/82/1069619482.db2.gz YICKXUBHEHUBLI-UHFFFAOYSA-N 2 1 485.696 3.811 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2F)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001306806737 1069619487 /nfs/dbraw/zinc/61/94/87/1069619487.db2.gz YICKXUBHEHUBLI-UHFFFAOYSA-N 2 1 485.696 3.811 20 0 JHADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997581 1069658825 /nfs/dbraw/zinc/65/88/25/1069658825.db2.gz YUSHHDMSFQTPLZ-QHCPKHFHSA-N 2 1 455.691 3.852 20 0 JHADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)CC2)CC1 ZINC001311997581 1069658833 /nfs/dbraw/zinc/65/88/33/1069658833.db2.gz YUSHHDMSFQTPLZ-QHCPKHFHSA-N 2 1 455.691 3.852 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001311998603 1069658920 /nfs/dbraw/zinc/65/89/20/1069658920.db2.gz WOWXWXCYSSZGLP-VRUMLPLGSA-N 2 1 450.627 3.801 20 0 JHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001311998603 1069658924 /nfs/dbraw/zinc/65/89/24/1069658924.db2.gz WOWXWXCYSSZGLP-VRUMLPLGSA-N 2 1 450.627 3.801 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001312065596 1069701122 /nfs/dbraw/zinc/70/11/22/1069701122.db2.gz SVOHXMNNXZEVEH-ZFGGDYGUSA-N 2 1 455.672 3.641 20 0 JHADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001312065596 1069701132 /nfs/dbraw/zinc/70/11/32/1069701132.db2.gz SVOHXMNNXZEVEH-ZFGGDYGUSA-N 2 1 455.672 3.641 20 0 JHADMP CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001307005630 1069701437 /nfs/dbraw/zinc/70/14/37/1069701437.db2.gz YCGHJAGZXDGZAL-HXUWFJFHSA-N 2 1 479.044 3.771 20 0 JHADMP CCC[NH+](CCC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001307005630 1069701443 /nfs/dbraw/zinc/70/14/43/1069701443.db2.gz YCGHJAGZXDGZAL-HXUWFJFHSA-N 2 1 479.044 3.771 20 0 JHADMP CCC[NH+]1CCC(Cn2c(CC)nnc2N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC001307038578 1069761671 /nfs/dbraw/zinc/76/16/71/1069761671.db2.gz IAPWYEIYKIOEOD-NRFANRHFSA-N 2 1 454.663 3.854 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001307046944 1069787713 /nfs/dbraw/zinc/78/77/13/1069787713.db2.gz UJNRYCAGVGWHJC-FGZHOGPDSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001307046944 1069787722 /nfs/dbraw/zinc/78/77/22/1069787722.db2.gz UJNRYCAGVGWHJC-FGZHOGPDSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001307046944 1069787732 /nfs/dbraw/zinc/78/77/32/1069787732.db2.gz UJNRYCAGVGWHJC-FGZHOGPDSA-N 2 1 454.663 3.682 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001307050022 1069799478 /nfs/dbraw/zinc/79/94/78/1069799478.db2.gz QNPIRAAYNJZAJU-UHFFFAOYSA-N 2 1 481.733 3.838 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307052071 1069806518 /nfs/dbraw/zinc/80/65/18/1069806518.db2.gz XXODMVNXGIVICU-RBZQAINGSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001307052071 1069806535 /nfs/dbraw/zinc/80/65/35/1069806535.db2.gz XXODMVNXGIVICU-RBZQAINGSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001307052071 1069806554 /nfs/dbraw/zinc/80/65/54/1069806554.db2.gz XXODMVNXGIVICU-RBZQAINGSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001307054303 1069816518 /nfs/dbraw/zinc/81/65/18/1069816518.db2.gz XTAQZLBAGXVWSX-IBGZPJMESA-N 2 1 459.708 3.676 20 0 JHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC001312266527 1069824516 /nfs/dbraw/zinc/82/45/16/1069824516.db2.gz RWBNHJSSQFAOFP-UTKZUKDTSA-N 2 1 451.453 3.785 20 0 JHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC001312266527 1069824537 /nfs/dbraw/zinc/82/45/37/1069824537.db2.gz RWBNHJSSQFAOFP-UTKZUKDTSA-N 2 1 451.453 3.785 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001307056725 1069829972 /nfs/dbraw/zinc/82/99/72/1069829972.db2.gz FMBWFKXFQWBPJW-DHIUTWEWSA-N 2 1 460.711 3.680 20 0 JHADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057400 1069834203 /nfs/dbraw/zinc/83/42/03/1069834203.db2.gz FGXBDZQJKALXPN-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057400 1069834227 /nfs/dbraw/zinc/83/42/27/1069834227.db2.gz FGXBDZQJKALXPN-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057400 1069834244 /nfs/dbraw/zinc/83/42/44/1069834244.db2.gz FGXBDZQJKALXPN-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001307057400 1069834271 /nfs/dbraw/zinc/83/42/71/1069834271.db2.gz FGXBDZQJKALXPN-XJUOHMSHSA-N 2 1 474.719 3.740 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001314219390 1069862287 /nfs/dbraw/zinc/86/22/87/1069862287.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001314219390 1069862297 /nfs/dbraw/zinc/86/22/97/1069862297.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 2 1 484.689 3.907 20 0 JHADMP CCOc1ccccc1OCc1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+]1CCC[C@H](C)C1 ZINC001314219390 1069862319 /nfs/dbraw/zinc/86/23/19/1069862319.db2.gz YDYQXFCIVFITCV-VABKMULXSA-N 2 1 484.689 3.907 20 0 JHADMP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@]2(C)C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499576 1069975783 /nfs/dbraw/zinc/97/57/83/1069975783.db2.gz KJGCVYQGMGSPGK-RXWNPYQGSA-N 2 1 464.654 3.845 20 0 JHADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499576 1069975795 /nfs/dbraw/zinc/97/57/95/1069975795.db2.gz KJGCVYQGMGSPGK-RXWNPYQGSA-N 2 1 464.654 3.845 20 0 JHADMP C[C@@H]1C[NH+](CCCNC(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCO1 ZINC001312499576 1069975801 /nfs/dbraw/zinc/97/58/01/1069975801.db2.gz KJGCVYQGMGSPGK-RXWNPYQGSA-N 2 1 464.654 3.845 20 0 JHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594554 1070071118 /nfs/dbraw/zinc/07/11/18/1070071118.db2.gz WHOUNLXRHUBRDW-LIKDZFNVSA-N 2 1 453.602 3.883 20 0 JHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC001307594555 1070070586 /nfs/dbraw/zinc/07/05/86/1070070586.db2.gz WHOUNLXRHUBRDW-RFLWCCGPSA-N 2 1 453.602 3.883 20 0 JHADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657054 1070106415 /nfs/dbraw/zinc/10/64/15/1070106415.db2.gz GRWIXLXPCMBOGY-ZZWZOVRCSA-N 2 1 453.627 3.936 20 0 JHADMP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001307657054 1070106423 /nfs/dbraw/zinc/10/64/23/1070106423.db2.gz GRWIXLXPCMBOGY-ZZWZOVRCSA-N 2 1 453.627 3.936 20 0 JHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001313082290 1070244245 /nfs/dbraw/zinc/24/42/45/1070244245.db2.gz ODZGFUUZZBLOND-DHIUTWEWSA-N 2 1 463.066 3.837 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492925 1070406056 /nfs/dbraw/zinc/40/60/56/1070406056.db2.gz BZORYYLUWOAXPO-RCZVLFRGSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492925 1070406059 /nfs/dbraw/zinc/40/60/59/1070406059.db2.gz BZORYYLUWOAXPO-RCZVLFRGSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1CC ZINC001314492925 1070406065 /nfs/dbraw/zinc/40/60/65/1070406065.db2.gz BZORYYLUWOAXPO-RCZVLFRGSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[NH+]2CC)C[C@H]1CC ZINC001314496485 1070418013 /nfs/dbraw/zinc/41/80/13/1070418013.db2.gz RJFIDLLKZKKNJS-PKTZIBPZSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+]2CC)C[C@H]1CC ZINC001314496485 1070418018 /nfs/dbraw/zinc/41/80/18/1070418018.db2.gz RJFIDLLKZKKNJS-PKTZIBPZSA-N 2 1 454.663 3.675 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@H+]2CC)C[C@H]1CC ZINC001314496485 1070418022 /nfs/dbraw/zinc/41/80/22/1070418022.db2.gz RJFIDLLKZKKNJS-PKTZIBPZSA-N 2 1 454.663 3.675 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313575854 1070692081 /nfs/dbraw/zinc/69/20/81/1070692081.db2.gz UJEXQBRQCCMOAU-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP C[NH+](C)[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C1CC1 ZINC001314654225 1070768171 /nfs/dbraw/zinc/76/81/71/1070768171.db2.gz JLBUCWOLWKUAFP-HSZRJFAPSA-N 2 1 454.663 3.550 20 0 JHADMP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C[NH+](C)C ZINC001314667031 1070801040 /nfs/dbraw/zinc/80/10/40/1070801040.db2.gz BMDVOJDQYFIHEU-UHFFFAOYSA-N 2 1 467.662 3.561 20 0 JHADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)C[NH+](C)C ZINC001314667031 1070801067 /nfs/dbraw/zinc/80/10/67/1070801067.db2.gz BMDVOJDQYFIHEU-UHFFFAOYSA-N 2 1 467.662 3.561 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313658952 1070861236 /nfs/dbraw/zinc/86/12/36/1070861236.db2.gz VBXVNEDBCKVGIG-PCCBWWKXSA-N 2 1 468.646 3.967 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313658952 1070861257 /nfs/dbraw/zinc/86/12/57/1070861257.db2.gz VBXVNEDBCKVGIG-PCCBWWKXSA-N 2 1 468.646 3.967 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCCCCC1 ZINC001314712218 1070895349 /nfs/dbraw/zinc/89/53/49/1070895349.db2.gz IESXFGCKDSMQTF-UHFFFAOYSA-N 2 1 486.680 3.679 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(C2CCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314713079 1070900098 /nfs/dbraw/zinc/90/00/98/1070900098.db2.gz CWVMEUVRUWYLAZ-HSZRJFAPSA-N 2 1 460.711 3.851 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001313722933 1071027939 /nfs/dbraw/zinc/02/79/39/1071027939.db2.gz INZRAVHIHHTWIN-DVECYGJZSA-N 2 1 461.054 3.630 20 0 JHADMP CC[N@H+](CCn1c(C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)CCC(F)(F)F ZINC001313804027 1071213668 /nfs/dbraw/zinc/21/36/68/1071213668.db2.gz CCYFFHJTSAPXDI-UHFFFAOYSA-N 2 1 468.568 3.500 20 0 JHADMP CC[N@@H+](CCn1c(C)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1)CCC(F)(F)F ZINC001313804027 1071213679 /nfs/dbraw/zinc/21/36/79/1071213679.db2.gz CCYFFHJTSAPXDI-UHFFFAOYSA-N 2 1 468.568 3.500 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357331 /nfs/dbraw/zinc/35/73/31/1071357331.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357346 /nfs/dbraw/zinc/35/73/46/1071357346.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 2 1 481.689 3.798 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001313858020 1071357359 /nfs/dbraw/zinc/35/73/59/1071357359.db2.gz FBPHXQCVBFBTSJ-PMOQBDJRSA-N 2 1 481.689 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358560 /nfs/dbraw/zinc/35/85/60/1071358560.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358574 /nfs/dbraw/zinc/35/85/74/1071358574.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001313858236 1071358591 /nfs/dbraw/zinc/35/85/91/1071358591.db2.gz ABCGMIDNUJDIMM-PMACEKPBSA-N 2 1 454.619 3.579 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001313860450 1071370150 /nfs/dbraw/zinc/37/01/50/1071370150.db2.gz KZOGXBKBQQOQIF-RZUBCFFCSA-N 2 1 472.678 3.858 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001313865915 1071395273 /nfs/dbraw/zinc/39/52/73/1071395273.db2.gz IWICSRXZRUETOO-SFTDATJTSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412597 /nfs/dbraw/zinc/41/25/97/1071412597.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412600 /nfs/dbraw/zinc/41/26/00/1071412600.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412602 /nfs/dbraw/zinc/41/26/02/1071412602.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412607 /nfs/dbraw/zinc/41/26/07/1071412607.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 2 1 461.054 3.628 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313870587 1071414019 /nfs/dbraw/zinc/41/40/19/1071414019.db2.gz DWVUICDEGXRCQL-AWRGLXIESA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313870587 1071414026 /nfs/dbraw/zinc/41/40/26/1071414026.db2.gz DWVUICDEGXRCQL-AWRGLXIESA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313870588 1071414305 /nfs/dbraw/zinc/41/43/05/1071414305.db2.gz DWVUICDEGXRCQL-DPLHUUCSSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001313870588 1071414308 /nfs/dbraw/zinc/41/43/08/1071414308.db2.gz DWVUICDEGXRCQL-DPLHUUCSSA-N 2 1 489.108 3.798 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313871564 1071417428 /nfs/dbraw/zinc/41/74/28/1071417428.db2.gz UKPLFYBWCMWGRR-ZWKOTPCHSA-N 2 1 479.044 3.767 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428624 /nfs/dbraw/zinc/42/86/24/1071428624.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428631 /nfs/dbraw/zinc/42/86/31/1071428631.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 2 1 461.658 3.703 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313874840 1071428636 /nfs/dbraw/zinc/42/86/36/1071428636.db2.gz OFRNEIQPUDGUOO-VJBWXMMDSA-N 2 1 461.658 3.703 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433480 /nfs/dbraw/zinc/43/34/80/1071433480.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433482 /nfs/dbraw/zinc/43/34/82/1071433482.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 2 1 458.647 3.529 20 0 JHADMP CC(C)[NH+](Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1)C[C@@H]1CCCCO1 ZINC001310493758 1071433485 /nfs/dbraw/zinc/43/34/85/1071433485.db2.gz KZOFYVURUSLSCY-GVAUOCQISA-N 2 1 458.647 3.529 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001313879146 1071447662 /nfs/dbraw/zinc/44/76/62/1071447662.db2.gz YHFMGGLTOOSOFB-TVZXLZGTSA-N 2 1 486.730 3.830 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001313879268 1071449304 /nfs/dbraw/zinc/44/93/04/1071449304.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001313879268 1071449316 /nfs/dbraw/zinc/44/93/16/1071449316.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313879268 1071449324 /nfs/dbraw/zinc/44/93/24/1071449324.db2.gz ZSNWATMVZIYPGK-GIWBLDEGSA-N 2 1 454.663 3.671 20 0 JHADMP CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001313881081 1071454063 /nfs/dbraw/zinc/45/40/63/1071454063.db2.gz PCEAAUJLRLEOFR-FQEVSTJZSA-N 2 1 470.662 3.615 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001313886057 1071468983 /nfs/dbraw/zinc/46/89/83/1071468983.db2.gz LOXXNTVLPFTARZ-IBGZPJMESA-N 2 1 461.054 3.869 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001313886057 1071468987 /nfs/dbraw/zinc/46/89/87/1071468987.db2.gz LOXXNTVLPFTARZ-IBGZPJMESA-N 2 1 461.054 3.869 20 0 JHADMP CC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001313886057 1071468993 /nfs/dbraw/zinc/46/89/93/1071468993.db2.gz LOXXNTVLPFTARZ-IBGZPJMESA-N 2 1 461.054 3.869 20 0 JHADMP CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071556998 /nfs/dbraw/zinc/55/69/98/1071556998.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071557007 /nfs/dbraw/zinc/55/70/07/1071557007.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 2 1 473.754 3.908 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001313919435 1071557015 /nfs/dbraw/zinc/55/70/15/1071557015.db2.gz BMIHBPFGFYRTGF-BJKOFHAPSA-N 2 1 473.754 3.908 20 0 JHADMP CC[NH+]1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574821 /nfs/dbraw/zinc/57/48/21/1071574821.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 2 1 495.760 3.790 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574825 /nfs/dbraw/zinc/57/48/25/1071574825.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 2 1 495.760 3.790 20 0 JHADMP CCN1CC[NH+]([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313926024 1071574828 /nfs/dbraw/zinc/57/48/28/1071574828.db2.gz DKXIFBGMGSWNRZ-VWLOTQADSA-N 2 1 495.760 3.790 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001313928383 1071583813 /nfs/dbraw/zinc/58/38/13/1071583813.db2.gz BNTSAHQPHIWFRM-UPVQGACJSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930246 1071588864 /nfs/dbraw/zinc/58/88/64/1071588864.db2.gz AOVGJRGCJZBCAU-NQIIRXRSSA-N 2 1 492.510 3.697 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934206 1071601148 /nfs/dbraw/zinc/60/11/48/1071601148.db2.gz QNJWAUQIKHSZAV-MSOLQXFVSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC001313934210 1071601848 /nfs/dbraw/zinc/60/18/48/1071601848.db2.gz QNJWAUQIKHSZAV-ROUUACIJSA-N 2 1 478.483 3.831 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001313934987 1071604295 /nfs/dbraw/zinc/60/42/95/1071604295.db2.gz UKJKECHEHKZOTF-RDPSFJRHSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313936635 1071609071 /nfs/dbraw/zinc/60/90/71/1071609071.db2.gz HDNBRPKPZSPFBL-YPAWHYETSA-N 2 1 491.725 3.653 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613955 /nfs/dbraw/zinc/61/39/55/1071613955.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613958 /nfs/dbraw/zinc/61/39/58/1071613958.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001313939925 1071613963 /nfs/dbraw/zinc/61/39/63/1071613963.db2.gz HVAJCPAXVPUPDC-SFTDATJTSA-N 2 1 452.672 3.981 20 0 JHADMP CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC001313940328 1071615037 /nfs/dbraw/zinc/61/50/37/1071615037.db2.gz VWAPOYUKCMTORL-DENIHFKCSA-N 2 1 455.676 3.959 20 0 JHADMP CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313946569 1071629081 /nfs/dbraw/zinc/62/90/81/1071629081.db2.gz BLFUUDQTJPNXOW-LADGPHEKSA-N 2 1 486.730 3.766 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313946569 1071629085 /nfs/dbraw/zinc/62/90/85/1071629085.db2.gz BLFUUDQTJPNXOW-LADGPHEKSA-N 2 1 486.730 3.766 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314125139 1072031525 /nfs/dbraw/zinc/03/15/25/1072031525.db2.gz OHDVIKGAZXKWPT-MHZLTWQESA-N 2 1 490.737 3.895 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314125139 1072031532 /nfs/dbraw/zinc/03/15/32/1072031532.db2.gz OHDVIKGAZXKWPT-MHZLTWQESA-N 2 1 490.737 3.895 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314125139 1072031538 /nfs/dbraw/zinc/03/15/38/1072031538.db2.gz OHDVIKGAZXKWPT-MHZLTWQESA-N 2 1 490.737 3.895 20 0 JHADMP CCc1ccc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305926209 1068222261 /nfs/dbraw/zinc/22/22/61/1068222261.db2.gz PNTVJAAQAUWLMA-SZPZYZBQSA-N 2 1 468.690 3.927 20 0 JHADMP CCc1ccc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001305926209 1068222274 /nfs/dbraw/zinc/22/22/74/1068222274.db2.gz PNTVJAAQAUWLMA-SZPZYZBQSA-N 2 1 468.690 3.927 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2C[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC001305930778 1068230369 /nfs/dbraw/zinc/23/03/69/1068230369.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001305930778 1068230375 /nfs/dbraw/zinc/23/03/75/1068230375.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 2 1 468.690 3.783 20 0 JHADMP CCc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@H]3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001305930778 1068230382 /nfs/dbraw/zinc/23/03/82/1068230382.db2.gz YCXQGLZMLDBLTP-SGIRGMQISA-N 2 1 468.690 3.783 20 0 JHADMP CCc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccc2)CCO3)n1CC[NH+](C(C)C)C(C)C ZINC001306176112 1068567392 /nfs/dbraw/zinc/56/73/92/1068567392.db2.gz PNBFSSBMSJKYEX-MHZLTWQESA-N 2 1 468.690 3.831 20 0 JHADMP CCc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccc2)CCO3)n1CC[NH+](C(C)C)C(C)C ZINC001306176112 1068567406 /nfs/dbraw/zinc/56/74/06/1068567406.db2.gz PNBFSSBMSJKYEX-MHZLTWQESA-N 2 1 468.690 3.831 20 0 JHADMP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001306318144 1068740607 /nfs/dbraw/zinc/74/06/07/1068740607.db2.gz FDSRTFMYYCLBHP-NRFANRHFSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001306318144 1068740614 /nfs/dbraw/zinc/74/06/14/1068740614.db2.gz FDSRTFMYYCLBHP-NRFANRHFSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001306318144 1068740620 /nfs/dbraw/zinc/74/06/20/1068740620.db2.gz FDSRTFMYYCLBHP-NRFANRHFSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001306318144 1068740628 /nfs/dbraw/zinc/74/06/28/1068740628.db2.gz FDSRTFMYYCLBHP-NRFANRHFSA-N 2 1 490.096 3.805 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1CCOC ZINC001306387363 1068822065 /nfs/dbraw/zinc/82/20/65/1068822065.db2.gz PPLWXZGIKFKLNF-DEOSSOPVSA-N 2 1 454.663 3.593 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C[C@@H](C)[NH+](C)C)CC[N@H+]1CCOC ZINC001306405624 1068874204 /nfs/dbraw/zinc/87/42/04/1068874204.db2.gz FMRKZTHSXQQXFU-QKNQBKEWSA-N 2 1 474.719 3.629 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306408569 1068885751 /nfs/dbraw/zinc/88/57/51/1068885751.db2.gz KUPPNRDZXXXLCQ-HJNYFJLDSA-N 2 1 490.096 3.517 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC[N@H+]1CCOC ZINC001306447698 1068962333 /nfs/dbraw/zinc/96/23/33/1068962333.db2.gz VNDKURVCJZDNGV-WMTXJRDZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306447698 1068962340 /nfs/dbraw/zinc/96/23/40/1068962340.db2.gz VNDKURVCJZDNGV-WMTXJRDZSA-N 2 1 460.711 3.678 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC[NH+]1CCOC ZINC001306447698 1068962352 /nfs/dbraw/zinc/96/23/52/1068962352.db2.gz VNDKURVCJZDNGV-WMTXJRDZSA-N 2 1 460.711 3.678 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306621272 1069308809 /nfs/dbraw/zinc/30/88/09/1069308809.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306621272 1069308823 /nfs/dbraw/zinc/30/88/23/1069308823.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 2 1 472.678 3.904 20 0 JHADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306621272 1069308840 /nfs/dbraw/zinc/30/88/40/1069308840.db2.gz XOXVYZPIIZQGPI-FUPPJEDESA-N 2 1 472.678 3.904 20 0 JHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680167 719641991 /nfs/dbraw/zinc/64/19/91/719641991.db2.gz QXFRUXHDSYKANH-UHFFFAOYSA-N 2 1 459.623 3.914 20 0 JHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164680167 719641995 /nfs/dbraw/zinc/64/19/95/719641995.db2.gz QXFRUXHDSYKANH-UHFFFAOYSA-N 2 1 459.623 3.914 20 0 JHADMP COc1ccc2nc(C(F)(F)n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(Cl)c2c1 ZINC001164679500 719643183 /nfs/dbraw/zinc/64/31/83/719643183.db2.gz CZUXKILZUDPOQF-UHFFFAOYSA-N 2 1 450.921 3.572 20 0 JHADMP COc1ccc2nc(C(F)(F)n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(Cl)c2c1 ZINC001164679500 719643190 /nfs/dbraw/zinc/64/31/90/719643190.db2.gz CZUXKILZUDPOQF-UHFFFAOYSA-N 2 1 450.921 3.572 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1 ZINC001164831165 720350803 /nfs/dbraw/zinc/35/08/03/720350803.db2.gz XXPIADCGGMLPBC-DSNGMDLFSA-N 2 1 453.675 3.930 20 0 JHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3Cc5nccn5C[C@H](C[NH+](C)C)C3)n2)CCC4)CC1 ZINC001164733537 720524558 /nfs/dbraw/zinc/52/45/58/720524558.db2.gz KVZRVZWUROCJQQ-IBGZPJMESA-N 2 1 479.698 3.806 20 0 JHADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[NH+](Cc4ccccc4)C5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738366 720821325 /nfs/dbraw/zinc/82/13/25/720821325.db2.gz FBOGPNIDCPZKEB-FULLSBAXSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738366 720821326 /nfs/dbraw/zinc/82/13/26/720821326.db2.gz FBOGPNIDCPZKEB-FULLSBAXSA-N 2 1 483.664 3.611 20 0 JHADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c(n4)CC[N@H+](Cc4ccccc4)C5)CC[C@H]3[NH+]2CC2CC2)n1 ZINC001164738366 720821327 /nfs/dbraw/zinc/82/13/27/720821327.db2.gz FBOGPNIDCPZKEB-FULLSBAXSA-N 2 1 483.664 3.611 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771466 721199569 /nfs/dbraw/zinc/19/95/69/721199569.db2.gz QFAHOUXGTOXODX-LEWJYISDSA-N 2 1 465.671 3.596 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771466 721199573 /nfs/dbraw/zinc/19/95/73/721199573.db2.gz QFAHOUXGTOXODX-LEWJYISDSA-N 2 1 465.671 3.596 20 0 JHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3cc(OC)c(OC)cc31)CC2 ZINC001164784489 721461013 /nfs/dbraw/zinc/46/10/13/721461013.db2.gz IKQJEHUROTXDLF-QFIPXVFZSA-N 2 1 469.626 3.986 20 0 JHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2ncccn2)n1 ZINC001164792058 721484613 /nfs/dbraw/zinc/48/46/13/721484613.db2.gz LCXWNZGFCMSEEU-AQNXPRMDSA-N 2 1 481.670 3.703 20 0 JHADMP Cc1ccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960565 722025496 /nfs/dbraw/zinc/02/54/96/722025496.db2.gz KOBDRCGBPTZFNZ-YWEHKCAJSA-N 2 1 470.621 3.788 20 0 JHADMP COc1ccc([C@@H](CNC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350618 1069336808 /nfs/dbraw/zinc/33/68/08/1069336808.db2.gz WKDKCAUAIICQNN-GJZUVCINSA-N 2 1 454.615 3.518 20 0 JHADMP COc1ccc([C@H](CNC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1OC ZINC001311350617 1069337067 /nfs/dbraw/zinc/33/70/67/1069337067.db2.gz WKDKCAUAIICQNN-BKMJKUGQSA-N 2 1 454.615 3.518 20 0 JHADMP CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306654679 1069366349 /nfs/dbraw/zinc/36/63/49/1069366349.db2.gz QZSYSNWBMLCQDB-RPWUZVMVSA-N 2 1 467.706 3.752 20 0 JHADMP CCCC[N@@H+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)CC1 ZINC001306680836 1069408254 /nfs/dbraw/zinc/40/82/54/1069408254.db2.gz TYMACTSRBJDFRD-SANMLTNESA-N 2 1 489.108 3.537 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001306680836 1069408260 /nfs/dbraw/zinc/40/82/60/1069408260.db2.gz TYMACTSRBJDFRD-SANMLTNESA-N 2 1 489.108 3.537 20 0 JHADMP CCCC[NH+](C)CC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001306680836 1069408266 /nfs/dbraw/zinc/40/82/66/1069408266.db2.gz TYMACTSRBJDFRD-SANMLTNESA-N 2 1 489.108 3.537 20 0 JHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[N@H+]1Cc1ccccc1 ZINC001311497961 1069407859 /nfs/dbraw/zinc/40/78/59/1069407859.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 2 1 450.627 3.758 20 0 JHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC001311497961 1069407861 /nfs/dbraw/zinc/40/78/61/1069407861.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 2 1 450.627 3.758 20 0 JHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C[NH+]1Cc1ccccc1 ZINC001311497961 1069407866 /nfs/dbraw/zinc/40/78/66/1069407866.db2.gz SHFMDCKHMIXCES-BTKWVRSESA-N 2 1 450.627 3.758 20 0 JHADMP CCCC[N@@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001306686495 1069423110 /nfs/dbraw/zinc/42/31/10/1069423110.db2.gz DCNPSJSFSWKYDV-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001306686495 1069423112 /nfs/dbraw/zinc/42/31/12/1069423112.db2.gz DCNPSJSFSWKYDV-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP CCCC[NH+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001306686495 1069423118 /nfs/dbraw/zinc/42/31/18/1069423118.db2.gz DCNPSJSFSWKYDV-PKTZIBPZSA-N 2 1 454.663 3.879 20 0 JHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC001311573219 1069444439 /nfs/dbraw/zinc/44/44/39/1069444439.db2.gz USRNLCJFZFQGKN-NZQKXSOJSA-N 2 1 455.672 3.561 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306726017 1069467847 /nfs/dbraw/zinc/46/78/47/1069467847.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306726017 1069467855 /nfs/dbraw/zinc/46/78/55/1069467855.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306726017 1069467858 /nfs/dbraw/zinc/46/78/58/1069467858.db2.gz JFAZMYGIAUQPJQ-AOHZBQACSA-N 2 1 453.679 3.837 20 0 JHADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306727078 1069471085 /nfs/dbraw/zinc/47/10/85/1069471085.db2.gz CQFXWNJZJGXSQS-VXNXHJTFSA-N 2 1 476.710 3.577 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306727078 1069471088 /nfs/dbraw/zinc/47/10/88/1069471088.db2.gz CQFXWNJZJGXSQS-VXNXHJTFSA-N 2 1 476.710 3.577 20 0 JHADMP CCCC[NH+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306727078 1069471094 /nfs/dbraw/zinc/47/10/94/1069471094.db2.gz CQFXWNJZJGXSQS-VXNXHJTFSA-N 2 1 476.710 3.577 20 0 JHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671830 1069498013 /nfs/dbraw/zinc/49/80/13/1069498013.db2.gz GXCNFLSIRKJQDW-QHAWAJNXSA-N 2 1 450.071 3.518 20 0 JHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001311671830 1069498017 /nfs/dbraw/zinc/49/80/17/1069498017.db2.gz GXCNFLSIRKJQDW-QHAWAJNXSA-N 2 1 450.071 3.518 20 0 JHADMP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)cc1 ZINC001311758456 1069535419 /nfs/dbraw/zinc/53/54/19/1069535419.db2.gz LWYMRGDDRPUWFK-QFQXNSOFSA-N 2 1 450.627 3.727 20 0 JHADMP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001311819246 1069559304 /nfs/dbraw/zinc/55/93/04/1069559304.db2.gz HSGLXZZLGMBGNM-OFNKIYASSA-N 2 1 453.606 3.554 20 0 JHADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[NH+](CC)C2)C1 ZINC001306780015 1069576477 /nfs/dbraw/zinc/57/64/77/1069576477.db2.gz KRPLACYGFNBDBL-RTBURBONSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001306780015 1069576485 /nfs/dbraw/zinc/57/64/85/1069576485.db2.gz KRPLACYGFNBDBL-RTBURBONSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001306780015 1069576493 /nfs/dbraw/zinc/57/64/93/1069576493.db2.gz KRPLACYGFNBDBL-RTBURBONSA-N 2 1 492.510 3.556 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001306786995 1069590601 /nfs/dbraw/zinc/59/06/01/1069590601.db2.gz ZFFYQYJQEWMGGB-ZCYQVOJMSA-N 2 1 468.690 3.778 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001306787019 1069591085 /nfs/dbraw/zinc/59/10/85/1069591085.db2.gz ZMXYYWBCHZOTGN-QFIPXVFZSA-N 2 1 456.704 3.724 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001306802190 1069608208 /nfs/dbraw/zinc/60/82/08/1069608208.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306802190 1069608213 /nfs/dbraw/zinc/60/82/13/1069608213.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306802190 1069608216 /nfs/dbraw/zinc/60/82/16/1069608216.db2.gz HLRUBENIYAKCBJ-SJORKVTESA-N 2 1 466.472 3.687 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001306806275 1069617917 /nfs/dbraw/zinc/61/79/17/1069617917.db2.gz BFVCHILDHDPMRF-GOSISDBHSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001306806275 1069617921 /nfs/dbraw/zinc/61/79/21/1069617921.db2.gz BFVCHILDHDPMRF-GOSISDBHSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001306806275 1069617925 /nfs/dbraw/zinc/61/79/25/1069617925.db2.gz BFVCHILDHDPMRF-GOSISDBHSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001306806275 1069617928 /nfs/dbraw/zinc/61/79/28/1069617928.db2.gz BFVCHILDHDPMRF-GOSISDBHSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001306806276 1069617960 /nfs/dbraw/zinc/61/79/60/1069617960.db2.gz BFVCHILDHDPMRF-SFHVURJKSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001306806276 1069617963 /nfs/dbraw/zinc/61/79/63/1069617963.db2.gz BFVCHILDHDPMRF-SFHVURJKSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001306806276 1069617969 /nfs/dbraw/zinc/61/79/69/1069617969.db2.gz BFVCHILDHDPMRF-SFHVURJKSA-N 2 1 467.445 3.505 20 0 JHADMP CCC[NH+](CC)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001306806276 1069617974 /nfs/dbraw/zinc/61/79/74/1069617974.db2.gz BFVCHILDHDPMRF-SFHVURJKSA-N 2 1 467.445 3.505 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[NH+](CC)C[C@@H]3C)n2C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC001314169067 1069674933 /nfs/dbraw/zinc/67/49/33/1069674933.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H]2CC[NH+](CC)C2)cc1OC ZINC001314169067 1069674935 /nfs/dbraw/zinc/67/49/35/1069674935.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 2 1 470.662 3.613 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2C[C@H]2CC[NH+](CC)C2)cc1OC ZINC001314169067 1069674936 /nfs/dbraw/zinc/67/49/36/1069674936.db2.gz TWJPGTSAJBQZOW-ACRUOGEOSA-N 2 1 470.662 3.613 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026760 1069681071 /nfs/dbraw/zinc/68/10/71/1069681071.db2.gz WDGGOQCQEMAGBD-GSDHBNRESA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001312026760 1069681079 /nfs/dbraw/zinc/68/10/79/1069681079.db2.gz WDGGOQCQEMAGBD-GSDHBNRESA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001312026760 1069681087 /nfs/dbraw/zinc/68/10/87/1069681087.db2.gz WDGGOQCQEMAGBD-GSDHBNRESA-N 2 1 450.627 3.630 20 0 JHADMP CC[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001312026760 1069681094 /nfs/dbraw/zinc/68/10/94/1069681094.db2.gz WDGGOQCQEMAGBD-GSDHBNRESA-N 2 1 450.627 3.630 20 0 JHADMP CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001307032097 1069742998 /nfs/dbraw/zinc/74/29/98/1069742998.db2.gz AIKNTFNWMQXWDX-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001307032097 1069743004 /nfs/dbraw/zinc/74/30/04/1069743004.db2.gz AIKNTFNWMQXWDX-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[NH+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001307032097 1069743017 /nfs/dbraw/zinc/74/30/17/1069743017.db2.gz AIKNTFNWMQXWDX-NRFANRHFSA-N 2 1 454.663 3.996 20 0 JHADMP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001307031585 1069741605 /nfs/dbraw/zinc/74/16/05/1069741605.db2.gz LTCRTZVVPPRPKI-HXUWFJFHSA-N 2 1 490.096 3.520 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001307031585 1069741612 /nfs/dbraw/zinc/74/16/12/1069741612.db2.gz LTCRTZVVPPRPKI-HXUWFJFHSA-N 2 1 490.096 3.520 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC001307041879 1069770626 /nfs/dbraw/zinc/77/06/26/1069770626.db2.gz WCWWJKNXJPLBBJ-XMMPIXPASA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC001307041879 1069770633 /nfs/dbraw/zinc/77/06/33/1069770633.db2.gz WCWWJKNXJPLBBJ-XMMPIXPASA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC001307041879 1069770640 /nfs/dbraw/zinc/77/06/40/1069770640.db2.gz WCWWJKNXJPLBBJ-XMMPIXPASA-N 2 1 453.679 3.552 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001307052870 1069809082 /nfs/dbraw/zinc/80/90/82/1069809082.db2.gz HSQUJOBTAPXPPX-QHCPKHFHSA-N 2 1 470.710 3.571 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC001312423830 1069926684 /nfs/dbraw/zinc/92/66/84/1069926684.db2.gz RROIULBHKTZHQS-QFIPXVFZSA-N 2 1 459.654 3.632 20 0 JHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC001307644739 1070098756 /nfs/dbraw/zinc/09/87/56/1070098756.db2.gz XLRRENUNGNFDPO-UHFFFAOYSA-N 2 1 450.505 3.835 20 0 JHADMP Cc1nn(C)c(=O)c(-c2nc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cs2)c1C ZINC001307643422 1070098498 /nfs/dbraw/zinc/09/84/98/1070098498.db2.gz PDWCDKAKFKTXPH-UHFFFAOYSA-N 2 1 452.628 3.654 20 0 JHADMP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cs2)c1C ZINC001307643422 1070098514 /nfs/dbraw/zinc/09/85/14/1070098514.db2.gz PDWCDKAKFKTXPH-UHFFFAOYSA-N 2 1 452.628 3.654 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[NH+](CC)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314323433 1070108564 /nfs/dbraw/zinc/10/85/64/1070108564.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323433 1070108570 /nfs/dbraw/zinc/10/85/70/1070108570.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC(C)(C)[NH+]1CCc2ccccc2C1 ZINC001314323433 1070108582 /nfs/dbraw/zinc/10/85/82/1070108582.db2.gz RUPZJVZINVPBLI-RTWAWAEBSA-N 2 1 454.663 3.570 20 0 JHADMP CCOCc1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001314347100 1070153605 /nfs/dbraw/zinc/15/36/05/1070153605.db2.gz QIOPLJXVEMXPHJ-UHFFFAOYSA-N 2 1 454.663 3.618 20 0 JHADMP CC[NH+](CC)C1CCN(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC001312854347 1070156936 /nfs/dbraw/zinc/15/69/36/1070156936.db2.gz HABURRXNHMTXRW-UHFFFAOYSA-N 2 1 451.453 3.929 20 0 JHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164952 /nfs/dbraw/zinc/16/49/52/1070164952.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 2 1 454.640 3.731 20 0 JHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164957 /nfs/dbraw/zinc/16/49/57/1070164957.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 2 1 454.640 3.731 20 0 JHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccccc3C(=O)NC3CC3)C2)s1 ZINC001307749554 1070164961 /nfs/dbraw/zinc/16/49/61/1070164961.db2.gz BHKVLGXJHXDKHD-LJQANCHMSA-N 2 1 454.640 3.731 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314395795 1070254110 /nfs/dbraw/zinc/25/41/10/1070254110.db2.gz GYVFRGQCGRWWLM-NFBKMPQASA-N 2 1 468.671 3.890 20 0 JHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC001313152832 1070271360 /nfs/dbraw/zinc/27/13/60/1070271360.db2.gz DCNVCFIWVYOBEM-RPWUZVMVSA-N 2 1 464.601 3.633 20 0 JHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c1 ZINC001308207779 1070341184 /nfs/dbraw/zinc/34/11/84/1070341184.db2.gz XHCYNLJDYLGVQW-UHFFFAOYSA-N 2 1 451.489 3.578 20 0 JHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308280947 1070351287 /nfs/dbraw/zinc/35/12/87/1070351287.db2.gz BJIYZKJAKVSIQY-QFIPXVFZSA-N 2 1 456.635 3.980 20 0 JHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2c(F)cc(Br)cc2F)cc1 ZINC001308281316 1070351629 /nfs/dbraw/zinc/35/16/29/1070351629.db2.gz AOXMRTGICBXXAY-UHFFFAOYSA-N 2 1 452.343 3.843 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001314494605 1070410937 /nfs/dbraw/zinc/41/09/37/1070410937.db2.gz UADOKFLDLDNJJU-UHFFFAOYSA-N 2 1 468.690 3.571 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001314494605 1070410948 /nfs/dbraw/zinc/41/09/48/1070410948.db2.gz UADOKFLDLDNJJU-UHFFFAOYSA-N 2 1 468.690 3.571 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1CC ZINC001314499692 1070428006 /nfs/dbraw/zinc/42/80/06/1070428006.db2.gz DKHJBWJGOVSGHQ-RUZDIDTESA-N 2 1 496.744 3.903 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001309243836 1070638856 /nfs/dbraw/zinc/63/88/56/1070638856.db2.gz JWSBPPTVCIMSIJ-KEVKATSASA-N 2 1 455.668 3.755 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001313574807 1070690246 /nfs/dbraw/zinc/69/02/46/1070690246.db2.gz MLRIAZIFQJFTOV-UHFFFAOYSA-N 2 1 461.658 3.684 20 0 JHADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC001313574232 1070689006 /nfs/dbraw/zinc/68/90/06/1070689006.db2.gz YKBPOAJIBVEAAO-DNQXCXABSA-N 2 1 481.733 3.896 20 0 JHADMP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)C[NH+](C)C ZINC001314663379 1070791610 /nfs/dbraw/zinc/79/16/10/1070791610.db2.gz SXUWXHPNPMGXNS-UHFFFAOYSA-N 2 1 477.097 3.981 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313667525 1070889627 /nfs/dbraw/zinc/88/96/27/1070889627.db2.gz LHKYHPLUGGMAEM-NRFANRHFSA-N 2 1 472.678 3.907 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001313666737 1070885654 /nfs/dbraw/zinc/88/56/54/1070885654.db2.gz IUESOUXTRJWYNE-RTWAWAEBSA-N 2 1 489.108 3.942 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1C(C)(C)C)c1ccco1 ZINC001313672762 1070904754 /nfs/dbraw/zinc/90/47/54/1070904754.db2.gz AWBFCDOHHUKANF-NBGIEHNGSA-N 2 1 458.651 3.553 20 0 JHADMP CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313696470 1070963392 /nfs/dbraw/zinc/96/33/92/1070963392.db2.gz HPLICUDCVUJZKS-KRWDZBQOSA-N 2 1 492.510 3.839 20 0 JHADMP C[N@@H+](CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC001314848459 1071208773 /nfs/dbraw/zinc/20/87/73/1071208773.db2.gz FSKVMENSUPYRDI-UHFFFAOYSA-N 2 1 482.677 3.501 20 0 JHADMP CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)C(C)C ZINC001313812689 1071251586 /nfs/dbraw/zinc/25/15/86/1071251586.db2.gz MWQYMNAIZAWLCV-UHFFFAOYSA-N 2 1 465.621 3.840 20 0 JHADMP CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1)C(C)C ZINC001313812689 1071251589 /nfs/dbraw/zinc/25/15/89/1071251589.db2.gz MWQYMNAIZAWLCV-UHFFFAOYSA-N 2 1 465.621 3.840 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358185 /nfs/dbraw/zinc/35/81/85/1071358185.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358201 /nfs/dbraw/zinc/35/82/01/1071358201.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 2 1 454.619 3.579 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cc4ccccc4o3)n2CCC[N@@H+](C)CCOC)C[C@@H]1C ZINC001313858238 1071358214 /nfs/dbraw/zinc/35/82/14/1071358214.db2.gz ABCGMIDNUJDIMM-VQTJNVASSA-N 2 1 454.619 3.579 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCC2)C[C@H]1C ZINC001313859106 1071361461 /nfs/dbraw/zinc/36/14/61/1071361461.db2.gz DGFADYSXLHOZBB-MSOLQXFVSA-N 2 1 461.452 3.722 20 0 JHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313858870 1071361718 /nfs/dbraw/zinc/36/17/18/1071361718.db2.gz CWIXMIOXSHMZSL-AABGKKOBSA-N 2 1 458.651 3.612 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365346 /nfs/dbraw/zinc/36/53/46/1071365346.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365350 /nfs/dbraw/zinc/36/53/50/1071365350.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365357 /nfs/dbraw/zinc/36/53/57/1071365357.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 2 1 468.690 3.882 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365361 /nfs/dbraw/zinc/36/53/61/1071365361.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 2 1 468.690 3.882 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001313859785 1071366624 /nfs/dbraw/zinc/36/66/24/1071366624.db2.gz ICAOYHHSNOYUQK-WPFOTENUSA-N 2 1 498.716 3.801 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001313860416 1071370021 /nfs/dbraw/zinc/37/00/21/1071370021.db2.gz KLUFOHYZMCUVHS-ILXRZTDVSA-N 2 1 455.470 3.638 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001313861284 1071374369 /nfs/dbraw/zinc/37/43/69/1071374369.db2.gz QCGFUZUVOKHETK-YADHBBJMSA-N 2 1 482.677 3.501 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313863675 1071382464 /nfs/dbraw/zinc/38/24/64/1071382464.db2.gz WJWFYYOWEQSYGP-RTWAWAEBSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001313863675 1071382474 /nfs/dbraw/zinc/38/24/74/1071382474.db2.gz WJWFYYOWEQSYGP-RTWAWAEBSA-N 2 1 478.645 3.661 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380499 /nfs/dbraw/zinc/38/04/99/1071380499.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380506 /nfs/dbraw/zinc/38/05/06/1071380506.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 2 1 458.626 3.959 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001313863211 1071380514 /nfs/dbraw/zinc/38/05/14/1071380514.db2.gz RZGFIWLPWWGWCK-MUGJNUQGSA-N 2 1 458.626 3.959 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405469 /nfs/dbraw/zinc/40/54/69/1071405469.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 2 1 453.679 3.935 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405474 /nfs/dbraw/zinc/40/54/74/1071405474.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 2 1 453.679 3.935 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313868652 1071405476 /nfs/dbraw/zinc/40/54/76/1071405476.db2.gz VPXQMRSJRIMKNL-SKWRMQMOSA-N 2 1 453.679 3.935 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001313868855 1071406467 /nfs/dbraw/zinc/40/64/67/1071406467.db2.gz BNEQVFSGMDGOSQ-SKPFHBQLSA-N 2 1 465.621 3.625 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424811 /nfs/dbraw/zinc/42/48/11/1071424811.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 2 1 467.706 3.939 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424814 /nfs/dbraw/zinc/42/48/14/1071424814.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 2 1 467.706 3.939 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001313873224 1071424815 /nfs/dbraw/zinc/42/48/15/1071424815.db2.gz KIAQLTWJTKFHJP-ACESQOTJSA-N 2 1 467.706 3.939 20 0 JHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC001310490950 1071430043 /nfs/dbraw/zinc/43/00/43/1071430043.db2.gz RREDKTMPFJLYIS-RUZDIDTESA-N 2 1 459.679 3.614 20 0 JHADMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001313898294 1071505181 /nfs/dbraw/zinc/50/51/81/1071505181.db2.gz PSEQEWAOWUJGIR-SFTDATJTSA-N 2 1 489.709 3.612 20 0 JHADMP CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313911591 1071537781 /nfs/dbraw/zinc/53/77/81/1071537781.db2.gz DPDNZSQLGNKQOH-NRFANRHFSA-N 2 1 470.662 3.661 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001313933218 1071596893 /nfs/dbraw/zinc/59/68/93/1071596893.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313933218 1071596894 /nfs/dbraw/zinc/59/68/94/1071596894.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 2 1 491.478 3.731 20 0 JHADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313933218 1071596898 /nfs/dbraw/zinc/59/68/98/1071596898.db2.gz NUGZIRXOFRHRFV-ROUUACIJSA-N 2 1 491.478 3.731 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C[C@@H]1C ZINC001313934719 1071602986 /nfs/dbraw/zinc/60/29/86/1071602986.db2.gz VCVCCTUTSYJMJP-AVRDEDQJSA-N 2 1 452.603 3.688 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001313934494 1071603046 /nfs/dbraw/zinc/60/30/46/1071603046.db2.gz AKRCEMZUVQUYSH-QGZVFWFLSA-N 2 1 479.442 3.863 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609743 /nfs/dbraw/zinc/60/97/43/1071609743.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609746 /nfs/dbraw/zinc/60/97/46/1071609746.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 2 1 470.662 3.613 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001313936862 1071609748 /nfs/dbraw/zinc/60/97/48/1071609748.db2.gz QONDBTSOOQEMMM-NHCUHLMSSA-N 2 1 470.662 3.613 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607245 /nfs/dbraw/zinc/60/72/45/1071607245.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607251 /nfs/dbraw/zinc/60/72/51/1071607251.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 2 1 454.663 3.996 20 0 JHADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313935852 1071607254 /nfs/dbraw/zinc/60/72/54/1071607254.db2.gz JRNTXHJIGKGKTH-VXKWHMMOSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001313942378 1071620150 /nfs/dbraw/zinc/62/01/50/1071620150.db2.gz IFAUDUCJDMJYMJ-PKTZIBPZSA-N 2 1 478.689 3.800 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001313945546 1071626775 /nfs/dbraw/zinc/62/67/75/1071626775.db2.gz QGDFVGQQDKOTFF-HXUWFJFHSA-N 2 1 492.087 3.542 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629777 /nfs/dbraw/zinc/62/97/77/1071629777.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629782 /nfs/dbraw/zinc/62/97/82/1071629782.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 2 1 468.690 3.776 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001313946699 1071629785 /nfs/dbraw/zinc/62/97/85/1071629785.db2.gz TZOZGOIPQPOCOB-ZRBLBEILSA-N 2 1 468.690 3.776 20 0 JHADMP CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635736 /nfs/dbraw/zinc/63/57/36/1071635736.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635740 /nfs/dbraw/zinc/63/57/40/1071635740.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 2 1 486.730 3.766 20 0 JHADMP CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635743 /nfs/dbraw/zinc/63/57/43/1071635743.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 2 1 486.730 3.766 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[NH+](C(C)C)CC3)n2CCC[N@@H+](C)C2CCCCC2)CCOC1 ZINC001314126524 1072035552 /nfs/dbraw/zinc/03/55/52/1072035552.db2.gz RMSGOECRRXSDCM-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126524 1072035558 /nfs/dbraw/zinc/03/55/58/1072035558.db2.gz RMSGOECRRXSDCM-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CCO[C@@]1(c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCC[NH+](C)C2CCCCC2)CCOC1 ZINC001314126524 1072035564 /nfs/dbraw/zinc/03/55/64/1072035564.db2.gz RMSGOECRRXSDCM-SANMLTNESA-N 2 1 476.710 3.505 20 0 JHADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001306319350 1068744755 /nfs/dbraw/zinc/74/47/55/1068744755.db2.gz KMUPEDULDNFCMU-QFIPXVFZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306319825 1068746730 /nfs/dbraw/zinc/74/67/30/1068746730.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001306319825 1068746738 /nfs/dbraw/zinc/74/67/38/1068746738.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@H]1CCCC[NH+]1CCn1c(-c2ccc(C)o2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001306319825 1068746749 /nfs/dbraw/zinc/74/67/49/1068746749.db2.gz NMYNTAJWPLPOLP-VXKWHMMOSA-N 2 1 458.651 3.658 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[NH+](CC(C)C)C2)CC[N@H+]1CCOC ZINC001306406527 1068877076 /nfs/dbraw/zinc/87/70/76/1068877076.db2.gz YZEURNCDEOYRIT-GOTSBHOMSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406527 1068877082 /nfs/dbraw/zinc/87/70/82/1068877082.db2.gz YZEURNCDEOYRIT-GOTSBHOMSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC[NH+]1CCOC ZINC001306406527 1068877085 /nfs/dbraw/zinc/87/70/85/1068877085.db2.gz YZEURNCDEOYRIT-GOTSBHOMSA-N 2 1 472.678 3.762 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306408566 1068886056 /nfs/dbraw/zinc/88/60/56/1068886056.db2.gz KUPPNRDZXXXLCQ-BAGYTPMASA-N 2 1 490.096 3.517 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306412924 1068898981 /nfs/dbraw/zinc/89/89/81/1068898981.db2.gz XQBNFIUNIBPULO-CQOQZXRMSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306412924 1068898993 /nfs/dbraw/zinc/89/89/93/1068898993.db2.gz XQBNFIUNIBPULO-CQOQZXRMSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC[NH+]1CCOC ZINC001306412924 1068899006 /nfs/dbraw/zinc/89/90/06/1068899006.db2.gz XQBNFIUNIBPULO-CQOQZXRMSA-N 2 1 454.663 3.613 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001306420342 1068912977 /nfs/dbraw/zinc/91/29/77/1068912977.db2.gz WAAZSEZXHZHVQR-PKTZIBPZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420342 1068912987 /nfs/dbraw/zinc/91/29/87/1068912987.db2.gz WAAZSEZXHZHVQR-PKTZIBPZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001306420342 1068913000 /nfs/dbraw/zinc/91/30/00/1068913000.db2.gz WAAZSEZXHZHVQR-PKTZIBPZSA-N 2 1 484.689 3.621 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306432353 1068933490 /nfs/dbraw/zinc/93/34/90/1068933490.db2.gz DNMOMYINHAEPJJ-RPBOFIJWSA-N 2 1 482.717 3.936 20 0 JHADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC001306432353 1068933498 /nfs/dbraw/zinc/93/34/98/1068933498.db2.gz DNMOMYINHAEPJJ-RPBOFIJWSA-N 2 1 482.717 3.936 20 0 JHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC001306434748 1068938006 /nfs/dbraw/zinc/93/80/06/1068938006.db2.gz GYUPEILZKHBRPA-DEOSSOPVSA-N 2 1 459.034 3.716 20 0 JHADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001164620792 719017706 /nfs/dbraw/zinc/01/77/06/719017706.db2.gz ZMMDEKYODVNVLV-IZBJGVDFSA-N 2 1 483.682 3.532 20 0 JHADMP C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H](C)C[N@@H+]1C ZINC001164643611 719229392 /nfs/dbraw/zinc/22/93/92/719229392.db2.gz ZPIZVBDQRPLMTG-MSOLQXFVSA-N 2 1 455.002 3.926 20 0 JHADMP C[C@@H]1CN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)[C@@H](C)C[N@H+]1C ZINC001164643611 719229399 /nfs/dbraw/zinc/22/93/99/719229399.db2.gz ZPIZVBDQRPLMTG-MSOLQXFVSA-N 2 1 455.002 3.926 20 0 JHADMP CC(C)[N@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842935 720535147 /nfs/dbraw/zinc/53/51/47/720535147.db2.gz ZASNPHMKPHGPTI-NLJOTIRTSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ncnc4c3CC[NH+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842935 720535151 /nfs/dbraw/zinc/53/51/51/720535151.db2.gz ZASNPHMKPHGPTI-NLJOTIRTSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@@H]2CCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842935 720535153 /nfs/dbraw/zinc/53/51/53/720535153.db2.gz ZASNPHMKPHGPTI-NLJOTIRTSA-N 2 1 471.653 3.609 20 0 JHADMP CC(C)[NH+]1[C@@H]2CCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842935 720535156 /nfs/dbraw/zinc/53/51/56/720535156.db2.gz ZASNPHMKPHGPTI-NLJOTIRTSA-N 2 1 471.653 3.609 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1 ZINC001164897475 721446829 /nfs/dbraw/zinc/44/68/29/721446829.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897475 721446830 /nfs/dbraw/zinc/44/68/30/721446830.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 2 1 455.691 3.784 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164897475 721446831 /nfs/dbraw/zinc/44/68/31/721446831.db2.gz UDQGJRVQQCBJSE-ZWEKWIFMSA-N 2 1 455.691 3.784 20 0 JHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164915141 721786909 /nfs/dbraw/zinc/78/69/09/721786909.db2.gz INERINXSRITQMC-NDEPHWFRSA-N 2 1 469.589 3.587 20 0 JHADMP c1cn(Cc2ccccc2)c2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164915141 721786911 /nfs/dbraw/zinc/78/69/11/721786911.db2.gz INERINXSRITQMC-NDEPHWFRSA-N 2 1 469.589 3.587 20 0 JHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2)cc1 ZINC001164940699 721929418 /nfs/dbraw/zinc/92/94/18/721929418.db2.gz XNABSRSQGCIVSH-UHFFFAOYSA-N 2 1 450.627 3.736 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)nc1 ZINC001164951262 721991293 /nfs/dbraw/zinc/99/12/93/721991293.db2.gz LQONGRYTWWFROG-GZGNHOFSSA-N 2 1 476.687 3.618 20 0 JHADMP Cc1ccc(N(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960563 722025331 /nfs/dbraw/zinc/02/53/31/722025331.db2.gz KOBDRCGBPTZFNZ-RBJSKKJNSA-N 2 1 470.621 3.788 20 0 JHADMP CCCC[N@@H+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306685154 1069420771 /nfs/dbraw/zinc/42/07/71/1069420771.db2.gz WLQCZYJEQQOPKF-HXUWFJFHSA-N 2 1 451.619 3.862 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306685154 1069420777 /nfs/dbraw/zinc/42/07/77/1069420777.db2.gz WLQCZYJEQQOPKF-HXUWFJFHSA-N 2 1 451.619 3.862 20 0 JHADMP CCCC[NH+](C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001306685154 1069420784 /nfs/dbraw/zinc/42/07/84/1069420784.db2.gz WLQCZYJEQQOPKF-HXUWFJFHSA-N 2 1 451.619 3.862 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001311533707 1069426875 /nfs/dbraw/zinc/42/68/75/1069426875.db2.gz OFBANPNIYFQYLU-RTWAWAEBSA-N 2 1 458.569 3.744 20 0 JHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573837 1069445315 /nfs/dbraw/zinc/44/53/15/1069445315.db2.gz XMDXJYSCHOFXSU-NJYVYQBISA-N 2 1 452.496 3.791 20 0 JHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573837 1069445319 /nfs/dbraw/zinc/44/53/19/1069445319.db2.gz XMDXJYSCHOFXSU-NJYVYQBISA-N 2 1 452.496 3.791 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718802 1069517852 /nfs/dbraw/zinc/51/78/52/1069517852.db2.gz JKKQOWWIDZHXLW-WIRSXHRWSA-N 2 1 458.569 3.885 20 0 JHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718802 1069517858 /nfs/dbraw/zinc/51/78/58/1069517858.db2.gz JKKQOWWIDZHXLW-WIRSXHRWSA-N 2 1 458.569 3.885 20 0 JHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001311725263 1069522565 /nfs/dbraw/zinc/52/25/65/1069522565.db2.gz ALOZBXOMFWWQTN-AREMUKBSSA-N 2 1 450.627 3.629 20 0 JHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001306781149 1069578809 /nfs/dbraw/zinc/57/88/09/1069578809.db2.gz HDJVNHOEDGCZQO-QTJGBDASSA-N 2 1 460.711 3.851 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[NH+]4C[C@H]3C)n2CCC[N@@H+](C)C(C)C)cc1OC ZINC001314169815 1069678079 /nfs/dbraw/zinc/67/80/79/1069678079.db2.gz NUBHVOPRNVUQQI-IRLDBZIGSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169815 1069678083 /nfs/dbraw/zinc/67/80/83/1069678083.db2.gz NUBHVOPRNVUQQI-IRLDBZIGSA-N 2 1 470.662 3.756 20 0 JHADMP CCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCC[NH+](C)C(C)C)cc1OC ZINC001314169815 1069678085 /nfs/dbraw/zinc/67/80/85/1069678085.db2.gz NUBHVOPRNVUQQI-IRLDBZIGSA-N 2 1 470.662 3.756 20 0 JHADMP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC001312071985 1069705653 /nfs/dbraw/zinc/70/56/53/1069705653.db2.gz OMOPYLVARDGLPJ-IZZNHLLZSA-N 2 1 461.610 3.948 20 0 JHADMP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC001312071985 1069705665 /nfs/dbraw/zinc/70/56/65/1069705665.db2.gz OMOPYLVARDGLPJ-IZZNHLLZSA-N 2 1 461.610 3.948 20 0 JHADMP CCOc1ccc(-c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314178750 1069716287 /nfs/dbraw/zinc/71/62/87/1069716287.db2.gz GBIWOMIIHYHAPB-NRFANRHFSA-N 2 1 470.662 3.759 20 0 JHADMP CCOc1ccc(C[NH+]2CCN(c3nnc(C(C)C)n3CC[NH+]3CCC(C)CC3)CC2)cc1 ZINC001314189729 1069748158 /nfs/dbraw/zinc/74/81/58/1069748158.db2.gz WPIQARRRWTZWBB-UHFFFAOYSA-N 2 1 454.663 3.854 20 0 JHADMP CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001307037440 1069758366 /nfs/dbraw/zinc/75/83/66/1069758366.db2.gz UUPNDARPWCHXSJ-UHFFFAOYSA-N 2 1 496.704 3.604 20 0 JHADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001307040672 1069766679 /nfs/dbraw/zinc/76/66/79/1069766679.db2.gz PENJYPOCXASCGW-OAQYLSRUSA-N 2 1 473.735 3.924 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001307046237 1069784529 /nfs/dbraw/zinc/78/45/29/1069784529.db2.gz ULHZHDYDGPBKTL-UHFFFAOYSA-N 2 1 461.054 3.631 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC001307052070 1069806462 /nfs/dbraw/zinc/80/64/62/1069806462.db2.gz XXODMVNXGIVICU-KMDXXIMOSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001307052070 1069806477 /nfs/dbraw/zinc/80/64/77/1069806477.db2.gz XXODMVNXGIVICU-KMDXXIMOSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001307052070 1069806492 /nfs/dbraw/zinc/80/64/92/1069806492.db2.gz XXODMVNXGIVICU-KMDXXIMOSA-N 2 1 487.737 3.772 20 0 JHADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCOC3)n2Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC001307055106 1069819364 /nfs/dbraw/zinc/81/93/64/1069819364.db2.gz JXVAAQPDFSKHEF-DEOSSOPVSA-N 2 1 468.690 3.983 20 0 JHADMP CN(C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001312499070 1069974857 /nfs/dbraw/zinc/97/48/57/1069974857.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499070 1069974868 /nfs/dbraw/zinc/97/48/68/1069974868.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 2 1 450.627 3.584 20 0 JHADMP CN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001312499070 1069974879 /nfs/dbraw/zinc/97/48/79/1069974879.db2.gz GMOPXYVQUADZOI-UIOOFZCWSA-N 2 1 450.627 3.584 20 0 JHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001307511000 1070026306 /nfs/dbraw/zinc/02/63/06/1070026306.db2.gz UETDMHCCILRRQS-JOCHJYFZSA-N 2 1 458.474 3.861 20 0 JHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001307511000 1070026316 /nfs/dbraw/zinc/02/63/16/1070026316.db2.gz UETDMHCCILRRQS-JOCHJYFZSA-N 3 1 458.474 3.861 20 0 JHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001307511000 1070026328 /nfs/dbraw/zinc/02/63/28/1070026328.db2.gz UETDMHCCILRRQS-JOCHJYFZSA-N 3 1 458.474 3.861 20 0 JHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001312767937 1070111997 /nfs/dbraw/zinc/11/19/97/1070111997.db2.gz MGQAQQVLTBZSLX-VGPBXHGJSA-N 3 1 455.691 3.630 20 0 JHADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001312767937 1070112008 /nfs/dbraw/zinc/11/20/08/1070112008.db2.gz MGQAQQVLTBZSLX-VGPBXHGJSA-N 3 1 455.691 3.630 20 0 JHADMP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001312767937 1070112019 /nfs/dbraw/zinc/11/20/19/1070112019.db2.gz MGQAQQVLTBZSLX-VGPBXHGJSA-N 3 1 455.691 3.630 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001307671514 1070115444 /nfs/dbraw/zinc/11/54/44/1070115444.db2.gz XJTZWTSZMMMZHP-FTRWYGJKSA-N 2 1 452.521 3.535 20 0 JHADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307671514 1070115449 /nfs/dbraw/zinc/11/54/49/1070115449.db2.gz XJTZWTSZMMMZHP-FTRWYGJKSA-N 2 1 452.521 3.535 20 0 JHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707963 1070137695 /nfs/dbraw/zinc/13/76/95/1070137695.db2.gz RHYCBKURIALTLY-NYVOZVTQSA-N 2 1 455.565 3.923 20 0 JHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707963 1070137701 /nfs/dbraw/zinc/13/77/01/1070137701.db2.gz RHYCBKURIALTLY-NYVOZVTQSA-N 2 1 455.565 3.923 20 0 JHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707964 1070138060 /nfs/dbraw/zinc/13/80/60/1070138060.db2.gz RHYCBKURIALTLY-YUXAGFNASA-N 2 1 455.565 3.923 20 0 JHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)[C@@H](C)C1 ZINC001307707964 1070138071 /nfs/dbraw/zinc/13/80/71/1070138071.db2.gz RHYCBKURIALTLY-YUXAGFNASA-N 2 1 455.565 3.923 20 0 JHADMP CCOCc1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001314388530 1070238745 /nfs/dbraw/zinc/23/87/45/1070238745.db2.gz KWYAJEVTBVUJDU-FQEVSTJZSA-N 2 1 468.671 3.869 20 0 JHADMP COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCCC3CC[NH+](C(C)C)CC3)CC2)c1C ZINC001313093344 1070249143 /nfs/dbraw/zinc/24/91/43/1070249143.db2.gz ZUDMXHVXVMPHQN-UHFFFAOYSA-N 2 1 459.679 3.823 20 0 JHADMP CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314395801 1070254911 /nfs/dbraw/zinc/25/49/11/1070254911.db2.gz GYVFRGQCGRWWLM-REWPJTCUSA-N 2 1 468.671 3.890 20 0 JHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC001313265032 1070309647 /nfs/dbraw/zinc/30/96/47/1070309647.db2.gz FZNSYNOOEKKPES-UHFFFAOYSA-N 2 1 456.675 3.965 20 0 JHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCOCC1 ZINC001313265032 1070309669 /nfs/dbraw/zinc/30/96/69/1070309669.db2.gz FZNSYNOOEKKPES-UHFFFAOYSA-N 2 1 456.675 3.965 20 0 JHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCOCC1 ZINC001313265032 1070309692 /nfs/dbraw/zinc/30/96/92/1070309692.db2.gz FZNSYNOOEKKPES-UHFFFAOYSA-N 2 1 456.675 3.965 20 0 JHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308280946 1070351075 /nfs/dbraw/zinc/35/10/75/1070351075.db2.gz BJIYZKJAKVSIQY-JOCHJYFZSA-N 2 1 456.635 3.980 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313451665 1070380649 /nfs/dbraw/zinc/38/06/49/1070380649.db2.gz AZRULXBIGWGTSY-QHCPKHFHSA-N 2 1 454.663 3.695 20 0 JHADMP CCC[N@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313451665 1070380616 /nfs/dbraw/zinc/38/06/16/1070380616.db2.gz AZRULXBIGWGTSY-QHCPKHFHSA-N 2 1 454.663 3.695 20 0 JHADMP CCC[NH+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313451665 1070380633 /nfs/dbraw/zinc/38/06/33/1070380633.db2.gz AZRULXBIGWGTSY-QHCPKHFHSA-N 2 1 454.663 3.695 20 0 JHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001308600129 1070398196 /nfs/dbraw/zinc/39/81/96/1070398196.db2.gz XDFHXSCXWHZGDL-UHFFFAOYSA-N 2 1 450.425 3.600 20 0 JHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC001308600129 1070398213 /nfs/dbraw/zinc/39/82/13/1070398213.db2.gz XDFHXSCXWHZGDL-UHFFFAOYSA-N 2 1 450.425 3.600 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492927 1070406146 /nfs/dbraw/zinc/40/61/46/1070406146.db2.gz BZORYYLUWOAXPO-RDGATRHJSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492927 1070406149 /nfs/dbraw/zinc/40/61/49/1070406149.db2.gz BZORYYLUWOAXPO-RDGATRHJSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1CC ZINC001314492927 1070406154 /nfs/dbraw/zinc/40/61/54/1070406154.db2.gz BZORYYLUWOAXPO-RDGATRHJSA-N 2 1 468.690 3.785 20 0 JHADMP CCOCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cc[nH+]c2C)C[C@H]1CC ZINC001314496502 1070418044 /nfs/dbraw/zinc/41/80/44/1070418044.db2.gz RKOLZHVCSMBRJD-HXUWFJFHSA-N 2 1 472.037 3.741 20 0 JHADMP CCOCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CCn2cc[nH+]c2C)C[C@H]1CC ZINC001314496502 1070418047 /nfs/dbraw/zinc/41/80/47/1070418047.db2.gz RKOLZHVCSMBRJD-HXUWFJFHSA-N 2 1 472.037 3.741 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001314496777 1070418833 /nfs/dbraw/zinc/41/88/33/1070418833.db2.gz UNOKCGBHCAVROY-FGZHOGPDSA-N 2 1 483.705 3.564 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314497004 1070419778 /nfs/dbraw/zinc/41/97/78/1070419778.db2.gz VRZCQMJCKIBQPN-QFIPXVFZSA-N 2 1 472.653 3.611 20 0 JHADMP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314497004 1070419783 /nfs/dbraw/zinc/41/97/83/1070419783.db2.gz VRZCQMJCKIBQPN-QFIPXVFZSA-N 2 1 472.653 3.611 20 0 JHADMP Cc1ccc([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001309200714 1070601251 /nfs/dbraw/zinc/60/12/51/1070601251.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 2 1 455.668 3.566 20 0 JHADMP Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001309200714 1070601258 /nfs/dbraw/zinc/60/12/58/1070601258.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 2 1 455.668 3.566 20 0 JHADMP Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC001309200714 1070601268 /nfs/dbraw/zinc/60/12/68/1070601268.db2.gz GWOJYSHHJFSDII-AYRHNUGRSA-N 2 1 455.668 3.566 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313661312 1070867844 /nfs/dbraw/zinc/86/78/44/1070867844.db2.gz DLPQCYREVVYVCX-PCCBWWKXSA-N 2 1 467.662 3.702 20 0 JHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313661312 1070867869 /nfs/dbraw/zinc/86/78/69/1070867869.db2.gz DLPQCYREVVYVCX-PCCBWWKXSA-N 2 1 467.662 3.702 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC001313663705 1070873803 /nfs/dbraw/zinc/87/38/03/1070873803.db2.gz GSJZEDRKFMVDLE-VWLOTQADSA-N 2 1 495.716 3.954 20 0 JHADMP CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001313664562 1070877477 /nfs/dbraw/zinc/87/74/77/1070877477.db2.gz MLLBLKIMZNIAHN-ZEQRLZLVSA-N 2 1 454.663 3.786 20 0 JHADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313711974 1071007695 /nfs/dbraw/zinc/00/76/95/1071007695.db2.gz JTWMDFGJPXERSP-DHIUTWEWSA-N 2 1 453.679 3.552 20 0 JHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC001310239040 1071228631 /nfs/dbraw/zinc/22/86/31/1071228631.db2.gz JTNTVLTWFMOEBC-QGZVFWFLSA-N 2 1 454.497 3.635 20 0 JHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)CCC(F)(F)F ZINC001313814804 1071259142 /nfs/dbraw/zinc/25/91/42/1071259142.db2.gz JZFNMCGUTVFVDU-UHFFFAOYSA-N 2 1 486.627 3.759 20 0 JHADMP CC[N@@H+](CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](C)CC1)C(C)C ZINC001313820447 1071278160 /nfs/dbraw/zinc/27/81/60/1071278160.db2.gz VZROYKSFFQFWCG-VWLOTQADSA-N 2 1 481.733 4.000 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001313863346 1071381535 /nfs/dbraw/zinc/38/15/35/1071381535.db2.gz DBRRFDVMGDWNMP-JTAQYXEDSA-N 2 1 475.081 3.874 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC001313864829 1071389331 /nfs/dbraw/zinc/38/93/31/1071389331.db2.gz CKJNCDXWPWGJGH-ZQRMPTRQSA-N 2 1 454.663 3.702 20 0 JHADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313866145 1071395298 /nfs/dbraw/zinc/39/52/98/1071395298.db2.gz DCRCZJGUEBKEBM-ROUUACIJSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2cc[nH+]c2C)C[C@@H]1C ZINC001313866145 1071395308 /nfs/dbraw/zinc/39/53/08/1071395308.db2.gz DCRCZJGUEBKEBM-ROUUACIJSA-N 2 1 456.664 3.538 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313868811 1071403251 /nfs/dbraw/zinc/40/32/51/1071403251.db2.gz BEJKYRLKEWWNOR-NHCUHLMSSA-N 2 1 486.680 3.816 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313868815 1071403283 /nfs/dbraw/zinc/40/32/83/1071403283.db2.gz BEJKYRLKEWWNOR-SFTDATJTSA-N 2 1 486.680 3.816 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CC(C)(C)C[NH+](C)C)C[C@@H]1C ZINC001313871101 1071415903 /nfs/dbraw/zinc/41/59/03/1071415903.db2.gz WWGLXJFHSRIYGL-LEWJYISDSA-N 2 1 451.663 3.788 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C[C@H]1C ZINC001313872807 1071421999 /nfs/dbraw/zinc/42/19/99/1071421999.db2.gz XIZKWPBUFKVKRR-YADHBBJMSA-N 2 1 460.711 3.819 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC001313873705 1071425748 /nfs/dbraw/zinc/42/57/48/1071425748.db2.gz LPHVIGYVIUDNNS-OTNCWRBYSA-N 2 1 461.658 3.794 20 0 JHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432726 /nfs/dbraw/zinc/43/27/26/1071432726.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432729 /nfs/dbraw/zinc/43/27/29/1071432729.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 2 1 453.679 3.837 20 0 JHADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001313875304 1071432731 /nfs/dbraw/zinc/43/27/31/1071432731.db2.gz PVIKPYMJQIEMJX-FCHUYYIVSA-N 2 1 453.679 3.837 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443939 /nfs/dbraw/zinc/44/39/39/1071443939.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443946 /nfs/dbraw/zinc/44/39/46/1071443946.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 2 1 454.663 3.993 20 0 JHADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001313877958 1071443949 /nfs/dbraw/zinc/44/39/49/1071443949.db2.gz YAOQUWYXVRGFNI-CMOCDZPBSA-N 2 1 454.663 3.993 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313879144 1071447588 /nfs/dbraw/zinc/44/75/88/1071447588.db2.gz YHFMGGLTOOSOFB-AOJNWGRGSA-N 2 1 486.730 3.830 20 0 JHADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001313886303 1071469853 /nfs/dbraw/zinc/46/98/53/1071469853.db2.gz RKIRXANBWLSVJD-CIAFKFPVSA-N 2 1 492.778 3.943 20 0 JHADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001313892349 1071487875 /nfs/dbraw/zinc/48/78/75/1071487875.db2.gz DWLSQMBLPDOZDN-QFIPXVFZSA-N 2 1 454.663 3.996 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001313907825 1071528637 /nfs/dbraw/zinc/52/86/37/1071528637.db2.gz BXLOXFGINSQVQV-HSZRJFAPSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313907825 1071528645 /nfs/dbraw/zinc/52/86/45/1071528645.db2.gz BXLOXFGINSQVQV-HSZRJFAPSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001313907825 1071528657 /nfs/dbraw/zinc/52/86/57/1071528657.db2.gz BXLOXFGINSQVQV-HSZRJFAPSA-N 2 1 460.711 3.680 20 0 JHADMP CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001313913622 1071543598 /nfs/dbraw/zinc/54/35/98/1071543598.db2.gz KWECLFQSBCPNAA-DNVJHFABSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001313913622 1071543607 /nfs/dbraw/zinc/54/36/07/1071543607.db2.gz KWECLFQSBCPNAA-DNVJHFABSA-N 2 1 460.711 3.992 20 0 JHADMP CC[NH+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313913622 1071543623 /nfs/dbraw/zinc/54/36/23/1071543623.db2.gz KWECLFQSBCPNAA-DNVJHFABSA-N 2 1 460.711 3.992 20 0 JHADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001313923923 1071568823 /nfs/dbraw/zinc/56/88/23/1071568823.db2.gz BBDAURNDGLCHLR-LJQANCHMSA-N 2 1 492.087 3.684 20 0 JHADMP CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313931298 1071592105 /nfs/dbraw/zinc/59/21/05/1071592105.db2.gz QVXZTSGVGGJTBI-ZWKOTPCHSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001313931298 1071592113 /nfs/dbraw/zinc/59/21/13/1071592113.db2.gz QVXZTSGVGGJTBI-ZWKOTPCHSA-N 2 1 458.010 3.807 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001313930248 1071588798 /nfs/dbraw/zinc/58/87/98/1071588798.db2.gz AOVGJRGCJZBCAU-WIYYLYMNSA-N 2 1 492.510 3.697 20 0 JHADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071591997 /nfs/dbraw/zinc/59/19/97/1071591997.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071592007 /nfs/dbraw/zinc/59/20/07/1071592007.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001313931189 1071592017 /nfs/dbraw/zinc/59/20/17/1071592017.db2.gz BKABDMYQDCDTIW-XZOQPEGZSA-N 2 1 481.689 3.942 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001313934749 1071603639 /nfs/dbraw/zinc/60/36/39/1071603639.db2.gz VLJAVSDSRWPIBO-NRFANRHFSA-N 2 1 468.690 3.884 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001313934261 1071601905 /nfs/dbraw/zinc/60/19/05/1071601905.db2.gz SUGBYZUHCQQPAH-YWZLYKJASA-N 2 1 499.548 3.737 20 0 JHADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC001313936849 1071609720 /nfs/dbraw/zinc/60/97/20/1071609720.db2.gz QMFLJHGNEUPGKH-FQEVSTJZSA-N 2 1 470.662 3.757 20 0 JHADMP CC[N@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622672 /nfs/dbraw/zinc/62/26/72/1071622672.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622674 /nfs/dbraw/zinc/62/26/74/1071622674.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622676 /nfs/dbraw/zinc/62/26/76/1071622676.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 2 1 484.689 3.504 20 0 JHADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001313947516 1071632176 /nfs/dbraw/zinc/63/21/76/1071632176.db2.gz BASLWVBYXWNUDQ-AREMUKBSSA-N 2 1 481.733 3.512 20 0 JHADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632925 /nfs/dbraw/zinc/63/29/25/1071632925.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632930 /nfs/dbraw/zinc/63/29/30/1071632930.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313947786 1071632934 /nfs/dbraw/zinc/63/29/34/1071632934.db2.gz ZGPOAVVJIIPEJJ-NRFANRHFSA-N 2 1 454.663 3.530 20 0 JHADMP CCN1CC[NH+](C[C@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951507 1071642345 /nfs/dbraw/zinc/64/23/45/1071642345.db2.gz JAHIOSFZNSZFBT-DQEYMECFSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@H](C)[N@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951507 1071642349 /nfs/dbraw/zinc/64/23/49/1071642349.db2.gz JAHIOSFZNSZFBT-DQEYMECFSA-N 2 1 495.760 3.950 20 0 JHADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951507 1071642356 /nfs/dbraw/zinc/64/23/56/1071642356.db2.gz JAHIOSFZNSZFBT-DQEYMECFSA-N 2 1 495.760 3.950 20 0 JHADMP CCN1CC[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313953055 1071647084 /nfs/dbraw/zinc/64/70/84/1071647084.db2.gz AFOZOTTVPBBOAK-UHFFFAOYSA-N 2 1 459.727 3.664 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001313953055 1071647090 /nfs/dbraw/zinc/64/70/90/1071647090.db2.gz AFOZOTTVPBBOAK-UHFFFAOYSA-N 2 1 459.727 3.664 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001313953055 1071647095 /nfs/dbraw/zinc/64/70/95/1071647095.db2.gz AFOZOTTVPBBOAK-UHFFFAOYSA-N 2 1 459.727 3.664 20 0 JHADMP CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313955149 1071654770 /nfs/dbraw/zinc/65/47/70/1071654770.db2.gz XZISSGNCIGHOBV-DQEYMECFSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001313955149 1071654775 /nfs/dbraw/zinc/65/47/75/1071654775.db2.gz XZISSGNCIGHOBV-DQEYMECFSA-N 2 1 481.733 3.514 20 0 JHADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001313955149 1071654780 /nfs/dbraw/zinc/65/47/80/1071654780.db2.gz XZISSGNCIGHOBV-DQEYMECFSA-N 2 1 481.733 3.514 20 0 JHADMP CCc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001305948386 1068268873 /nfs/dbraw/zinc/26/88/73/1068268873.db2.gz URWHHDAILXTBQT-UHFFFAOYSA-N 2 1 481.733 3.559 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305985368 1068334835 /nfs/dbraw/zinc/33/48/35/1068334835.db2.gz NKKGZKDKCJHZLL-QFIPXVFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C ZINC001305985368 1068334849 /nfs/dbraw/zinc/33/48/49/1068334849.db2.gz NKKGZKDKCJHZLL-QFIPXVFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCC[C@@H]1C ZINC001305985368 1068334863 /nfs/dbraw/zinc/33/48/63/1068334863.db2.gz NKKGZKDKCJHZLL-QFIPXVFZSA-N 2 1 454.663 3.824 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001305988353 1068344650 /nfs/dbraw/zinc/34/46/50/1068344650.db2.gz KVQJJGBKBKBBDD-FQEVSTJZSA-N 2 1 451.619 3.545 20 0 JHADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001305988353 1068344661 /nfs/dbraw/zinc/34/46/61/1068344661.db2.gz KVQJJGBKBKBBDD-FQEVSTJZSA-N 2 1 451.619 3.545 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CCCC[C@@H]2CC)CC[NH+]1CCOC ZINC001306317681 1068738921 /nfs/dbraw/zinc/73/89/21/1068738921.db2.gz BNYARSILBKAYMR-FCHUYYIVSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCC[C@@H]2CC)CC[N@@H+]1CCOC ZINC001306317681 1068738933 /nfs/dbraw/zinc/73/89/33/1068738933.db2.gz BNYARSILBKAYMR-FCHUYYIVSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC[NH+]2CCCC[C@@H]2CC)CC[N@H+]1CCOC ZINC001306317681 1068738947 /nfs/dbraw/zinc/73/89/47/1068738947.db2.gz BNYARSILBKAYMR-FCHUYYIVSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC001306317684 1068739034 /nfs/dbraw/zinc/73/90/34/1068739034.db2.gz BNYARSILBKAYMR-YADHBBJMSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001306317684 1068739045 /nfs/dbraw/zinc/73/90/45/1068739045.db2.gz BNYARSILBKAYMR-YADHBBJMSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2ccccc2F)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001306317684 1068739052 /nfs/dbraw/zinc/73/90/52/1068739052.db2.gz BNYARSILBKAYMR-YADHBBJMSA-N 2 1 472.653 3.896 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+](C)CC)c2)CC[N@H+]1CCOC ZINC001306389848 1068827246 /nfs/dbraw/zinc/82/72/46/1068827246.db2.gz PLZNQICKKFQYBD-QHCPKHFHSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@H+](C)CC)c2)CC[NH+]1CCOC ZINC001306389848 1068827266 /nfs/dbraw/zinc/82/72/66/1068827266.db2.gz PLZNQICKKFQYBD-QHCPKHFHSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(C[N@@H+](C)CC)c2)CC[NH+]1CCOC ZINC001306389848 1068827284 /nfs/dbraw/zinc/82/72/84/1068827284.db2.gz PLZNQICKKFQYBD-QHCPKHFHSA-N 2 1 456.679 3.623 20 0 JHADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1CCOC ZINC001306423977 1068917908 /nfs/dbraw/zinc/91/79/08/1068917908.db2.gz NAVVZQLXWDQCPP-CQOQZXRMSA-N 2 1 483.705 3.564 20 0 JHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664196 719357864 /nfs/dbraw/zinc/35/78/64/719357864.db2.gz LVABJFUPBPNBOZ-YWEHKCAJSA-N 2 1 493.700 3.998 20 0 JHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C2)COCCN(c2cc[nH+]c(N(C)C)n2)C3)nc1 ZINC001164664196 719357866 /nfs/dbraw/zinc/35/78/66/719357866.db2.gz LVABJFUPBPNBOZ-YWEHKCAJSA-N 2 1 493.700 3.998 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1C ZINC001164823508 720339057 /nfs/dbraw/zinc/33/90/57/720339057.db2.gz GKRMAUFKDFIEND-YADHBBJMSA-N 2 1 496.725 3.815 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1C ZINC001164736089 720580707 /nfs/dbraw/zinc/58/07/07/720580707.db2.gz BDVFPDQPCJCWLY-UHFFFAOYSA-N 2 1 465.671 3.759 20 0 JHADMP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cccc(OCC[NH+]4CCCC4)n2)C3)c1 ZINC001164751725 720902008 /nfs/dbraw/zinc/90/20/08/720902008.db2.gz DDERNGUTZUXULT-LITSAYRRSA-N 2 1 491.680 3.706 20 0 JHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165003375 722256470 /nfs/dbraw/zinc/25/64/70/722256470.db2.gz APBLHXHMJTXPRQ-UHFFFAOYSA-N 2 1 483.686 3.589 20 0 JHADMP