smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002966776 194184440 /nfs/dbraw/zinc/18/44/40/194184440.db2.gz ICRWAULAPUNUJD-NRFANRHFSA-N 1 1 461.591 2.915 50 0 JFAAMO C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000003308285 194275607 /nfs/dbraw/zinc/27/56/07/194275607.db2.gz DQROCWBFDYGWID-UHFFFAOYSA-N 1 1 495.020 2.768 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000009949545 195032636 /nfs/dbraw/zinc/03/26/36/195032636.db2.gz XSXQZNUVOSPBQD-UHFFFAOYSA-N 1 1 465.598 2.984 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000009949545 195032639 /nfs/dbraw/zinc/03/26/39/195032639.db2.gz XSXQZNUVOSPBQD-UHFFFAOYSA-N 1 1 465.598 2.984 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012814356 195146150 /nfs/dbraw/zinc/14/61/50/195146150.db2.gz MQJAVXZOBOCSJZ-UHFFFAOYSA-N 1 1 456.395 2.958 50 0 JFAAMO CC(C)CC[N@@H+](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C)C1CC1 ZINC000012847610 195152903 /nfs/dbraw/zinc/15/29/03/195152903.db2.gz VUESDMYGFNACMT-UHFFFAOYSA-N 1 1 467.632 2.944 50 0 JFAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)cc1 ZINC000020608523 195181944 /nfs/dbraw/zinc/18/19/44/195181944.db2.gz WKLWLRCQDUFCJY-NRFANRHFSA-N 1 1 459.587 2.879 50 0 JFAAMO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)c3c2)CC1 ZINC000020682090 195204012 /nfs/dbraw/zinc/20/40/12/195204012.db2.gz OJMIIJCFFRDAQP-GOSISDBHSA-N 1 1 474.627 2.553 50 0 JFAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3c2)C1 ZINC000020683435 195204510 /nfs/dbraw/zinc/20/45/10/195204510.db2.gz GTRMVOAXQQGYPG-OALUTQOASA-N 1 1 488.654 2.943 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000020912275 195246000 /nfs/dbraw/zinc/24/60/00/195246000.db2.gz OIFKQYQGXLLKAK-WOJBJXKFSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000020912275 195246002 /nfs/dbraw/zinc/24/60/02/195246002.db2.gz OIFKQYQGXLLKAK-WOJBJXKFSA-N 1 1 478.561 2.869 50 0 JFAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@H+](Cc1cccc(OC)c1OC)CC2 ZINC000020999281 195265204 /nfs/dbraw/zinc/26/52/04/195265204.db2.gz LVFJWNYZCQULPP-UHFFFAOYSA-N 1 1 493.560 2.727 50 0 JFAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@@H+](Cc1cccc(OC)c1OC)CC2 ZINC000020999281 195265207 /nfs/dbraw/zinc/26/52/07/195265207.db2.gz LVFJWNYZCQULPP-UHFFFAOYSA-N 1 1 493.560 2.727 50 0 JFAAMO C[N@@H+](CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1)Cc1ccccc1 ZINC000021096962 195275607 /nfs/dbraw/zinc/27/56/07/195275607.db2.gz QRHPTVPNWOCOHB-UHFFFAOYSA-N 1 1 456.568 2.614 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000021309567 195294103 /nfs/dbraw/zinc/29/41/03/195294103.db2.gz JULBZAYIMNBWAI-UHFFFAOYSA-N 1 1 471.623 2.930 50 0 JFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058162877 195369779 /nfs/dbraw/zinc/36/97/79/195369779.db2.gz ABQZMWMOOBJMDC-XMMPIXPASA-N 1 1 472.655 2.870 50 0 JFAAMO CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)cc1 ZINC000058162877 195369781 /nfs/dbraw/zinc/36/97/81/195369781.db2.gz ABQZMWMOOBJMDC-XMMPIXPASA-N 1 1 472.655 2.870 50 0 JFAAMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 ZINC000058324996 195377498 /nfs/dbraw/zinc/37/74/98/195377498.db2.gz UKRABEDRILINMQ-UHFFFAOYSA-N 1 1 467.451 2.594 50 0 JFAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014995656 519248673 /nfs/dbraw/zinc/24/86/73/519248673.db2.gz FHCYEOJIXKUSCB-HSZRJFAPSA-N 1 1 478.597 2.620 50 0 JFAAMO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014732186 519666683 /nfs/dbraw/zinc/66/66/83/519666683.db2.gz ZEWZISOVLDMDFA-LOSJGSFVSA-N 1 1 476.621 2.547 50 0 JFAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249821 519771921 /nfs/dbraw/zinc/77/19/21/519771921.db2.gz ZBQGPWRJNGYNBJ-VXKWHMMOSA-N 1 1 459.587 2.945 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036248950 520092445 /nfs/dbraw/zinc/09/24/45/520092445.db2.gz URQJAEQRJDULPA-QFIPXVFZSA-N 1 1 460.619 2.718 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308940 520152142 /nfs/dbraw/zinc/15/21/42/520152142.db2.gz KHUWGBFPTACEQC-XXBNENTESA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308940 520152150 /nfs/dbraw/zinc/15/21/50/520152150.db2.gz KHUWGBFPTACEQC-XXBNENTESA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036308989 520152442 /nfs/dbraw/zinc/15/24/42/520152442.db2.gz NDUTVZNDSPBAMD-CTNGQTDRSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036308989 520152454 /nfs/dbraw/zinc/15/24/54/520152454.db2.gz NDUTVZNDSPBAMD-CTNGQTDRSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000048286149 520674006 /nfs/dbraw/zinc/67/40/06/520674006.db2.gz STPOBOGEOYKERK-SFHVURJKSA-N 1 1 456.605 2.912 50 0 JFAAMO CCC[C@@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012246985 520956285 /nfs/dbraw/zinc/95/62/85/520956285.db2.gz MACHVWYNGKTXRH-NGPGFSBPSA-N 1 1 467.614 2.908 50 0 JFAAMO CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033607 521412979 /nfs/dbraw/zinc/41/29/79/521412979.db2.gz JZZFUGRLGQUSEG-UHFFFAOYSA-N 1 1 499.681 2.627 50 0 JFAAMO CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033607 521412990 /nfs/dbraw/zinc/41/29/90/521412990.db2.gz JZZFUGRLGQUSEG-UHFFFAOYSA-N 1 1 499.681 2.627 50 0 JFAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012412482 521510109 /nfs/dbraw/zinc/51/01/09/521510109.db2.gz RCYDZIGRWHZUGD-UHFFFAOYSA-N 1 1 451.976 2.708 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC ZINC000036309343 521538621 /nfs/dbraw/zinc/53/86/21/521538621.db2.gz ZGSDWISWEDRJAH-ICSRJNTNSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)C2)CC1 ZINC000033279500 521668683 /nfs/dbraw/zinc/66/86/83/521668683.db2.gz BPJMRJOGSYKEDN-KRWDZBQOSA-N 1 1 493.655 2.630 50 0 JFAAMO CCN1CC[NH+](Cc2ccc(NC(=O)C3CCN(c4ncnc5onc(C)c54)CC3)cc2)CC1 ZINC000021533184 521687706 /nfs/dbraw/zinc/68/77/06/521687706.db2.gz SBXBCHFKCUUOES-UHFFFAOYSA-N 1 1 463.586 2.919 50 0 JFAAMO CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3c(C)nc4sccn4c3=O)cc2Cl)CC1 ZINC000008594521 521699314 /nfs/dbraw/zinc/69/93/14/521699314.db2.gz PYHXSASAAZQSPM-UHFFFAOYSA-N 1 1 468.004 2.661 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000012244199 522020005 /nfs/dbraw/zinc/02/00/05/522020005.db2.gz XDXNGJJBHDQPAV-SFTDATJTSA-N 1 1 479.625 2.724 50 0 JFAAMO COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022714592 522118527 /nfs/dbraw/zinc/11/85/27/522118527.db2.gz GQNBPEMLJGVCLC-UHFFFAOYSA-N 1 1 471.561 2.743 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000014975193 522326271 /nfs/dbraw/zinc/32/62/71/522326271.db2.gz JXPHMJCOJBXWDE-NQIIRXRSSA-N 1 1 453.568 2.691 50 0 JFAAMO C[N@@H+](CCCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O)C1CCCCC1 ZINC000035537196 522757641 /nfs/dbraw/zinc/75/76/41/522757641.db2.gz VHRQAFOWXRYPDX-UHFFFAOYSA-N 1 1 464.010 2.787 50 0 JFAAMO C[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000008662080 522861381 /nfs/dbraw/zinc/86/13/81/522861381.db2.gz JBRDAHGQJPNKCM-UHFFFAOYSA-N 1 1 482.606 2.565 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970738 523166521 /nfs/dbraw/zinc/16/65/21/523166521.db2.gz VGHKRNPYHKISMN-HXUWFJFHSA-N 1 1 450.587 2.970 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COC ZINC000036309446 523647853 /nfs/dbraw/zinc/64/78/53/523647853.db2.gz AEKCGJRKXBOZGA-UGKGYDQZSA-N 1 1 462.612 2.517 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@H](O)COC ZINC000036309446 523647863 /nfs/dbraw/zinc/64/78/63/523647863.db2.gz AEKCGJRKXBOZGA-UGKGYDQZSA-N 1 1 462.612 2.517 50 0 JFAAMO CC[C@H](C(=O)N1CCN([C@H](C(=O)NCCC[NH+]2CCOCC2)C2CCCC2)CC1)c1ccccc1 ZINC000036256121 523763300 /nfs/dbraw/zinc/76/33/00/523763300.db2.gz GKIFMKZVNLQPLO-UIOOFZCWSA-N 1 1 484.685 2.722 50 0 JFAAMO C[NH+]1CCN(C(=O)c2ccc(OCc3nnc(C(=O)Nc4ccccc4F)s3)cc2)CC1 ZINC000033114313 523882319 /nfs/dbraw/zinc/88/23/19/523882319.db2.gz HOTWYGZYJFIIRX-UHFFFAOYSA-N 1 1 455.515 2.896 50 0 JFAAMO CN1CC[NH+](CCCN2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)CC1 ZINC000021810684 523895096 /nfs/dbraw/zinc/89/50/96/523895096.db2.gz RNZBFEHHUXJGOX-VWLOTQADSA-N 1 1 455.603 2.535 50 0 JFAAMO CCc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC[NH+]4CCOCC4)CC3)cc2)cc1 ZINC000033115439 524017188 /nfs/dbraw/zinc/01/71/88/524017188.db2.gz PORUAGLTZOAAQQ-UHFFFAOYSA-N 1 1 471.623 2.920 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5ccc(F)cc5)c4n3C)C2)cc1 ZINC000064967756 524038532 /nfs/dbraw/zinc/03/85/32/524038532.db2.gz WBUQVPRDXUMJSO-UHFFFAOYSA-N 1 1 475.524 2.669 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5ccc(F)cc5)c4n3C)C2)cc1 ZINC000064967756 524038536 /nfs/dbraw/zinc/03/85/36/524038536.db2.gz WBUQVPRDXUMJSO-UHFFFAOYSA-N 1 1 475.524 2.669 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000012512431 524258996 /nfs/dbraw/zinc/25/89/96/524258996.db2.gz SQUWTDMBMBGIIZ-FQEVSTJZSA-N 1 1 486.638 2.767 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000012512431 524259005 /nfs/dbraw/zinc/25/90/05/524259005.db2.gz SQUWTDMBMBGIIZ-FQEVSTJZSA-N 1 1 486.638 2.767 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022924069 524259863 /nfs/dbraw/zinc/25/98/63/524259863.db2.gz ZICMYLFPBQUXCR-FQEVSTJZSA-N 1 1 456.612 2.616 50 0 JFAAMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000046140958 524580166 /nfs/dbraw/zinc/58/01/66/524580166.db2.gz HQXYSKQDOIOFFC-SFHVURJKSA-N 1 1 450.004 2.821 50 0 JFAAMO Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)c1 ZINC000009127336 524719924 /nfs/dbraw/zinc/71/99/24/524719924.db2.gz JJUWCOGINQCIMU-UHFFFAOYSA-N 1 1 486.638 2.939 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059588 524894990 /nfs/dbraw/zinc/89/49/90/524894990.db2.gz XQVPBYFIFRCDJH-GOTSBHOMSA-N 1 1 451.567 2.642 50 0 JFAAMO Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccco1 ZINC000022698190 525325715 /nfs/dbraw/zinc/32/57/15/525325715.db2.gz MLSWQZHEXUQAKQ-HSZRJFAPSA-N 1 1 457.958 2.856 50 0 JFAAMO Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC[NH+]4CCOCC4)CC3)cc2)c(C)c1 ZINC000033115435 525603020 /nfs/dbraw/zinc/60/30/20/525603020.db2.gz MLJLYJBDQOOUIC-UHFFFAOYSA-N 1 1 471.623 2.974 50 0 JFAAMO Cc1ccsc1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@@H]3CCC(=O)N3)c2)CC1 ZINC000014994058 525820993 /nfs/dbraw/zinc/82/09/93/525820993.db2.gz CFXSGJPNIBSZHX-NRFANRHFSA-N 1 1 470.639 2.604 50 0 JFAAMO Cc1c(N2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1 ZINC000033258799 525823123 /nfs/dbraw/zinc/82/31/23/525823123.db2.gz FCULCKYOPXDNQF-UHFFFAOYSA-N 1 1 495.668 2.832 50 0 JFAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1nnc(Cc2ccccc2)s1 ZINC000044920723 526836978 /nfs/dbraw/zinc/83/69/78/526836978.db2.gz JFTUYRIJWNKVKX-UHFFFAOYSA-N 1 1 450.568 2.595 50 0 JFAAMO Cn1c2ccccc2n(CC(=O)NCCC[N@@H+](CCc2ccccc2)Cc2ccco2)c(=O)c1=O ZINC000033068457 527110770 /nfs/dbraw/zinc/11/07/70/527110770.db2.gz QQNXLKXDMCOAIE-UHFFFAOYSA-N 1 1 474.561 2.544 50 0 JFAAMO O=C(Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O)NCCC[NH+]1CCOCC1 ZINC000020415852 527424331 /nfs/dbraw/zinc/42/43/31/527424331.db2.gz CSGJIDLMAQPBFX-UHFFFAOYSA-N 1 1 493.995 2.891 50 0 JFAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002386738 554177862 /nfs/dbraw/zinc/17/78/62/554177862.db2.gz GTFSWQKNCDDJJA-UHFFFAOYSA-N 1 1 454.600 2.679 50 0 JFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1 ZINC000009211299 554981285 /nfs/dbraw/zinc/98/12/85/554981285.db2.gz YDVMFVPAOKLLCG-KDURUIRLSA-N 1 1 453.635 2.863 50 0 JFAAMO CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000009320818 555095377 /nfs/dbraw/zinc/09/53/77/555095377.db2.gz DLNIKTUCUJTLDV-UHFFFAOYSA-N 1 1 479.624 2.573 50 0 JFAAMO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000009455804 555225975 /nfs/dbraw/zinc/22/59/75/555225975.db2.gz CCDTWEJVWQTQTL-UHFFFAOYSA-N 1 1 477.652 2.676 50 0 JFAAMO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000009455804 555225980 /nfs/dbraw/zinc/22/59/80/555225980.db2.gz CCDTWEJVWQTQTL-UHFFFAOYSA-N 1 1 477.652 2.676 50 0 JFAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Cc1ccccc1N1CCCC1 ZINC000009470937 555254313 /nfs/dbraw/zinc/25/43/13/555254313.db2.gz CBXMURVQIUQNMD-UHFFFAOYSA-N 1 1 492.592 2.530 50 0 JFAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Cc1ccccc1N1CCCC1 ZINC000009470937 555254316 /nfs/dbraw/zinc/25/43/16/555254316.db2.gz CBXMURVQIUQNMD-UHFFFAOYSA-N 1 1 492.592 2.530 50 0 JFAAMO O=C(Cn1ncc2c1c1ccccc1oc2=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009681458 555409189 /nfs/dbraw/zinc/40/91/89/555409189.db2.gz IBOUOUSGFNPTGC-UHFFFAOYSA-N 1 1 463.513 2.610 50 0 JFAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000009604619 555431571 /nfs/dbraw/zinc/43/15/71/555431571.db2.gz LCVXBVXSNIUYNJ-WMZOPIPTSA-N 1 1 456.568 2.640 50 0 JFAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000009604619 555431574 /nfs/dbraw/zinc/43/15/74/555431574.db2.gz LCVXBVXSNIUYNJ-WMZOPIPTSA-N 1 1 456.568 2.640 50 0 JFAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@H+](Cc1ccc3nsnc3c1)CC2 ZINC000019836113 555507290 /nfs/dbraw/zinc/50/72/90/555507290.db2.gz LPCSXRWDAQPUMW-UHFFFAOYSA-N 1 1 491.573 2.714 50 0 JFAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@@H+](Cc1ccc3nsnc3c1)CC2 ZINC000019836113 555507294 /nfs/dbraw/zinc/50/72/94/555507294.db2.gz LPCSXRWDAQPUMW-UHFFFAOYSA-N 1 1 491.573 2.714 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)CC1 ZINC000019840788 555508711 /nfs/dbraw/zinc/50/87/11/555508711.db2.gz NBXWEFWEKHRTQO-UHFFFAOYSA-N 1 1 451.976 2.708 50 0 JFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019888792 555528820 /nfs/dbraw/zinc/52/88/20/555528820.db2.gz USDMRKREVOCWBY-UHFFFAOYSA-N 1 1 456.612 2.616 50 0 JFAAMO COc1ccc(Cc2nc3c4c(C)c(C)n(CC[NH+]5CCOCC5)c4ncn3n2)cc1OC ZINC000013608118 555532061 /nfs/dbraw/zinc/53/20/61/555532061.db2.gz ZELQFHPSHWAXKO-UHFFFAOYSA-N 1 1 450.543 2.636 50 0 JFAAMO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)CSc2nc3ccccc3nc2N2CCOCC2)CC1 ZINC000020069420 555626205 /nfs/dbraw/zinc/62/62/05/555626205.db2.gz SYHDAUHOTVVALH-UHFFFAOYSA-N 1 1 494.665 2.821 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000020102958 555635291 /nfs/dbraw/zinc/63/52/91/555635291.db2.gz YMHCODWBLKKOFS-UHFFFAOYSA-N 1 1 466.401 2.809 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109003 555644327 /nfs/dbraw/zinc/64/43/27/555644327.db2.gz UCGNAQLAYWMPNH-LOSJGSFVSA-N 1 1 464.610 2.750 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114296 555652080 /nfs/dbraw/zinc/65/20/80/555652080.db2.gz RRMDOQYJSUVKBK-DQEYMECFSA-N 1 1 498.599 2.507 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114239 555652185 /nfs/dbraw/zinc/65/21/85/555652185.db2.gz DPEFZHWJFLKLNV-BJKOFHAPSA-N 1 1 485.556 2.592 50 0 JFAAMO Cc1ccccc1Cc1c(C)nc2nc(SCC(=O)NCCC[NH+]3CCOCC3)nn2c1C ZINC000020116686 555654256 /nfs/dbraw/zinc/65/42/56/555654256.db2.gz KVPHHTATMXBAPB-UHFFFAOYSA-N 1 1 468.627 2.571 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020138792 555661978 /nfs/dbraw/zinc/66/19/78/555661978.db2.gz XURIQUSOSWSFAH-UHFFFAOYSA-N 1 1 451.615 2.907 50 0 JFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000014017705 555671443 /nfs/dbraw/zinc/67/14/43/555671443.db2.gz CYIFTJOPWAOQGI-UHFFFAOYSA-N 1 1 464.522 2.831 50 0 JFAAMO O=c1[nH]n(-c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2)c(=O)c2ccccc12 ZINC000020178223 555683716 /nfs/dbraw/zinc/68/37/16/555683716.db2.gz YQXCLMDIEFCTHK-UHFFFAOYSA-N 1 1 468.579 2.730 50 0 JFAAMO O=S(=O)(NCc1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2)c1ccccc1 ZINC000020204934 555696461 /nfs/dbraw/zinc/69/64/61/555696461.db2.gz UWKSMUGEDUZQDJ-UHFFFAOYSA-N 1 1 465.501 2.834 50 0 JFAAMO O=S(=O)(NCc1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2)c1ccccc1 ZINC000020204934 555696463 /nfs/dbraw/zinc/69/64/63/555696463.db2.gz UWKSMUGEDUZQDJ-UHFFFAOYSA-N 1 1 465.501 2.834 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556947 555808570 /nfs/dbraw/zinc/80/85/70/555808570.db2.gz HNONIQNHQYIOTR-JOCHJYFZSA-N 1 1 473.625 2.944 50 0 JFAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCCC[N@H+]1CCc3ccccc3C1)nc2C ZINC000020563118 555814777 /nfs/dbraw/zinc/81/47/77/555814777.db2.gz OFVCQDGZFAYGNO-UHFFFAOYSA-N 1 1 470.577 2.764 50 0 JFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563105 555814818 /nfs/dbraw/zinc/81/48/18/555814818.db2.gz BOFUDCZIYXBYPW-FQEVSTJZSA-N 1 1 450.587 2.970 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565083 555819446 /nfs/dbraw/zinc/81/94/46/555819446.db2.gz FKOZVRBRUASVEW-UHFFFAOYSA-N 1 1 454.600 2.593 50 0 JFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000011839143 555832170 /nfs/dbraw/zinc/83/21/70/555832170.db2.gz FQVLELOTJWUMOB-SLMGFHIASA-N 1 1 453.587 2.708 50 0 JFAAMO CCc1[nH+]ccn1CCC(=O)N1CC(=O)N(C(C)C)C[C@H](OCc2cc(OC)cc(OC)c2)C1 ZINC000014541892 555832679 /nfs/dbraw/zinc/83/26/79/555832679.db2.gz VHHUHSDXUIBIFJ-JOCHJYFZSA-N 1 1 472.586 2.517 50 0 JFAAMO C[NH+](C)CCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000020644181 555846194 /nfs/dbraw/zinc/84/61/94/555846194.db2.gz FTRUDQTTXBDQSH-UHFFFAOYSA-N 1 1 461.385 2.787 50 0 JFAAMO C[N@H+](CCC(=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000015002033 555847178 /nfs/dbraw/zinc/84/71/78/555847178.db2.gz RKEAWVYKDSZWCF-OAQYLSRUSA-N 1 1 495.649 2.800 50 0 JFAAMO C[N@@H+](CCC(=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000015002033 555847182 /nfs/dbraw/zinc/84/71/82/555847182.db2.gz RKEAWVYKDSZWCF-OAQYLSRUSA-N 1 1 495.649 2.800 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000021581093 555852998 /nfs/dbraw/zinc/85/29/98/555852998.db2.gz NXDGIOXVBCDSTR-NRFANRHFSA-N 1 1 461.559 2.504 50 0 JFAAMO Cc1[nH+]ccn1CCC(=O)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000011935255 555869579 /nfs/dbraw/zinc/86/95/79/555869579.db2.gz LZPKUNDKKJUFGT-UHFFFAOYSA-N 1 1 450.499 2.623 50 0 JFAAMO COc1cc(C[C@@]2(CCC(=O)N3CCN(c4cccc(C)[nH+]4)CC3)CCC(=O)N2)ccc1F ZINC000012035418 555888808 /nfs/dbraw/zinc/88/88/08/555888808.db2.gz YXZSGAQHIXMWEY-VWLOTQADSA-N 1 1 454.546 2.858 50 0 JFAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000012128458 555910954 /nfs/dbraw/zinc/91/09/54/555910954.db2.gz IXQBJMDYIJYJDS-OAQYLSRUSA-N 1 1 467.570 2.818 50 0 JFAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CCc3nnc4ccc(N5CCCCC5)nn43)C2)cc1 ZINC000015678890 555944457 /nfs/dbraw/zinc/94/44/57/555944457.db2.gz RRKUBBFUSTZEMZ-QFIPXVFZSA-N 1 1 461.614 2.994 50 0 JFAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CCc3nnc4ccc(N5CCCCC5)nn43)C2)cc1 ZINC000015678891 555944570 /nfs/dbraw/zinc/94/45/70/555944570.db2.gz RRKUBBFUSTZEMZ-JOCHJYFZSA-N 1 1 461.614 2.994 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000022937092 555989842 /nfs/dbraw/zinc/98/98/42/555989842.db2.gz IFUVDEYFZBQUBL-UHFFFAOYSA-N 1 1 486.620 2.758 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CCO)CC1)CCC2 ZINC000022939046 555992270 /nfs/dbraw/zinc/99/22/70/555992270.db2.gz UCSSZXSRJAJNQU-UHFFFAOYSA-N 1 1 493.029 2.700 50 0 JFAAMO COc1ccc(OC)c(NC(=O)c2c3c(sc2NC(=O)CN2CC[NH+](C)CC2)CCC3)c1 ZINC000022942515 555993041 /nfs/dbraw/zinc/99/30/41/555993041.db2.gz ORFQGUZPVMPBRC-UHFFFAOYSA-N 1 1 458.584 2.692 50 0 JFAAMO COC(=O)c1sc(NC(=O)CC[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C(=O)OC)c1C ZINC000023057798 556003919 /nfs/dbraw/zinc/00/39/19/556003919.db2.gz SZTKTROANCEPME-UHFFFAOYSA-N 1 1 487.578 2.806 50 0 JFAAMO COC(=O)c1sc(NC(=O)CC[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C(=O)OC)c1C ZINC000023057798 556003922 /nfs/dbraw/zinc/00/39/22/556003922.db2.gz SZTKTROANCEPME-UHFFFAOYSA-N 1 1 487.578 2.806 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000012569126 556070930 /nfs/dbraw/zinc/07/09/30/556070930.db2.gz SEGOKVXZHGZBMN-UHFFFAOYSA-N 1 1 470.035 2.889 50 0 JFAAMO Cc1cc(O)c([C@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023477074 556074571 /nfs/dbraw/zinc/07/45/71/556074571.db2.gz WNFBUBRXMJOPSH-VWLOTQADSA-N 1 1 451.542 2.749 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)c(C)c1 ZINC000023538068 556077052 /nfs/dbraw/zinc/07/70/52/556077052.db2.gz AXVXNKNGKYBUOV-UHFFFAOYSA-N 1 1 477.671 2.855 50 0 JFAAMO O=C(COc1ccccc1C(=O)NCCC[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000023743251 556087133 /nfs/dbraw/zinc/08/71/33/556087133.db2.gz XHYIJXYOYUGOJQ-UHFFFAOYSA-N 1 1 476.371 2.919 50 0 JFAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015957724 556089516 /nfs/dbraw/zinc/08/95/16/556089516.db2.gz GLGWEQBGDVIQEH-IMIIHFCZSA-N 1 1 459.502 2.606 50 0 biogenic JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000023819672 556090112 /nfs/dbraw/zinc/09/01/12/556090112.db2.gz XRMMXSOQLFRQFR-UHFFFAOYSA-N 1 1 468.985 2.883 50 0 JFAAMO Cc1cccc(C[NH+]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)CC2)c1 ZINC000023819191 556090129 /nfs/dbraw/zinc/09/01/29/556090129.db2.gz QTYYQIMILLXBFT-UHFFFAOYSA-N 1 1 459.587 2.879 50 0 JFAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023844485 556090868 /nfs/dbraw/zinc/09/08/68/556090868.db2.gz SMBIZFZBXVYHLW-JOCHJYFZSA-N 1 1 467.566 2.914 50 0 JFAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023844485 556090870 /nfs/dbraw/zinc/09/08/70/556090870.db2.gz SMBIZFZBXVYHLW-JOCHJYFZSA-N 1 1 467.566 2.914 50 0 JFAAMO O=C(Nc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000023864520 556093476 /nfs/dbraw/zinc/09/34/76/556093476.db2.gz IEUIXMGFDIBRJH-HXUWFJFHSA-N 1 1 460.534 2.717 50 0 JFAAMO Cc1cccc(C)c1-n1nnnc1SCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023908014 556100025 /nfs/dbraw/zinc/10/00/25/556100025.db2.gz MEQQJXHHWIRLHJ-UHFFFAOYSA-N 1 1 452.584 2.520 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000016962162 556191627 /nfs/dbraw/zinc/19/16/27/556191627.db2.gz XBHVKBISVWILOU-NRFANRHFSA-N 1 1 498.649 2.803 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000025664844 556229070 /nfs/dbraw/zinc/22/90/70/556229070.db2.gz VVXQNMIHCVLRIF-UHFFFAOYSA-N 1 1 470.035 2.889 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000017288393 556251369 /nfs/dbraw/zinc/25/13/69/556251369.db2.gz WMTMMPLSHHBIBO-LJQANCHMSA-N 1 1 497.621 2.553 50 0 JFAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000013058326 556253881 /nfs/dbraw/zinc/25/38/81/556253881.db2.gz DENPOOQWEQCYDA-UHFFFAOYSA-N 1 1 461.584 2.949 50 0 JFAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000013058326 556253882 /nfs/dbraw/zinc/25/38/82/556253882.db2.gz DENPOOQWEQCYDA-UHFFFAOYSA-N 1 1 461.584 2.949 50 0 JFAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000026772127 556261230 /nfs/dbraw/zinc/26/12/30/556261230.db2.gz QIPGXDQOEMTTFT-GGISIDAXSA-N 1 1 461.518 2.549 50 0 biogenic JFAAMO COc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc(Br)c1OCc1ccccc1 ZINC000032676042 556469598 /nfs/dbraw/zinc/46/95/98/556469598.db2.gz PQONAWDTZWWGFM-UHFFFAOYSA-N 1 1 490.398 2.883 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000032724997 556476319 /nfs/dbraw/zinc/47/63/19/556476319.db2.gz IMPZWGPIQRWQAG-JOCHJYFZSA-N 1 1 486.682 2.977 50 0 JFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1 ZINC000032921830 556541356 /nfs/dbraw/zinc/54/13/56/556541356.db2.gz DMEWQJNVRHKVEE-XMMPIXPASA-N 1 1 468.667 2.992 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)[NH2+][C@@]12c1cc(Cl)cc(C)c1NC2=O ZINC000057135595 569594584 /nfs/dbraw/zinc/59/45/84/569594584.db2.gz BRWUYCPEJAIJGQ-QCPUYCGNSA-N 1 1 477.348 2.950 50 0 JFAAMO CCOc1ccc([C@H]2NC(=O)NC(CN3CCC([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000057415340 569600548 /nfs/dbraw/zinc/60/05/48/569600548.db2.gz FVOUNNYKNQUKTP-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)sc2C1 ZINC000032969099 569603362 /nfs/dbraw/zinc/60/33/62/569603362.db2.gz JDLOVIRYXMOJRP-MRXNPFEDSA-N 1 1 458.584 2.568 50 0 JFAAMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)sc2C1 ZINC000032969099 569603364 /nfs/dbraw/zinc/60/33/64/569603364.db2.gz JDLOVIRYXMOJRP-MRXNPFEDSA-N 1 1 458.584 2.568 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032995226 569610154 /nfs/dbraw/zinc/61/01/54/569610154.db2.gz UVGUHFMHISHGQJ-UHFFFAOYSA-N 1 1 465.023 2.520 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580419 569611731 /nfs/dbraw/zinc/61/17/31/569611731.db2.gz AKPZRJVBLJKEAG-OALUTQOASA-N 1 1 466.604 2.527 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580419 569611732 /nfs/dbraw/zinc/61/17/32/569611732.db2.gz AKPZRJVBLJKEAG-OALUTQOASA-N 1 1 466.604 2.527 50 0 JFAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000062595257 569612759 /nfs/dbraw/zinc/61/27/59/569612759.db2.gz OSMXHSNQNLQTEZ-LJQANCHMSA-N 1 1 494.478 2.861 50 0 JFAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000062595257 569612761 /nfs/dbraw/zinc/61/27/61/569612761.db2.gz OSMXHSNQNLQTEZ-LJQANCHMSA-N 1 1 494.478 2.861 50 0 JFAAMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000062626275 569613765 /nfs/dbraw/zinc/61/37/65/569613765.db2.gz IMWLNMLZWMUZKZ-OAQYLSRUSA-N 1 1 487.354 2.535 50 0 JFAAMO CCn1c2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835992 569636747 /nfs/dbraw/zinc/63/67/47/569636747.db2.gz WIMXATKMJZSWLK-UHFFFAOYSA-N 1 1 485.544 2.733 50 0 JFAAMO COc1cccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCC(C)CC4)c3C2)c1 ZINC000034676724 569641601 /nfs/dbraw/zinc/64/16/01/569641601.db2.gz QDRMEDWQSCGPLO-UHFFFAOYSA-N 1 1 464.614 2.672 50 0 JFAAMO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677506 569641872 /nfs/dbraw/zinc/64/18/72/569641872.db2.gz IXZRCSXXWRHYTK-QGZVFWFLSA-N 1 1 468.957 2.871 50 0 JFAAMO O=C(CCn1cnc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064889132 569642582 /nfs/dbraw/zinc/64/25/82/569642582.db2.gz NNACXAZBMMPEDI-UHFFFAOYSA-N 1 1 495.649 2.945 50 0 JFAAMO C[N@@H+](CCNC(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)C1CCCCC1 ZINC000065314156 569672306 /nfs/dbraw/zinc/67/23/06/569672306.db2.gz MWGDWDPCVDASNW-QFIPXVFZSA-N 1 1 451.615 2.889 50 0 JFAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1)C1CCCCC1 ZINC000065314155 569672311 /nfs/dbraw/zinc/67/23/11/569672311.db2.gz MWGDWDPCVDASNW-JOCHJYFZSA-N 1 1 451.615 2.889 50 0 JFAAMO COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCC[NH+]3CCOCC3)CC(C)C)no2)c1 ZINC000034922638 569672909 /nfs/dbraw/zinc/67/29/09/569672909.db2.gz AURMWMWXRLZGIC-UHFFFAOYSA-N 1 1 472.586 2.677 50 0 JFAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](CCOC)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000034927974 569673275 /nfs/dbraw/zinc/67/32/75/569673275.db2.gz HTOMJZSSFUKKPN-DQEYMECFSA-N 1 1 479.577 2.897 50 0 JFAAMO COc1cccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928057 569673344 /nfs/dbraw/zinc/67/33/44/569673344.db2.gz CDPJDDFBLGSZAK-LOSJGSFVSA-N 1 1 463.578 2.977 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3s2)CC1 ZINC000067225855 569680977 /nfs/dbraw/zinc/68/09/77/569680977.db2.gz BIFXXSUYVFYVTN-UHFFFAOYSA-N 1 1 466.489 2.652 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287442 569684521 /nfs/dbraw/zinc/68/45/21/569684521.db2.gz KFGHLGWIFBPRBL-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035422041 569692466 /nfs/dbraw/zinc/69/24/66/569692466.db2.gz RKFPNXXKTIOUCX-SFHVURJKSA-N 1 1 465.436 2.588 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035422041 569692467 /nfs/dbraw/zinc/69/24/67/569692467.db2.gz RKFPNXXKTIOUCX-SFHVURJKSA-N 1 1 465.436 2.588 50 0 JFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000067614291 569688624 /nfs/dbraw/zinc/68/86/24/569688624.db2.gz RQBJHCIEUDMOJZ-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO CCCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068832569 569692422 /nfs/dbraw/zinc/69/24/22/569692422.db2.gz SAUIGLCLUQXKFC-PKTZIBPZSA-N 1 1 487.670 2.866 50 0 JFAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035422044 569692589 /nfs/dbraw/zinc/69/25/89/569692589.db2.gz WTLHNXUMMDHEFL-GOSISDBHSA-N 1 1 454.537 2.844 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035422044 569692590 /nfs/dbraw/zinc/69/25/90/569692590.db2.gz WTLHNXUMMDHEFL-GOSISDBHSA-N 1 1 454.537 2.844 50 0 JFAAMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072441565 569704159 /nfs/dbraw/zinc/70/41/59/569704159.db2.gz WCRXMIRCXQKJQQ-UHFFFAOYSA-N 1 1 450.568 2.708 50 0 JFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000035843158 569714130 /nfs/dbraw/zinc/71/41/30/569714130.db2.gz ZAXCYTAEYWYOIT-CQBMSCNUSA-N 1 1 493.585 2.997 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844045 569714739 /nfs/dbraw/zinc/71/47/39/569714739.db2.gz ZSSMDIFBPOICDY-OIBPMIBVSA-N 1 1 479.920 2.851 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844045 569714740 /nfs/dbraw/zinc/71/47/40/569714740.db2.gz ZSSMDIFBPOICDY-OIBPMIBVSA-N 1 1 479.920 2.851 50 0 JFAAMO O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000085878000 569715994 /nfs/dbraw/zinc/71/59/94/569715994.db2.gz LOPISFWNHXCHMX-PKOBYXMFSA-N 1 1 457.962 2.530 50 0 biogenic JFAAMO O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894132 569722864 /nfs/dbraw/zinc/72/28/64/569722864.db2.gz RMXIJQFKDLQBCY-AOYPEHQESA-N 1 1 466.601 2.527 50 0 JFAAMO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000100211131 569755522 /nfs/dbraw/zinc/75/55/22/569755522.db2.gz YGPXEAQWSVIHQL-DEOSSOPVSA-N 1 1 451.567 2.976 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249737 569757965 /nfs/dbraw/zinc/75/79/65/569757965.db2.gz LHDDXPFSFBAXCS-SFTDATJTSA-N 1 1 463.550 2.696 50 0 JFAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000036250349 569758364 /nfs/dbraw/zinc/75/83/64/569758364.db2.gz XLYUSIHGVSMUPL-QFIPXVFZSA-N 1 1 494.558 2.713 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000036342624 569765855 /nfs/dbraw/zinc/76/58/55/569765855.db2.gz QWVTZAKERNTGHG-QFIPXVFZSA-N 1 1 450.539 2.579 50 0 JFAAMO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]2CCCC[C@H]12 ZINC000036553481 569776517 /nfs/dbraw/zinc/77/65/17/569776517.db2.gz DFHQULLQMGVPFE-OLMNPRSZSA-N 1 1 457.040 2.649 50 0 JFAAMO COc1ccc(CCN2C[C@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1OC ZINC000036717823 569780467 /nfs/dbraw/zinc/78/04/67/569780467.db2.gz YESNFLHOLVIHBI-JOCHJYFZSA-N 1 1 453.583 2.733 50 0 JFAAMO CC[NH+]1CCN(C(=O)CCCN2C(=O)COc3ccc(C(=O)COc4ccccc4OC)cc32)CC1 ZINC000037275307 569782011 /nfs/dbraw/zinc/78/20/11/569782011.db2.gz XUNPUFJBIOOEFT-UHFFFAOYSA-N 1 1 495.576 2.627 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)c4ccc(C)cc4)CCO3)CC2)cc1OC ZINC000037613906 569799419 /nfs/dbraw/zinc/79/94/19/569799419.db2.gz HXGDURTTYRTDEO-HSZRJFAPSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)c4ccc(C)cc4)CCO3)CC2)cc1OC ZINC000037613906 569799420 /nfs/dbraw/zinc/79/94/20/569799420.db2.gz HXGDURTTYRTDEO-HSZRJFAPSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1 ZINC000038670728 569806176 /nfs/dbraw/zinc/80/61/76/569806176.db2.gz JBUTWEGLKVPMEI-UHFFFAOYSA-N 1 1 484.582 2.629 50 0 JFAAMO O=C(Nc1cccc(S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000040122732 569816735 /nfs/dbraw/zinc/81/67/35/569816735.db2.gz WGCJDPFZHMPLDU-UWJYYQICSA-N 1 1 475.998 2.902 50 0 JFAAMO O=C(Nc1cccc(S(=O)(=O)N[C@@H]2C[NH+]3CCC2CC3)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000040122731 569816820 /nfs/dbraw/zinc/81/68/20/569816820.db2.gz WGCJDPFZHMPLDU-LAUBAEHRSA-N 1 1 475.998 2.902 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450545 569828509 /nfs/dbraw/zinc/82/85/09/569828509.db2.gz AGDGOXIGKRQDMW-CQSZACIVSA-N 1 1 470.433 2.901 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@H](O)COC ZINC000105003047 569849260 /nfs/dbraw/zinc/84/92/60/569849260.db2.gz SWKOKIGVCWQFIP-SIKLNZKXSA-N 1 1 462.612 2.599 50 0 JFAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000052596024 569852449 /nfs/dbraw/zinc/85/24/49/569852449.db2.gz YVCOXJNJWXOHQP-NQIIRXRSSA-N 1 1 468.579 2.847 50 0 JFAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000052596024 569852450 /nfs/dbraw/zinc/85/24/50/569852450.db2.gz YVCOXJNJWXOHQP-NQIIRXRSSA-N 1 1 468.579 2.847 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000106615588 569854372 /nfs/dbraw/zinc/85/43/72/569854372.db2.gz NVGDSRQUOXYCCK-IERDGZPVSA-N 1 1 459.543 2.532 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000106615434 569854452 /nfs/dbraw/zinc/85/44/52/569854452.db2.gz BOBVNJRGZDPLJE-HNAYVOBHSA-N 1 1 494.386 2.895 50 0 JFAAMO COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426756 569996340 /nfs/dbraw/zinc/99/63/40/569996340.db2.gz QGIGXXZUOOJHCA-MMOPVJDHSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426756 569996342 /nfs/dbraw/zinc/99/63/42/569996342.db2.gz QGIGXXZUOOJHCA-MMOPVJDHSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000230137856 570045634 /nfs/dbraw/zinc/04/56/34/570045634.db2.gz QPJJCASWRFQJPY-AHWVRZQESA-N 1 1 482.600 2.540 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000245224940 570054852 /nfs/dbraw/zinc/05/48/52/570054852.db2.gz IMGRHYGUGBKSGT-QMMLZNLJSA-N 1 1 460.600 2.644 50 0 JFAAMO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC1CC1 ZINC000245279461 570061540 /nfs/dbraw/zinc/06/15/40/570061540.db2.gz FVACSDANNDQYAH-AUSIDOKSSA-N 1 1 474.623 2.981 50 0 JFAAMO COC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)CC1CC1 ZINC000245279464 570061610 /nfs/dbraw/zinc/06/16/10/570061610.db2.gz FVACSDANNDQYAH-WMZHIEFXSA-N 1 1 474.623 2.981 50 0 JFAAMO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C1CC1 ZINC000245280767 570061893 /nfs/dbraw/zinc/06/18/93/570061893.db2.gz SMIIAZWUBZOTRY-AZUAARDMSA-N 1 1 460.596 2.733 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245325523 570064219 /nfs/dbraw/zinc/06/42/19/570064219.db2.gz FMGVVSBXTFKUNG-LUCIHVKJSA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245325523 570064221 /nfs/dbraw/zinc/06/42/21/570064221.db2.gz FMGVVSBXTFKUNG-LUCIHVKJSA-N 1 1 465.893 2.697 50 0 JFAAMO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1 ZINC000245328661 570065894 /nfs/dbraw/zinc/06/58/94/570065894.db2.gz WCENQFFHLMJQPZ-GCJKJVERSA-N 1 1 458.440 2.856 50 0 JFAAMO C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1 ZINC000245328661 570065896 /nfs/dbraw/zinc/06/58/96/570065896.db2.gz WCENQFFHLMJQPZ-GCJKJVERSA-N 1 1 458.440 2.856 50 0 JFAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000245330603 570066819 /nfs/dbraw/zinc/06/68/19/570066819.db2.gz ZBQGPWRJNGYNBJ-FGZHOGPDSA-N 1 1 459.587 2.945 50 0 JFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000247801566 570069569 /nfs/dbraw/zinc/06/95/69/570069569.db2.gz VYTMIHRAVMYCEC-RTWAWAEBSA-N 1 1 490.670 2.758 50 0 JFAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000248213025 570076349 /nfs/dbraw/zinc/07/63/49/570076349.db2.gz FCCFRZPQNNQUST-IYXACIGFSA-N 1 1 453.926 2.594 50 0 JFAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H](C)[C@H]2C)C1=O ZINC000252458441 570081104 /nfs/dbraw/zinc/08/11/04/570081104.db2.gz IGEINUXKIDZWTK-HUTRQKEOSA-N 1 1 458.559 2.794 50 0 JFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263586140 570171580 /nfs/dbraw/zinc/17/15/80/570171580.db2.gz QOEFAUQEHOMKAN-QSHYMPABSA-N 1 1 457.615 2.954 50 0 biogenic JFAAMO CCOC(=O)c1ccc(N2C[C@H](C(=O)N(CCOC)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000263586432 570171820 /nfs/dbraw/zinc/17/18/20/570171820.db2.gz ULLLDNGZZNDCTG-WMTXJRDZSA-N 1 1 485.625 2.956 50 0 biogenic JFAAMO CCc1nn(CC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c(=O)c2cc3sccc3n21 ZINC000009848529 194992932 /nfs/dbraw/zinc/99/29/32/194992932.db2.gz CKAFNKSAXNKDIL-UHFFFAOYSA-N 1 1 496.612 2.741 50 0 JFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009882351 195010274 /nfs/dbraw/zinc/01/02/74/195010274.db2.gz YCKBNPYCEQGYGL-UHFFFAOYSA-N 1 1 454.918 2.916 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009883882 195012321 /nfs/dbraw/zinc/01/23/21/195012321.db2.gz DPLSORZUWCCAEB-SFHVURJKSA-N 1 1 480.565 2.930 50 0 JFAAMO COc1cc(CNCc2ccc(C)c(F)c2F)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000012764279 195112846 /nfs/dbraw/zinc/11/28/46/195112846.db2.gz KFEQBNOQJRJXBJ-HXUWFJFHSA-N 1 1 450.526 2.768 50 0 JFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000020608525 195181967 /nfs/dbraw/zinc/18/19/67/195181967.db2.gz CRDVZESLYRVSSO-NRFANRHFSA-N 1 1 459.587 2.879 50 0 JFAAMO COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N32)cc1 ZINC000020609798 195183050 /nfs/dbraw/zinc/18/30/50/195183050.db2.gz JPTZDHXRMSBSBJ-IGKIAQTJSA-N 1 1 488.588 2.584 50 0 biogenic JFAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3n2)cc1 ZINC000020615447 195187188 /nfs/dbraw/zinc/18/71/88/195187188.db2.gz MKXUUZRWVUUCQT-UHFFFAOYSA-N 1 1 463.460 2.876 50 0 JFAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)c(C)c21 ZINC000020650412 195195669 /nfs/dbraw/zinc/19/56/69/195195669.db2.gz UVOSCUQREGIIDR-UHFFFAOYSA-N 1 1 453.539 2.548 50 0 JFAAMO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2c1 ZINC000020686722 195205308 /nfs/dbraw/zinc/20/53/08/195205308.db2.gz UVWYKXSMHRSXEK-ROUUACIJSA-N 1 1 474.627 2.695 50 0 JFAAMO COc1ccc(C2=NN(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C(=O)CC2)cc1 ZINC000020733997 195211891 /nfs/dbraw/zinc/21/18/91/195211891.db2.gz AOTPIMVMRCAEHB-UHFFFAOYSA-N 1 1 495.599 2.879 50 0 JFAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)c2cc(C)ccc2O1 ZINC000020902422 195241658 /nfs/dbraw/zinc/24/16/58/195241658.db2.gz XTYBIZLWOXYMEM-JOCHJYFZSA-N 1 1 471.646 2.558 50 0 JFAAMO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021029342 195269412 /nfs/dbraw/zinc/26/94/12/195269412.db2.gz AKTZLBRACMKVFY-HSZRJFAPSA-N 1 1 487.670 2.621 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000021535253 195311216 /nfs/dbraw/zinc/31/12/16/195311216.db2.gz BVBMXTGLVDVYCB-UHFFFAOYSA-N 1 1 479.654 2.867 50 0 JFAAMO C[N@@H+](CCCNC(=O)Cn1c2ccccc2n(Cc2ccccc2)c(=O)c1=O)Cc1ccccc1 ZINC000021944365 195339875 /nfs/dbraw/zinc/33/98/75/195339875.db2.gz TZRIATCJIFPEHP-UHFFFAOYSA-N 1 1 470.573 2.850 50 0 JFAAMO COc1ccc(-n2cnnc2SCC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000058378500 195379008 /nfs/dbraw/zinc/37/90/08/195379008.db2.gz KTDHPPNLSLROTQ-HDICACEKSA-N 1 1 459.616 2.716 50 0 JFAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945289 519441269 /nfs/dbraw/zinc/44/12/69/519441269.db2.gz DSEVZZBWMQNRQK-QFIPXVFZSA-N 1 1 478.703 2.572 50 0 JFAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945289 519441273 /nfs/dbraw/zinc/44/12/73/519441273.db2.gz DSEVZZBWMQNRQK-QFIPXVFZSA-N 1 1 478.703 2.572 50 0 JFAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249820 519773800 /nfs/dbraw/zinc/77/38/00/519773800.db2.gz ZBQGPWRJNGYNBJ-YADHBBJMSA-N 1 1 459.587 2.945 50 0 JFAAMO CC(C)c1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000021841946 519836613 /nfs/dbraw/zinc/83/66/13/519836613.db2.gz SYKGHAOCIUJMRP-UHFFFAOYSA-N 1 1 459.612 2.844 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCCOC)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206000 520152037 /nfs/dbraw/zinc/15/20/37/520152037.db2.gz QYSCMSLIJNENGC-QGZVFWFLSA-N 1 1 491.610 2.905 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCCOC)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206000 520152044 /nfs/dbraw/zinc/15/20/44/520152044.db2.gz QYSCMSLIJNENGC-QGZVFWFLSA-N 1 1 491.610 2.905 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036248949 520153239 /nfs/dbraw/zinc/15/32/39/520153239.db2.gz URQJAEQRJDULPA-JOCHJYFZSA-N 1 1 460.619 2.718 50 0 JFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000048310088 520257445 /nfs/dbraw/zinc/25/74/45/520257445.db2.gz MIMANFQAUPQZRP-KDURUIRLSA-N 1 1 459.612 2.866 50 0 JFAAMO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)CS2 ZINC000045960866 520556286 /nfs/dbraw/zinc/55/62/86/520556286.db2.gz RDDYRXWQFNZGLO-UHFFFAOYSA-N 1 1 480.634 2.952 50 0 JFAAMO CCC[C@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014889372 521314453 /nfs/dbraw/zinc/31/44/53/521314453.db2.gz RRMWRFIVZFUMGS-KBMIEXCESA-N 1 1 471.602 2.517 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000036309311 521537480 /nfs/dbraw/zinc/53/74/80/521537480.db2.gz RZKWYGFRZZVHSZ-AVRDEDQJSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1 ZINC000033058911 521662452 /nfs/dbraw/zinc/66/24/52/521662452.db2.gz SOGOPZOIEANHQG-CMDGGOBGSA-N 1 1 490.601 2.857 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2cccs2)CC1 ZINC000020508128 521680752 /nfs/dbraw/zinc/68/07/52/521680752.db2.gz AOABYTJRDUODTE-BJKOFHAPSA-N 1 1 484.666 2.819 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000033131369 521680875 /nfs/dbraw/zinc/68/08/75/521680875.db2.gz IIEZWQXSYIIXIQ-UHFFFAOYSA-N 1 1 471.067 2.662 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697746 522062267 /nfs/dbraw/zinc/06/22/67/522062267.db2.gz AHPOWMFIHAGIMM-XMMPIXPASA-N 1 1 452.530 2.954 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)[N@H+](Cc3sccc3C)C2)nn1 ZINC000014885427 522326856 /nfs/dbraw/zinc/32/68/56/522326856.db2.gz CDKWDQBTBXTRIB-IRLDBZIGSA-N 1 1 494.621 2.599 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)[N@@H+](Cc3sccc3C)C2)nn1 ZINC000014885427 522326866 /nfs/dbraw/zinc/32/68/66/522326866.db2.gz CDKWDQBTBXTRIB-IRLDBZIGSA-N 1 1 494.621 2.599 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc(OC)c1 ZINC000014884566 522398085 /nfs/dbraw/zinc/39/80/85/522398085.db2.gz QKZLGVVAHFIZRQ-UHFFFAOYSA-N 1 1 463.582 2.943 50 0 JFAAMO COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000035456086 522675419 /nfs/dbraw/zinc/67/54/19/522675419.db2.gz JHOQMCWMKFXBSM-UHFFFAOYSA-N 1 1 478.549 2.775 50 0 JFAAMO COc1cc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000035456086 522675429 /nfs/dbraw/zinc/67/54/29/522675429.db2.gz JHOQMCWMKFXBSM-UHFFFAOYSA-N 1 1 478.549 2.775 50 0 JFAAMO CCc1nn(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(=O)c2cc3sccc3n21 ZINC000020384075 522702395 /nfs/dbraw/zinc/70/23/95/522702395.db2.gz QUQNTOAMMVIRNR-UHFFFAOYSA-N 1 1 492.649 2.597 50 0 JFAAMO COc1cc(O)ccc1C[N@@H+]1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000012204667 522784060 /nfs/dbraw/zinc/78/40/60/522784060.db2.gz PYAFLZCLSNQTJB-QFIPXVFZSA-N 1 1 450.543 2.573 50 0 JFAAMO C[N@@H+](CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl)Cc1ccccc1 ZINC000033131486 522860041 /nfs/dbraw/zinc/86/00/41/522860041.db2.gz BZESGXIIHNTIJV-UHFFFAOYSA-N 1 1 468.044 2.939 50 0 JFAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000079193093 523097329 /nfs/dbraw/zinc/09/73/29/523097329.db2.gz CJKOZYLAMNPKQZ-SXWKCWPCSA-N 1 1 486.638 2.913 50 0 biogenic JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955547 523167804 /nfs/dbraw/zinc/16/78/04/523167804.db2.gz YAQUZRNIVCLGON-LJQANCHMSA-N 1 1 472.659 2.891 50 0 JFAAMO COCCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000014884667 523286445 /nfs/dbraw/zinc/28/64/45/523286445.db2.gz CNKQTQPWBSWLCF-QDPGVEIFSA-N 1 1 493.604 2.634 50 0 JFAAMO COCCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000014884667 523286448 /nfs/dbraw/zinc/28/64/48/523286448.db2.gz CNKQTQPWBSWLCF-QDPGVEIFSA-N 1 1 493.604 2.634 50 0 JFAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000014991460 523318395 /nfs/dbraw/zinc/31/83/95/523318395.db2.gz XYVRBXIAFKNGQA-FPVCCHAOSA-N 1 1 494.611 2.773 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC ZINC000036310118 523649527 /nfs/dbraw/zinc/64/95/27/523649527.db2.gz QUBOXEUWDFQLPE-RBBKRZOGSA-N 1 1 476.639 2.825 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COC ZINC000036310118 523649537 /nfs/dbraw/zinc/64/95/37/523649537.db2.gz QUBOXEUWDFQLPE-RBBKRZOGSA-N 1 1 476.639 2.825 50 0 JFAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000014989411 523674237 /nfs/dbraw/zinc/67/42/37/523674237.db2.gz FSAQLKVXIOJCMD-NRFANRHFSA-N 1 1 493.560 2.829 50 0 JFAAMO COC(=O)[C@@H]1CCCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000014989411 523674251 /nfs/dbraw/zinc/67/42/51/523674251.db2.gz FSAQLKVXIOJCMD-NRFANRHFSA-N 1 1 493.560 2.829 50 0 JFAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2Cl)C1=O ZINC000014878835 523798631 /nfs/dbraw/zinc/79/86/31/523798631.db2.gz UITRERCOFFUSFR-GJZUVCINSA-N 1 1 483.996 2.889 50 0 JFAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)(c2ccccc2Cl)C1=O ZINC000014878835 523798637 /nfs/dbraw/zinc/79/86/37/523798637.db2.gz UITRERCOFFUSFR-GJZUVCINSA-N 1 1 483.996 2.889 50 0 JFAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@H]1c1cccs1 ZINC000020508030 523809855 /nfs/dbraw/zinc/80/98/55/523809855.db2.gz MCPXYPHOACEWRI-FGZHOGPDSA-N 1 1 457.596 2.514 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000014881530 524039791 /nfs/dbraw/zinc/03/97/91/524039791.db2.gz ABXZARFSFOQWOF-HSZRJFAPSA-N 1 1 464.570 2.876 50 0 JFAAMO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CCc3nc(C4=CCN(C)CC4)no3)CC2)c1 ZINC000033069175 524126082 /nfs/dbraw/zinc/12/60/82/524126082.db2.gz KHIYDRYYBAGFHE-UHFFFAOYSA-N 1 1 466.630 2.666 50 0 JFAAMO COc1ccc([C@]2(CC(=O)N3CC[NH+](Cc4ccccc4C)CC3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000020452212 525445774 /nfs/dbraw/zinc/44/57/74/525445774.db2.gz NIWFOKJCASQTEY-NDEPHWFRSA-N 1 1 475.589 2.897 50 0 JFAAMO CSCCCNc1cc(C(=O)N2CCC[N@@H+](C)CC2)cc(S(=O)(=O)NC(C)(C)C)c1 ZINC000014732471 525484298 /nfs/dbraw/zinc/48/42/98/525484298.db2.gz IOJKOSDYISTGLM-UHFFFAOYSA-N 1 1 456.678 2.706 50 0 JFAAMO Cc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC[NH+]4CCOCC4)CC3)cc2)cc1C ZINC000033115436 525603565 /nfs/dbraw/zinc/60/35/65/525603565.db2.gz IXFXRETWQOHQPG-UHFFFAOYSA-N 1 1 471.623 2.974 50 0 JFAAMO Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000022466950 525621606 /nfs/dbraw/zinc/62/16/06/525621606.db2.gz LLEVGZKFCJRFOX-GOSISDBHSA-N 1 1 454.596 2.970 50 0 JFAAMO Cc1c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000022466950 525621614 /nfs/dbraw/zinc/62/16/14/525621614.db2.gz LLEVGZKFCJRFOX-GOSISDBHSA-N 1 1 454.596 2.970 50 0 JFAAMO Cc1ccsc1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014994060 525820880 /nfs/dbraw/zinc/82/08/80/525820880.db2.gz CFXSGJPNIBSZHX-OAQYLSRUSA-N 1 1 470.639 2.604 50 0 JFAAMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N23)cc1 ZINC000020411534 525867974 /nfs/dbraw/zinc/86/79/74/525867974.db2.gz CRNYFUWRNUEGKU-RPLLCQBOSA-N 1 1 472.589 2.884 50 0 biogenic JFAAMO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000033059043 526458874 /nfs/dbraw/zinc/45/88/74/526458874.db2.gz ALKTVJLZLGWHND-GQCTYLIASA-N 1 1 494.564 2.606 50 0 JFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000008747330 526727088 /nfs/dbraw/zinc/72/70/88/526727088.db2.gz JFVSCPSHJIIKAE-UHFFFAOYSA-N 1 1 466.538 2.541 50 0 JFAAMO O=c1oc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2n1Cc1noc(C2CC2)n1 ZINC000064946916 527498509 /nfs/dbraw/zinc/49/85/09/527498509.db2.gz NFWNYLKFTBGGLB-UHFFFAOYSA-N 1 1 487.582 2.542 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061216 527667931 /nfs/dbraw/zinc/66/79/31/527667931.db2.gz FTMMXGIJINDQSQ-UHFFFAOYSA-N 1 1 464.595 2.728 50 0 JFAAMO CN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000000908328 553840643 /nfs/dbraw/zinc/84/06/43/553840643.db2.gz FSBPKYUURRDTRH-UHFFFAOYSA-N 1 1 450.587 2.836 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32c3cccc(CC)c3NC2=O)cc1 ZINC000002130113 554059923 /nfs/dbraw/zinc/05/99/23/554059923.db2.gz DWZCDFFQIFCPHF-WFQVPWNOSA-N 1 1 473.529 2.857 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cn3c(cccc3C)n2)c1 ZINC000009466153 555241836 /nfs/dbraw/zinc/24/18/36/555241836.db2.gz NTTLMPICKOERGJ-UHFFFAOYSA-N 1 1 484.626 2.677 50 0 JFAAMO CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000009677305 555401538 /nfs/dbraw/zinc/40/15/38/555401538.db2.gz GEICVRNQDRRPIF-UHFFFAOYSA-N 1 1 483.634 2.930 50 0 JFAAMO Cn1c2nc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)[nH]c1=O ZINC000009714414 555443514 /nfs/dbraw/zinc/44/35/14/555443514.db2.gz YKEGPFHSIPRZMH-POHAHGRESA-N 1 1 490.995 2.960 50 0 JFAAMO CCOc1ccc(C[N@H+]2CCc3c(C(=O)N4CCSCC4)c(OC)cc(=O)n3CC2)cc1 ZINC000019835618 555506832 /nfs/dbraw/zinc/50/68/32/555506832.db2.gz GUHFIFWVSINFMS-UHFFFAOYSA-N 1 1 457.596 2.503 50 0 JFAAMO CCOc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCSCC4)c(OC)cc(=O)n3CC2)cc1 ZINC000019835618 555506835 /nfs/dbraw/zinc/50/68/35/555506835.db2.gz GUHFIFWVSINFMS-UHFFFAOYSA-N 1 1 457.596 2.503 50 0 JFAAMO CCOC(=O)c1c(C)n(C[C@@H](O)C[NH+]2CCOCC2)c2cc(Br)c(OC)cc21 ZINC000019858006 555519141 /nfs/dbraw/zinc/51/91/41/555519141.db2.gz YUSYRDPYBOFPQQ-AWEZNQCLSA-N 1 1 455.349 2.591 50 0 JFAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(N4CCNC4=O)c2)CCO3)C[C@H](C)O1 ZINC000019865241 555521059 /nfs/dbraw/zinc/52/10/59/555521059.db2.gz LGZQTZPHXQUEPO-KDURUIRLSA-N 1 1 464.566 2.860 50 0 JFAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(C(=O)c2cccc(N4CCNC4=O)c2)CCO3)C[C@H](C)O1 ZINC000019865241 555521065 /nfs/dbraw/zinc/52/10/65/555521065.db2.gz LGZQTZPHXQUEPO-KDURUIRLSA-N 1 1 464.566 2.860 50 0 JFAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[NH+](CCO)CC1)c1ccccc1CC2 ZINC000019866383 555521408 /nfs/dbraw/zinc/52/14/08/555521408.db2.gz ZDVNOSSLXBFBLQ-UHFFFAOYSA-N 1 1 452.555 2.628 50 0 JFAAMO O=C(CN1c2ccccc2SCCC1=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009833379 555535753 /nfs/dbraw/zinc/53/57/53/555535753.db2.gz IFTPGJFQULOQRP-UHFFFAOYSA-N 1 1 456.587 2.983 50 0 JFAAMO C[N@@H+](CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)Cc1ccccc1 ZINC000009838248 555542665 /nfs/dbraw/zinc/54/26/65/555542665.db2.gz KFJPSJVCCNEAHD-IBGZPJMESA-N 1 1 487.651 2.730 50 0 JFAAMO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019938141 555555805 /nfs/dbraw/zinc/55/58/05/555555805.db2.gz IDVAPVMYKABNGO-UHFFFAOYSA-N 1 1 466.003 2.758 50 0 JFAAMO Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)CC2=O)cc1 ZINC000019943579 555561961 /nfs/dbraw/zinc/56/19/61/555561961.db2.gz MDLBJTRAGVRIJB-RUZDIDTESA-N 1 1 488.632 2.931 50 0 JFAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114241 555652089 /nfs/dbraw/zinc/65/20/89/555652089.db2.gz DPEFZHWJFLKLNV-RPWUZVMVSA-N 1 1 485.556 2.592 50 0 JFAAMO Cc1cc(=O)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(Cc2cccc(F)c2)n1CCC[NH+]1CCOCC1 ZINC000020119469 555655218 /nfs/dbraw/zinc/65/52/18/555655218.db2.gz ZPCLRBMMTFVLAN-OYRHEFFESA-N 1 1 485.600 2.858 50 0 JFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000014019651 555672351 /nfs/dbraw/zinc/67/23/51/555672351.db2.gz LTORDKCHNCXMDX-UHFFFAOYSA-N 1 1 482.928 2.939 50 0 JFAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000014093324 555685875 /nfs/dbraw/zinc/68/58/75/555685875.db2.gz HIYNDROYEUHNPI-HOFKKMOUSA-N 1 1 456.546 2.998 50 0 JFAAMO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000020181944 555689291 /nfs/dbraw/zinc/68/92/91/555689291.db2.gz CDGLJUVOEQNZSV-UHFFFAOYSA-N 1 1 477.030 2.740 50 0 JFAAMO COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000020230735 555721074 /nfs/dbraw/zinc/72/10/74/555721074.db2.gz PYAZMWWFUVXJDR-MOHJPFBDSA-N 1 1 476.577 2.796 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1 ZINC000020240644 555735745 /nfs/dbraw/zinc/73/57/45/555735745.db2.gz LOGZYAQWRSCUDZ-UHFFFAOYSA-N 1 1 460.474 2.724 50 0 JFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000020287993 555756556 /nfs/dbraw/zinc/75/65/56/555756556.db2.gz BLYAMWGFLGFKHB-WZONZLPQSA-N 1 1 467.639 2.772 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288304 555757463 /nfs/dbraw/zinc/75/74/63/555757463.db2.gz QQDYYQLBYLDUKB-WMZHIEFXSA-N 1 1 463.607 2.828 50 0 JFAAMO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020355003 555782435 /nfs/dbraw/zinc/78/24/35/555782435.db2.gz VYXJEXFZNHDQLI-UHFFFAOYSA-N 1 1 453.546 2.727 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530918 555798362 /nfs/dbraw/zinc/79/83/62/555798362.db2.gz UFXBUCZIKGTDKL-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)Cc2ccc(NC(=O)N3CCSc4ncccc43)cc2)CC1 ZINC000020565248 555819837 /nfs/dbraw/zinc/81/98/37/555819837.db2.gz MUEOIVFGMAJIGM-UHFFFAOYSA-N 1 1 468.627 2.522 50 0 JFAAMO CC(C)(C)N1C(=O)[C@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000020572271 555823940 /nfs/dbraw/zinc/82/39/40/555823940.db2.gz OHOFGOANDVJBSY-QRYDCHBUSA-N 1 1 471.916 2.732 50 0 JFAAMO Cc1csc(-c2cc(C(=O)NC[C@H]3CCCC[N@@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014541707 555832401 /nfs/dbraw/zinc/83/24/01/555832401.db2.gz FSMMRRPCGNTSGF-HXUWFJFHSA-N 1 1 477.652 2.959 50 0 JFAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000014992584 555842240 /nfs/dbraw/zinc/84/22/40/555842240.db2.gz JKOALWVJORPCAX-VWLOTQADSA-N 1 1 473.577 2.688 50 0 JFAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000015001641 555846602 /nfs/dbraw/zinc/84/66/02/555846602.db2.gz RPLXEMKGRISWLO-GJZUVCINSA-N 1 1 466.557 2.606 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O ZINC000020775297 555847725 /nfs/dbraw/zinc/84/77/25/555847725.db2.gz NSTCQLGMLVOYOZ-QGZVFWFLSA-N 1 1 465.554 2.940 50 0 JFAAMO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000015074187 555871988 /nfs/dbraw/zinc/87/19/88/555871988.db2.gz JZBXGPGCLXYQKA-UHFFFAOYSA-N 1 1 450.967 2.810 50 0 JFAAMO CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996322 555878115 /nfs/dbraw/zinc/87/81/15/555878115.db2.gz CQKLRDWQBZAUOQ-QHCPKHFHSA-N 1 1 462.554 2.630 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000012000069 555882157 /nfs/dbraw/zinc/88/21/57/555882157.db2.gz AXGYUAKQPKELBZ-QMEHBSBUSA-N 1 1 493.608 2.830 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@H+](Cc3ccccc3C)C2)nn1 ZINC000011999347 555882205 /nfs/dbraw/zinc/88/22/05/555882205.db2.gz BZKWSTISOFBIBK-REWPJTCUSA-N 1 1 463.538 2.514 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](Cc3ccccc3C)C2)nn1 ZINC000011999347 555882207 /nfs/dbraw/zinc/88/22/07/555882207.db2.gz BZKWSTISOFBIBK-REWPJTCUSA-N 1 1 463.538 2.514 50 0 JFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000022227990 555886982 /nfs/dbraw/zinc/88/69/82/555886982.db2.gz HNILSPYFVIHQDI-UHFFFAOYSA-N 1 1 459.587 2.879 50 0 JFAAMO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000012036637 555889777 /nfs/dbraw/zinc/88/97/77/555889777.db2.gz AKIRNNHAVYFEMO-IBGZPJMESA-N 1 1 454.571 2.594 50 0 JFAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012132392 555912316 /nfs/dbraw/zinc/91/23/16/555912316.db2.gz ROHDLGRJRIRGCS-QFIPXVFZSA-N 1 1 460.538 2.898 50 0 JFAAMO COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022296631 555918259 /nfs/dbraw/zinc/91/82/59/555918259.db2.gz ICQJDOIGWVGMLD-IYBDPMFKSA-N 1 1 466.629 2.798 50 0 JFAAMO COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022296631 555918260 /nfs/dbraw/zinc/91/82/60/555918260.db2.gz ICQJDOIGWVGMLD-IYBDPMFKSA-N 1 1 466.629 2.798 50 0 JFAAMO COC(=O)c1sc(NC(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(C(=O)OC)c1C ZINC000022373356 555926877 /nfs/dbraw/zinc/92/68/77/555926877.db2.gz SWNNHUMBGXLATI-UHFFFAOYSA-N 1 1 477.558 2.915 50 0 JFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)C1 ZINC000015726329 555964555 /nfs/dbraw/zinc/96/45/55/555964555.db2.gz WFJQYZAIXDWWJV-LJQANCHMSA-N 1 1 486.569 2.768 50 0 JFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCCc4c(C)noc4C)CC3)n2)cc1OC ZINC000015726473 555965083 /nfs/dbraw/zinc/96/50/83/555965083.db2.gz CONLJFZGLKQXAW-UHFFFAOYSA-N 1 1 469.542 2.930 50 0 JFAAMO CCOc1ccccc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2 ZINC000022908951 555965886 /nfs/dbraw/zinc/96/58/86/555965886.db2.gz MDCKWBGLOVPRJR-UHFFFAOYSA-N 1 1 472.611 2.584 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1ccccc1Cl ZINC000022909040 555966441 /nfs/dbraw/zinc/96/64/41/555966441.db2.gz UOUBAKRJTKYOPH-UHFFFAOYSA-N 1 1 463.003 2.839 50 0 JFAAMO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1 ZINC000022909260 555967216 /nfs/dbraw/zinc/96/72/16/555967216.db2.gz YSQWNCLBCINTBR-UHFFFAOYSA-N 1 1 456.612 2.884 50 0 JFAAMO CNC(=O)c1nn(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(=O)c2ccccc21 ZINC000022912533 555968069 /nfs/dbraw/zinc/96/80/69/555968069.db2.gz CHSPPVMUEPZYLU-UHFFFAOYSA-N 1 1 459.472 2.550 50 0 JFAAMO CC(C)[C@@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000022912969 555968388 /nfs/dbraw/zinc/96/83/88/555968388.db2.gz AAXGDUUOJANIMQ-RUZDIDTESA-N 1 1 474.646 2.584 50 0 JFAAMO CC(C)[C@@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000022912969 555968391 /nfs/dbraw/zinc/96/83/91/555968391.db2.gz AAXGDUUOJANIMQ-RUZDIDTESA-N 1 1 474.646 2.584 50 0 JFAAMO C[C@H]1CSc2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2NC1=O ZINC000015731171 555973989 /nfs/dbraw/zinc/97/39/89/555973989.db2.gz FJGCYSHSCCLVOM-SFHVURJKSA-N 1 1 474.652 2.858 50 0 JFAAMO CCOC(=O)c1c2cc(OC[C@@H](O)CN3CC[NH+](CCO)CC3)ccc2oc1-c1ccccc1 ZINC000022927915 555978505 /nfs/dbraw/zinc/97/85/05/555978505.db2.gz FFQWHBQDWDLBEX-FQEVSTJZSA-N 1 1 468.550 2.626 50 0 JFAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022942460 555993147 /nfs/dbraw/zinc/99/31/47/555993147.db2.gz QLZOMMMZOUPRJG-XMMPIXPASA-N 1 1 499.611 2.982 50 0 JFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)C[C@@H](C)O1 ZINC000023181791 556027925 /nfs/dbraw/zinc/02/79/25/556027925.db2.gz XSLBRCPDKCBVSD-IAGOWNOFSA-N 1 1 459.616 2.769 50 0 JFAAMO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023248505 556034522 /nfs/dbraw/zinc/03/45/22/556034522.db2.gz RVIFOIOHUVZQTP-UHFFFAOYSA-N 1 1 479.650 2.563 50 0 JFAAMO CC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH+](Cc4ccccc4C)CC3)CC2)c(F)c1 ZINC000012561560 556054719 /nfs/dbraw/zinc/05/47/19/556054719.db2.gz GKOQWVAAWQRUEN-UHFFFAOYSA-N 1 1 452.574 2.803 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001376 556106350 /nfs/dbraw/zinc/10/63/50/556106350.db2.gz ZSSMDIFBPOICDY-KHTISZTLSA-N 1 1 479.920 2.851 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001376 556106352 /nfs/dbraw/zinc/10/63/52/556106352.db2.gz ZSSMDIFBPOICDY-KHTISZTLSA-N 1 1 479.920 2.851 50 0 JFAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016032824 556117023 /nfs/dbraw/zinc/11/70/23/556117023.db2.gz UHDGPGNZVLIZPB-KKPNIWNPSA-N 1 1 459.502 2.606 50 0 biogenic JFAAMO Cc1cc(-c2csc(N3CC[NH+](C)CC3)n2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000024767127 556152849 /nfs/dbraw/zinc/15/28/49/556152849.db2.gz PGIOBZAOBHSRGF-UHFFFAOYSA-N 1 1 477.594 2.611 50 0 JFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000024987985 556169965 /nfs/dbraw/zinc/16/99/65/556169965.db2.gz LDULLRYNAIDUJV-SFHVURJKSA-N 1 1 467.975 2.521 50 0 JFAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000025050690 556174577 /nfs/dbraw/zinc/17/45/77/556174577.db2.gz INVMALHMZYBJIF-UHFFFAOYSA-N 1 1 492.584 2.867 50 0 JFAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000012985699 556179315 /nfs/dbraw/zinc/17/93/15/556179315.db2.gz UROWBZXFQKPYQR-UHFFFAOYSA-N 1 1 453.495 2.866 50 0 JFAAMO CC(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000012998715 556191259 /nfs/dbraw/zinc/19/12/59/556191259.db2.gz YFZOOKPYSNZMNY-HXUWFJFHSA-N 1 1 466.420 2.774 50 0 JFAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@H]4CC(=O)N(c5cccc(C)c5)C4=O)CC3)n2)cc1OC ZINC000025174569 556202274 /nfs/dbraw/zinc/20/22/74/556202274.db2.gz RMSZSQUGDRHBCH-FQEVSTJZSA-N 1 1 476.537 2.635 50 0 JFAAMO C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025265684 556206904 /nfs/dbraw/zinc/20/69/04/556206904.db2.gz SZCQTGGUHRCPCJ-OAQYLSRUSA-N 1 1 499.633 2.751 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000017288397 556251427 /nfs/dbraw/zinc/25/14/27/556251427.db2.gz WMTMMPLSHHBIBO-IBGZPJMESA-N 1 1 497.621 2.553 50 0 JFAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013121058 556335495 /nfs/dbraw/zinc/33/54/95/556335495.db2.gz WLLSCKKTTHXSDG-QHCPKHFHSA-N 1 1 459.637 2.732 50 0 JFAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013121058 556335499 /nfs/dbraw/zinc/33/54/99/556335499.db2.gz WLLSCKKTTHXSDG-QHCPKHFHSA-N 1 1 459.637 2.732 50 0 JFAAMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000028724846 556340269 /nfs/dbraw/zinc/34/02/69/556340269.db2.gz FPZFRBTWPWRXBL-NRFANRHFSA-N 1 1 489.624 2.605 50 0 JFAAMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[NH+](CCO)CC1)c1ccccc1S2 ZINC000019338430 556342879 /nfs/dbraw/zinc/34/28/79/556342879.db2.gz LBKKPTSEVXPZJU-UHFFFAOYSA-N 1 1 456.568 2.994 50 0 JFAAMO COC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000019418721 556347881 /nfs/dbraw/zinc/34/78/81/556347881.db2.gz BGDYWGHYOLNDJU-HSZRJFAPSA-N 1 1 490.398 2.962 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000029999932 556362201 /nfs/dbraw/zinc/36/22/01/556362201.db2.gz XSMYXSITIWYMKE-AZUAARDMSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000029999932 556362203 /nfs/dbraw/zinc/36/22/03/556362203.db2.gz XSMYXSITIWYMKE-AZUAARDMSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000029999932 556362205 /nfs/dbraw/zinc/36/22/05/556362205.db2.gz XSMYXSITIWYMKE-AZUAARDMSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(Br)cc2)cc1 ZINC000019811997 556382501 /nfs/dbraw/zinc/38/25/01/556382501.db2.gz OWDGFSNJYBCBBI-UHFFFAOYSA-N 1 1 466.401 2.727 50 0 JFAAMO O=C([C@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000031808288 556405571 /nfs/dbraw/zinc/40/55/71/556405571.db2.gz DPBXXHAYZZZKQR-SFHVURJKSA-N 1 1 457.372 2.584 50 0 JFAAMO CC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000032803995 556497790 /nfs/dbraw/zinc/49/77/90/556497790.db2.gz GYVSMDREGHGJJY-UHFFFAOYSA-N 1 1 497.571 2.640 50 0 JFAAMO CC[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000032803995 556497794 /nfs/dbraw/zinc/49/77/94/556497794.db2.gz GYVSMDREGHGJJY-UHFFFAOYSA-N 1 1 497.571 2.640 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000032860317 556514590 /nfs/dbraw/zinc/51/45/90/556514590.db2.gz JTZLQVCTUNMWNF-GOSISDBHSA-N 1 1 457.596 2.961 50 0 JFAAMO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc(CC(=O)N3CCC[C@H]3C(=O)OC)cc2)CC1)C(=O)OC ZINC000055569030 569592149 /nfs/dbraw/zinc/59/21/49/569592149.db2.gz LHSZBLBWKMRSFD-OEOAZWSVSA-N 1 1 473.614 2.539 50 0 JFAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(C/C=C/c3ccccc3)c2c(=O)[nH]c1=O ZINC000056952848 569593576 /nfs/dbraw/zinc/59/35/76/569593576.db2.gz QWOIHWOKOJHCHJ-VMPITWQZSA-N 1 1 474.540 2.598 50 0 JFAAMO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008718882 569597214 /nfs/dbraw/zinc/59/72/14/569597214.db2.gz CDLSCAIJHWTAOZ-QHCPKHFHSA-N 1 1 478.593 2.686 50 0 JFAAMO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008718882 569597215 /nfs/dbraw/zinc/59/72/15/569597215.db2.gz CDLSCAIJHWTAOZ-QHCPKHFHSA-N 1 1 478.593 2.686 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414721 569600134 /nfs/dbraw/zinc/60/01/34/569600134.db2.gz OLDRZHHWDXBFLW-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CCC([NH+]3CCCCC3)CC2)C1C(=O)OC ZINC000057415692 569601041 /nfs/dbraw/zinc/60/10/41/569601041.db2.gz WIFXIAQHKGTJDU-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+]C3(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000062626273 569613810 /nfs/dbraw/zinc/61/38/10/569613810.db2.gz IMWLNMLZWMUZKZ-NRFANRHFSA-N 1 1 487.354 2.535 50 0 JFAAMO Cc1nc2ccccc2n(CCC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1=O ZINC000033005297 569614448 /nfs/dbraw/zinc/61/44/48/569614448.db2.gz QAXIPRRGKBEUPJ-UHFFFAOYSA-N 1 1 453.974 2.687 50 0 JFAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1CCC(CNS(=O)(=O)c2cccs2)CC1 ZINC000063453582 569615125 /nfs/dbraw/zinc/61/51/25/569615125.db2.gz FDOUREIVCRWWNB-UHFFFAOYSA-N 1 1 490.695 2.771 50 0 JFAAMO Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4cc(N(C)C)nc(C)[nH+]4)CC3)s2)cs1 ZINC000033318381 569623021 /nfs/dbraw/zinc/62/30/21/569623021.db2.gz QUPRVOKVLYLPGZ-UHFFFAOYSA-N 1 1 464.642 2.855 50 0 JFAAMO O=C(CCCn1c(=O)c2cccn2c2ccc(Br)cc21)NCCC[NH+]1CCOCC1 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COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000012601408 195046922 /nfs/dbraw/zinc/04/69/22/195046922.db2.gz FJUYBPALEBWYSD-XMMPIXPASA-N 1 1 480.609 2.932 50 0 JFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000012601408 195046925 /nfs/dbraw/zinc/04/69/25/195046925.db2.gz FJUYBPALEBWYSD-XMMPIXPASA-N 1 1 480.609 2.932 50 0 JFAAMO CN1CCN(C(=O)CCCc2cn(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c3ccccc23)CC1 ZINC000020759976 195217316 /nfs/dbraw/zinc/21/73/16/195217316.db2.gz MRTBIIFCQDOGCZ-LADGPHEKSA-N 1 1 487.648 2.977 50 0 biogenic JFAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)sc2ncnc(NC[C@H]3COc4ccccc4O3)c12 ZINC000020777480 195224221 /nfs/dbraw/zinc/22/42/21/195224221.db2.gz JFQQNSZKJKEOAL-KRWDZBQOSA-N 1 1 483.594 2.704 50 0 JFAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000020920290 195247692 /nfs/dbraw/zinc/24/76/92/195247692.db2.gz UBZCYHBEFBFEDZ-UHFFFAOYSA-N 1 1 451.546 2.776 50 0 JFAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000021526389 195304916 /nfs/dbraw/zinc/30/49/16/195304916.db2.gz KKOIVVBQVMEGMN-OALUTQOASA-N 1 1 477.671 2.580 50 0 JFAAMO CCC[C@@H](C)[N@H+]1Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2C1 ZINC000058330716 195378002 /nfs/dbraw/zinc/37/80/02/195378002.db2.gz APLOVBYWLZLFTN-QGZVFWFLSA-N 1 1 470.595 2.564 50 0 JFAAMO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCC[NH+]1CCN(c3cc(Cl)ccc3C)CC1)O2 ZINC000058065011 195364051 /nfs/dbraw/zinc/36/40/51/195364051.db2.gz HUUSBLFHDSPSPB-JOCHJYFZSA-N 1 1 456.974 2.985 50 0 JFAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000058095064 195364816 /nfs/dbraw/zinc/36/48/16/195364816.db2.gz DEHWSEOQRSIGIA-NRFANRHFSA-N 1 1 455.002 2.669 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000058218805 195374158 /nfs/dbraw/zinc/37/41/58/195374158.db2.gz IMGRHYGUGBKSGT-DZFGPLHGSA-N 1 1 460.600 2.644 50 0 JFAAMO CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000036310815 519578003 /nfs/dbraw/zinc/57/80/03/519578003.db2.gz GDXFYIRCALXTPF-JOCHJYFZSA-N 1 1 476.021 2.739 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000045945535 519838439 /nfs/dbraw/zinc/83/84/39/519838439.db2.gz UGWRISMCFWRNHT-FGZHOGPDSA-N 1 1 478.703 2.886 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945529 519838499 /nfs/dbraw/zinc/83/84/99/519838499.db2.gz UGWRISMCFWRNHT-SZPZYZBQSA-N 1 1 478.703 2.886 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000045945529 519838500 /nfs/dbraw/zinc/83/85/00/519838500.db2.gz UGWRISMCFWRNHT-SZPZYZBQSA-N 1 1 478.703 2.886 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000045945445 519838512 /nfs/dbraw/zinc/83/85/12/519838512.db2.gz SKJWQUXIYQUAJL-SZPZYZBQSA-N 1 1 478.703 2.601 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000045945445 519838513 /nfs/dbraw/zinc/83/85/13/519838513.db2.gz SKJWQUXIYQUAJL-SZPZYZBQSA-N 1 1 478.703 2.601 50 0 JFAAMO CCCCN(C)C(=O)c1cc(NS(=O)(=O)c2cc(OC)ccc2OC)ccc1N1CC[NH2+]CC1 ZINC000033121074 520393024 /nfs/dbraw/zinc/39/30/24/520393024.db2.gz WBRHSSOKIFGUEB-UHFFFAOYSA-N 1 1 490.626 2.786 50 0 JFAAMO CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)N5CC[NH+](C)CC5)n4ccn3n2)cc1 ZINC000064947053 520850837 /nfs/dbraw/zinc/85/08/37/520850837.db2.gz FKKSOUFFVGBMKQ-UHFFFAOYSA-N 1 1 461.570 2.930 50 0 JFAAMO CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033033207 521042451 /nfs/dbraw/zinc/04/24/51/521042451.db2.gz LZCOCSNAZQRQTR-UHFFFAOYSA-N 1 1 487.670 2.538 50 0 JFAAMO CCOc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CC[NH+](CC)CC3)c3ccccc32)cc1 ZINC000064971705 521080231 /nfs/dbraw/zinc/08/02/31/521080231.db2.gz KWEIPBKNUYPVIZ-UHFFFAOYSA-N 1 1 465.554 2.635 50 0 JFAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2sc3ncnc(NCCC[NH+]4CCOCC4)c3c2C)C1 ZINC000014990898 521298403 /nfs/dbraw/zinc/29/84/03/521298403.db2.gz OUUMCRNOWPGSMD-KRWDZBQOSA-N 1 1 475.615 2.549 50 0 JFAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N2CCCC2)C(=O)Nc2ccccc2O3)CC1 ZINC000064986569 521697390 /nfs/dbraw/zinc/69/73/90/521697390.db2.gz YCMHHEJWUKRDJL-UHFFFAOYSA-N 1 1 456.568 2.971 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(Br)c(C)c4)c(=O)c3s2)CC1 ZINC000021886458 521701489 /nfs/dbraw/zinc/70/14/89/521701489.db2.gz VSXYKKGOTKNWKQ-UHFFFAOYSA-N 1 1 491.415 2.705 50 0 JFAAMO CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022787396 521985470 /nfs/dbraw/zinc/98/54/70/521985470.db2.gz SHARQZMODQENJF-UHFFFAOYSA-N 1 1 472.636 2.908 50 0 JFAAMO COCCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697877 522063789 /nfs/dbraw/zinc/06/37/89/522063789.db2.gz LKZCJZBSTYZCIG-DEOSSOPVSA-N 1 1 452.530 2.954 50 0 JFAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697607 522064640 /nfs/dbraw/zinc/06/46/40/522064640.db2.gz WUNNALZTAXSXFS-VWLOTQADSA-N 1 1 464.566 2.824 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000014957337 522326021 /nfs/dbraw/zinc/32/60/21/522326021.db2.gz YLNUPLWNZMBDOX-IPUGHZNASA-N 1 1 469.611 2.883 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@@H+](CC3CCCCC3)C2)nn1 ZINC000014979036 522326667 /nfs/dbraw/zinc/32/66/67/522326667.db2.gz WLDUXOHGFLUNDP-IRLDBZIGSA-N 1 1 457.550 2.758 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F ZINC000012245224 522399429 /nfs/dbraw/zinc/39/94/29/522399429.db2.gz DJPIBLROMYUVHC-KRWDZBQOSA-N 1 1 453.518 2.740 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F ZINC000012245224 522399444 /nfs/dbraw/zinc/39/94/44/522399444.db2.gz DJPIBLROMYUVHC-KRWDZBQOSA-N 1 1 453.518 2.740 50 0 JFAAMO COc1cc2nc(CSCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)[nH]c(=O)c2cc1OC ZINC000043746982 523067568 /nfs/dbraw/zinc/06/75/68/523067568.db2.gz LCVVTZARYONMQS-YJBOKZPZSA-N 1 1 460.600 2.554 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](O)COC ZINC000036309043 523237222 /nfs/dbraw/zinc/23/72/22/523237222.db2.gz SWKOKIGVCWQFIP-KNQAVFIVSA-N 1 1 462.612 2.599 50 0 JFAAMO COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000025180022 523619271 /nfs/dbraw/zinc/61/92/71/523619271.db2.gz BHYVMLOYFVXWKB-LTGZKZEYSA-N 1 1 487.984 2.967 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COC ZINC000036309116 523647149 /nfs/dbraw/zinc/64/71/49/523647149.db2.gz BAHSCAMDIYSGBO-UGKGYDQZSA-N 1 1 462.612 2.517 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COC ZINC000036309116 523647157 /nfs/dbraw/zinc/64/71/57/523647157.db2.gz BAHSCAMDIYSGBO-UGKGYDQZSA-N 1 1 462.612 2.517 50 0 JFAAMO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000014744398 523801905 /nfs/dbraw/zinc/80/19/05/523801905.db2.gz XJUXJILHDUIVNF-UHFFFAOYSA-N 1 1 490.004 2.836 50 0 JFAAMO CN1CC[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCC2)CC1 ZINC000021864123 523897266 /nfs/dbraw/zinc/89/72/66/523897266.db2.gz LAAYQZYUJSYGLU-SANMLTNESA-N 1 1 467.614 2.659 50 0 JFAAMO Cc1ccc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NCCC[NH+]4CCOCC4)c(=O)c32)c1 ZINC000020415790 524110945 /nfs/dbraw/zinc/11/09/45/524110945.db2.gz CVYPTIKUTGEYNY-UHFFFAOYSA-N 1 1 487.604 2.855 50 0 JFAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000014981538 524559296 /nfs/dbraw/zinc/55/92/96/524559296.db2.gz YTZRTLGAARXGJO-OAQYLSRUSA-N 1 1 471.623 2.672 50 0 JFAAMO COc1ccccc1N1CC[NH+]([C@H]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000014981536 524562338 /nfs/dbraw/zinc/56/23/38/524562338.db2.gz YTZRTLGAARXGJO-NRFANRHFSA-N 1 1 471.623 2.672 50 0 JFAAMO COc1ccc(NC(=O)c2c3c(sc2NC(=O)CN2CC[NH+](C)CC2)CCC3)c(OC)c1 ZINC000022925075 524622217 /nfs/dbraw/zinc/62/22/17/524622217.db2.gz PVZOTQNEPCBEON-UHFFFAOYSA-N 1 1 458.584 2.692 50 0 JFAAMO COc1ccc(OC)c(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)c1 ZINC000014990082 524828921 /nfs/dbraw/zinc/82/89/21/524828921.db2.gz XRYKSFIWXNIMTG-FQEVSTJZSA-N 1 1 465.550 2.801 50 0 JFAAMO COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059601 524917078 /nfs/dbraw/zinc/91/70/78/524917078.db2.gz GNRIQUREYJQZEP-FGZHOGPDSA-N 1 1 471.985 2.987 50 0 JFAAMO Cc1c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000022466944 525626250 /nfs/dbraw/zinc/62/62/50/525626250.db2.gz LLEVGZKFCJRFOX-SFHVURJKSA-N 1 1 454.596 2.970 50 0 JFAAMO Cc1c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000022466944 525626257 /nfs/dbraw/zinc/62/62/57/525626257.db2.gz LLEVGZKFCJRFOX-SFHVURJKSA-N 1 1 454.596 2.970 50 0 JFAAMO Cc1ccc(-c2ccc(NCCC[NH+]3CCN(C)CC3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009321 525754877 /nfs/dbraw/zinc/75/48/77/525754877.db2.gz HHAROPDWQVVJMJ-UHFFFAOYSA-N 1 1 472.659 2.676 50 0 JFAAMO 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C[N@@H+](Cc1ccc2nsnc2c1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000012242812 555945831 /nfs/dbraw/zinc/94/58/31/555945831.db2.gz XXLBIIMUIMLHFQ-UHFFFAOYSA-N 1 1 494.665 2.854 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1cccc(Cl)c1 ZINC000022908976 555965984 /nfs/dbraw/zinc/96/59/84/555965984.db2.gz ULGDRVLNGHDBGL-UHFFFAOYSA-N 1 1 463.003 2.839 50 0 JFAAMO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1 ZINC000022909218 555966882 /nfs/dbraw/zinc/96/68/82/555966882.db2.gz XJKPQVMGXLRCIL-UHFFFAOYSA-N 1 1 472.611 2.584 50 0 JFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022919661 555973704 /nfs/dbraw/zinc/97/37/04/555973704.db2.gz QMDHZXLYKWSRBO-GOSISDBHSA-N 1 1 462.641 2.677 50 0 JFAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)oc4ncnc(N5CCOCC5)c43)cc2)CC1 ZINC000022937135 555989796 /nfs/dbraw/zinc/98/97/96/555989796.db2.gz MWCFSKCMVVMSOO-UHFFFAOYSA-N 1 1 464.570 2.758 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 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/nfs/dbraw/zinc/09/57/54/556095754.db2.gz DIWTTWWUMSAWBD-UHFFFAOYSA-N 1 1 499.633 2.511 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016024671 556115354 /nfs/dbraw/zinc/11/53/54/556115354.db2.gz KBMFWHVXHYDCLZ-AHQSTGFLSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000016024671 556115357 /nfs/dbraw/zinc/11/53/57/556115357.db2.gz KBMFWHVXHYDCLZ-AHQSTGFLSA-N 1 1 495.963 2.827 50 0 JFAAMO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000024612006 556141455 /nfs/dbraw/zinc/14/14/55/556141455.db2.gz KAZJNPSPADHMAT-UHFFFAOYSA-N 1 1 455.624 2.881 50 0 JFAAMO COc1ccc(OC)c(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016944485 556182356 /nfs/dbraw/zinc/18/23/56/556182356.db2.gz BSNMGOBVMISAPB-UHFFFAOYSA-N 1 1 475.553 2.691 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000016962163 556191589 /nfs/dbraw/zinc/19/15/89/556191589.db2.gz XBHVKBISVWILOU-OAQYLSRUSA-N 1 1 498.649 2.803 50 0 JFAAMO CCc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(n3nnc(-c4ccc(OC)c(OC)c4)n3)CC2)C1=O ZINC000025174591 556202578 /nfs/dbraw/zinc/20/25/78/556202578.db2.gz JZARTBITKALJPZ-NRFANRHFSA-N 1 1 490.564 2.889 50 0 JFAAMO O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000025285473 556207569 /nfs/dbraw/zinc/20/75/69/556207569.db2.gz QQDBPZFLDWTWIN-UHFFFAOYSA-N 1 1 456.568 2.719 50 0 JFAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013058374 556253870 /nfs/dbraw/zinc/25/38/70/556253870.db2.gz LUMVSMSHTBPVGF-INIZCTEOSA-N 1 1 451.976 2.820 50 0 JFAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013058374 556253872 /nfs/dbraw/zinc/25/38/72/556253872.db2.gz LUMVSMSHTBPVGF-INIZCTEOSA-N 1 1 451.976 2.820 50 0 JFAAMO CC(C)CCN(C(=O)C[N@@H+](C)C1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013063222 556259277 /nfs/dbraw/zinc/25/92/77/556259277.db2.gz CVKSLXOTOWSEMP-UHFFFAOYSA-N 1 1 455.603 2.811 50 0 JFAAMO CN1CCN(CCNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CC1 ZINC000019224774 556335925 /nfs/dbraw/zinc/33/59/25/556335925.db2.gz BWEDBXHFKZLBJN-UHFFFAOYSA-N 1 1 450.627 2.750 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000019334129 556342984 /nfs/dbraw/zinc/34/29/84/556342984.db2.gz JSPLWBMQQPHDNV-UHFFFAOYSA-N 1 1 481.622 2.654 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1ccc(SC)cc1)CC2 ZINC000019334129 556342985 /nfs/dbraw/zinc/34/29/85/556342985.db2.gz JSPLWBMQQPHDNV-UHFFFAOYSA-N 1 1 481.622 2.654 50 0 JFAAMO Cc1ccc2nc(COc3cccc(C(=O)NCCC[NH+]4CCN(c5ncccn5)CC4)c3)cn2c1 ZINC000029278690 556349649 /nfs/dbraw/zinc/34/96/49/556349649.db2.gz OWQPSEQCVFPVCW-UHFFFAOYSA-N 1 1 485.592 2.954 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019732931 556362972 /nfs/dbraw/zinc/36/29/72/556362972.db2.gz GRKVLWCACLLVHO-UHFFFAOYSA-N 1 1 456.543 2.783 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000019732931 556362974 /nfs/dbraw/zinc/36/29/74/556362974.db2.gz GRKVLWCACLLVHO-UHFFFAOYSA-N 1 1 456.543 2.783 50 0 JFAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000019795282 556373821 /nfs/dbraw/zinc/37/38/21/556373821.db2.gz BNWAZDHMLXCIJN-UHFFFAOYSA-N 1 1 466.401 2.560 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2nc(-c3ccc(F)cc3)cc3c2nc(C)n3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000032501626 556437131 /nfs/dbraw/zinc/43/71/31/556437131.db2.gz LORIPDMLAZXXTD-IBGZPJMESA-N 1 1 485.585 2.683 50 0 JFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)c1 ZINC000032671899 556468193 /nfs/dbraw/zinc/46/81/93/556468193.db2.gz GRSMFFKMUKNYHL-XMMPIXPASA-N 1 1 489.572 2.817 50 0 JFAAMO CN1CCN(C(=O)C2CC[NH+](CC(=O)N3CCc4sccc4[C@@H]3c3cccs3)CC2)CC1 ZINC000032928698 556545654 /nfs/dbraw/zinc/54/56/54/556545654.db2.gz WSCCAEIVYRCARA-HSZRJFAPSA-N 1 1 472.680 2.770 50 0 JFAAMO O=C(Nc1cccc(S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)c1)c1ccc(OC(F)F)cc1 ZINC000032937574 556552751 /nfs/dbraw/zinc/55/27/51/556552751.db2.gz YOOTXJBPCZASRB-IBGZPJMESA-N 1 1 451.495 2.913 50 0 JFAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000008583359 569592076 /nfs/dbraw/zinc/59/20/76/569592076.db2.gz NJSPQKLJOIHNMW-UHFFFAOYSA-N 1 1 462.616 2.555 50 0 JFAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000056952783 569593383 /nfs/dbraw/zinc/59/33/83/569593383.db2.gz NCCPPVUMGDFULS-UHFFFAOYSA-N 1 1 482.947 2.586 50 0 JFAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000056952742 569593479 /nfs/dbraw/zinc/59/34/79/569593479.db2.gz XCRPIEBZENAKEY-UHFFFAOYSA-N 1 1 482.947 2.586 50 0 JFAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952833 569593591 /nfs/dbraw/zinc/59/35/91/569593591.db2.gz BSOGNOTUFARHHZ-UHFFFAOYSA-N 1 1 476.556 2.517 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(CC)ccc3NC2=O)cc1 ZINC000059478094 569604810 /nfs/dbraw/zinc/60/48/10/569604810.db2.gz UYTQJFCWQDZMCT-JLFWUPFSSA-N 1 1 473.529 2.857 50 0 biogenic JFAAMO COc1cc(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000032974301 569605418 /nfs/dbraw/zinc/60/54/18/569605418.db2.gz RWDUEBKYYFVCKW-GOSISDBHSA-N 1 1 461.603 2.945 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987559 569609535 /nfs/dbraw/zinc/60/95/35/569609535.db2.gz YKTSZRNGVJGNDS-AWEZNQCLSA-N 1 1 451.980 2.951 50 0 JFAAMO COc1cc(NC(=O)c2cccs2)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000032987927 569609731 /nfs/dbraw/zinc/60/97/31/569609731.db2.gz OOUSKWPHBBZVEM-INIZCTEOSA-N 1 1 459.568 2.954 50 0 JFAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000062595253 569612768 /nfs/dbraw/zinc/61/27/68/569612768.db2.gz OSMXHSNQNLQTEZ-IBGZPJMESA-N 1 1 494.478 2.861 50 0 JFAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000062595253 569612769 /nfs/dbraw/zinc/61/27/69/569612769.db2.gz OSMXHSNQNLQTEZ-IBGZPJMESA-N 1 1 494.478 2.861 50 0 JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000062734771 569614818 /nfs/dbraw/zinc/61/48/18/569614818.db2.gz IHPVMJZKBABXDO-IBGZPJMESA-N 1 1 498.070 2.916 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000062734771 569614819 /nfs/dbraw/zinc/61/48/19/569614819.db2.gz IHPVMJZKBABXDO-IBGZPJMESA-N 1 1 498.070 2.916 50 0 JFAAMO CCc1nn(CC(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3sccc3n21 ZINC000063502962 569615303 /nfs/dbraw/zinc/61/53/03/569615303.db2.gz NTLJWKCWRHPRAR-UHFFFAOYSA-N 1 1 492.649 2.828 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)CSc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000033011551 569617060 /nfs/dbraw/zinc/61/70/60/569617060.db2.gz XGCBXDOHTDDJOC-UHFFFAOYSA-N 1 1 483.063 2.680 50 0 JFAAMO COc1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000064836051 569636778 /nfs/dbraw/zinc/63/67/78/569636778.db2.gz OOASKFSRWREZRP-UHFFFAOYSA-N 1 1 473.533 2.861 50 0 JFAAMO C[NH+]1CCN(c2nc(N3CCCCC3)nc3c2CN(C(=O)c2ccc(F)cc2F)CC3)CC1 ZINC000034677011 569641798 /nfs/dbraw/zinc/64/17/98/569641798.db2.gz ZZLQQDHTTGLMAC-UHFFFAOYSA-N 1 1 456.541 2.695 50 0 JFAAMO Cc1cccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COCc4ccccc4)CC3)n2)c1 ZINC000034677315 569641935 /nfs/dbraw/zinc/64/19/35/569641935.db2.gz ZKDGMPFVBMJLBD-HSZRJFAPSA-N 1 1 464.566 2.931 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(-n2nnc3cccnc32)cc1 ZINC000064896421 569644959 /nfs/dbraw/zinc/64/49/59/569644959.db2.gz VHMZTWPWTVDFNF-UHFFFAOYSA-N 1 1 455.566 2.753 50 0 JFAAMO CC[NH+]1CCN(c2ccc(NC(=O)COC)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919648 569672169 /nfs/dbraw/zinc/67/21/69/569672169.db2.gz QBFYRHCFSQEPKR-QFIPXVFZSA-N 1 1 486.638 2.769 50 0 JFAAMO COCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@H]2c2cccc(OC)c2)CC1 ZINC000034928128 569673371 /nfs/dbraw/zinc/67/33/71/569673371.db2.gz PHXHXXAMMRJISW-DQEYMECFSA-N 1 1 463.578 2.929 50 0 JFAAMO O=C(Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067218741 569680358 /nfs/dbraw/zinc/68/03/58/569680358.db2.gz ADQQCCJGIAJFHY-UHFFFAOYSA-N 1 1 496.539 2.837 50 0 JFAAMO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@H]4C)C3)n2)cc1OC ZINC000035331930 569681088 /nfs/dbraw/zinc/68/10/88/569681088.db2.gz YVPLBBZMVKEZGX-UYAOXDASSA-N 1 1 471.602 2.956 50 0 JFAAMO COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000035421914 569692390 /nfs/dbraw/zinc/69/23/90/569692390.db2.gz PQHSOBVWTTXBHU-UHFFFAOYSA-N 1 1 464.610 2.624 50 0 JFAAMO O=C(CCN(CCC[NH+]1CCCCC1)C(=O)c1ccc(Br)cc1)N1CCNCC1 ZINC000035422001 569692425 /nfs/dbraw/zinc/69/24/25/569692425.db2.gz VNWVGDZUGCJDPN-UHFFFAOYSA-N 1 1 465.436 2.589 50 0 JFAAMO O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000069978723 569694450 /nfs/dbraw/zinc/69/44/50/569694450.db2.gz TXJMXSBTLOLOPA-UHFFFAOYSA-N 1 1 468.941 2.991 50 0 JFAAMO COc1cc(NC(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000072139187 569699707 /nfs/dbraw/zinc/69/97/07/569699707.db2.gz LSCUNQNDPOGAAW-UHFFFAOYSA-N 1 1 456.547 2.765 50 0 JFAAMO COc1ccc(CCN(C)CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)cc1OC ZINC000072277119 569701624 /nfs/dbraw/zinc/70/16/24/569701624.db2.gz RYLHMFFGKPNGOV-SANMLTNESA-N 1 1 466.582 2.722 50 0 JFAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@H](C)O1 ZINC000084706370 569709553 /nfs/dbraw/zinc/70/95/53/569709553.db2.gz ZCBGBFVWZBPKDS-VNTSLDCZSA-N 1 1 460.644 2.638 50 0 JFAAMO CCCCCC(=O)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926535 569729725 /nfs/dbraw/zinc/72/97/25/569729725.db2.gz FUZPOHTXNJUQTG-UHFFFAOYSA-N 1 1 466.630 2.711 50 0 JFAAMO O=C(c1ccccc1Cl)N1CCN(c2nc(C[N@@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926463 569729874 /nfs/dbraw/zinc/72/98/74/569729874.db2.gz TYPZACINLONDCX-UHFFFAOYSA-N 1 1 463.969 2.944 50 0 JFAAMO O=C(c1ccccc1Cl)N1CCN(c2nc(C[N@H+]3CCc4ccccc4C3)cc(=O)[nH]2)CC1 ZINC000035926463 569729875 /nfs/dbraw/zinc/72/98/75/569729875.db2.gz TYPZACINLONDCX-UHFFFAOYSA-N 1 1 463.969 2.944 50 0 JFAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C5CCCCC5)CC4)n3)CC2)cc1C ZINC000035926634 569729907 /nfs/dbraw/zinc/72/99/07/569729907.db2.gz SHXIPPHOEPMOGG-UHFFFAOYSA-N 1 1 492.668 2.938 50 0 JFAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccccc5C)CC4)n3)CC2)cc1 ZINC000035926751 569730104 /nfs/dbraw/zinc/73/01/04/569730104.db2.gz NIRXLEVAHIFZOA-UHFFFAOYSA-N 1 1 486.620 2.671 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793193 569743011 /nfs/dbraw/zinc/74/30/11/569743011.db2.gz PJCHIHFCTMDRSC-YKSBVNFPSA-N 1 1 477.634 2.823 50 0 JFAAMO 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ZINC000009714302 555442785 /nfs/dbraw/zinc/44/27/85/555442785.db2.gz MTEXETGYGUCISB-YFHOEESVSA-N 1 1 484.604 2.924 50 0 JFAAMO CCn1cc(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009725599 555458407 /nfs/dbraw/zinc/45/84/07/555458407.db2.gz HNVKQEWHTPQHPX-UHFFFAOYSA-N 1 1 498.649 2.912 50 0 JFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009728642 555462829 /nfs/dbraw/zinc/46/28/29/555462829.db2.gz FLQNNCZSLRQKQR-QHCPKHFHSA-N 1 1 499.633 2.659 50 0 JFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000009728642 555462831 /nfs/dbraw/zinc/46/28/31/555462831.db2.gz FLQNNCZSLRQKQR-QHCPKHFHSA-N 1 1 499.633 2.659 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000019928983 555545164 /nfs/dbraw/zinc/54/51/64/555545164.db2.gz NVABWQMFTGWAEA-UHFFFAOYSA-N 1 1 466.003 2.704 50 0 JFAAMO Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)CC2=O)cc1 ZINC000019943575 555561991 /nfs/dbraw/zinc/56/19/91/555561991.db2.gz MDLBJTRAGVRIJB-VWLOTQADSA-N 1 1 488.632 2.931 50 0 JFAAMO COc1cc2cc(C(=O)NCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)[nH]c2cc1OC ZINC000013690700 555584817 /nfs/dbraw/zinc/58/48/17/555584817.db2.gz BADYVCOKYGOJQP-UHFFFAOYSA-N 1 1 450.539 2.649 50 0 JFAAMO O[C@@H](COc1ccc(Cl)cc1)CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000020064984 555624871 /nfs/dbraw/zinc/62/48/71/555624871.db2.gz NVORDKNEFAUQNW-WOJBJXKFSA-N 1 1 455.382 2.791 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)CC1 ZINC000020108843 555643969 /nfs/dbraw/zinc/64/39/69/555643969.db2.gz UBTJKYGRVODZEU-IZZNHLLZSA-N 1 1 496.627 2.897 50 0 JFAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014140333 555705999 /nfs/dbraw/zinc/70/59/99/555705999.db2.gz XEMHQPPONVWRQL-OXJNMPFZSA-N 1 1 459.568 2.510 50 0 JFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014140333 555706001 /nfs/dbraw/zinc/70/60/01/555706001.db2.gz XEMHQPPONVWRQL-OXJNMPFZSA-N 1 1 459.568 2.510 50 0 JFAAMO COc1ccccc1C(=O)N/C(=C\c1cn(C)c2ccccc12)C(=O)NCCC[NH+]1CCOCC1 ZINC000020227943 555718441 /nfs/dbraw/zinc/71/84/41/555718441.db2.gz QJSDSPDKQKARNP-NKFKGCMQSA-N 1 1 476.577 2.796 50 0 JFAAMO COc1ccccc1[C@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+](C)C ZINC000014190539 555728970 /nfs/dbraw/zinc/72/89/70/555728970.db2.gz JTHJPXGNWGTHAF-KRWDZBQOSA-N 1 1 491.518 2.787 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 ZINC000014242970 555745533 /nfs/dbraw/zinc/74/55/33/555745533.db2.gz FAOTUUKPIXQZPQ-HSZRJFAPSA-N 1 1 496.583 2.907 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 ZINC000014242970 555745536 /nfs/dbraw/zinc/74/55/36/555745536.db2.gz FAOTUUKPIXQZPQ-HSZRJFAPSA-N 1 1 496.583 2.907 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000014246065 555748786 /nfs/dbraw/zinc/74/87/86/555748786.db2.gz SYYDTVSOBYATFE-DEOSSOPVSA-N 1 1 497.640 2.640 50 0 JFAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000014252388 555754401 /nfs/dbraw/zinc/75/44/01/555754401.db2.gz SGWDIKIJGIWORB-SFHVURJKSA-N 1 1 466.003 2.572 50 0 JFAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000014253564 555755247 /nfs/dbraw/zinc/75/52/47/555755247.db2.gz RGQHNWOSLYFFCN-UHFFFAOYSA-N 1 1 456.568 2.962 50 0 JFAAMO CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCC[NH+]1CCOCC1 ZINC000020568050 555821409 /nfs/dbraw/zinc/82/14/09/555821409.db2.gz HTRYMYXNFYLVDV-UHFFFAOYSA-N 1 1 457.596 2.824 50 0 JFAAMO NC(=O)[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011820419 555831283 /nfs/dbraw/zinc/83/12/83/555831283.db2.gz UIFLTDVAVNYFFE-SFHVURJKSA-N 1 1 451.958 2.884 50 0 JFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011820419 555831285 /nfs/dbraw/zinc/83/12/85/555831285.db2.gz UIFLTDVAVNYFFE-SFHVURJKSA-N 1 1 451.958 2.884 50 0 JFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000011839141 555832249 /nfs/dbraw/zinc/83/22/49/555832249.db2.gz FQVLELOTJWUMOB-IPXVJXLASA-N 1 1 453.587 2.708 50 0 JFAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)CC2)CC1 ZINC000020580017 555834458 /nfs/dbraw/zinc/83/44/58/555834458.db2.gz JYNPFPQSMUPPQM-UHFFFAOYSA-N 1 1 458.628 2.612 50 0 JFAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@]1(c2ccccc2)CC(=O)N(CCCOc2cccnc2)C1=O ZINC000020600110 555841444 /nfs/dbraw/zinc/84/14/44/555841444.db2.gz YKYFKWFRDHCRPL-YWEHKCAJSA-N 1 1 492.620 2.736 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cccc(OC)c4)n3CC2)ccc1O ZINC000020775300 555847660 /nfs/dbraw/zinc/84/76/60/555847660.db2.gz NSTCQLGMLVOYOZ-KRWDZBQOSA-N 1 1 465.554 2.940 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1OC ZINC000011880894 555848980 /nfs/dbraw/zinc/84/89/80/555848980.db2.gz BBVBHLHKHVFYII-GOSISDBHSA-N 1 1 495.580 2.618 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)[N@H+](Cc3cc(C)ccc3C)C2)nn1 ZINC000011881391 555849533 /nfs/dbraw/zinc/84/95/33/555849533.db2.gz REXHBALLQXVSFA-UPVQGACJSA-N 1 1 461.566 2.856 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccccc3)[N@@H+](Cc3cc(C)ccc3C)C2)nn1 ZINC000011881391 555849536 /nfs/dbraw/zinc/84/95/36/555849536.db2.gz REXHBALLQXVSFA-UPVQGACJSA-N 1 1 461.566 2.856 50 0 JFAAMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)[NH+](C)C)cc1 ZINC000011997999 555880370 /nfs/dbraw/zinc/88/03/70/555880370.db2.gz KBMQFGIITZIIGF-NRFANRHFSA-N 1 1 493.651 2.533 50 0 JFAAMO Cc1ccc(CN2Cc3ccccc3N(CC(=O)N3CCC([N@H+]4CCNC(=O)CC4)CC3)C2=O)cc1 ZINC000012035035 555888534 /nfs/dbraw/zinc/88/85/34/555888534.db2.gz PRPRTOUOBAHPER-UHFFFAOYSA-N 1 1 489.620 2.750 50 0 JFAAMO COc1cc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c(C)cc1C ZINC000015671290 555928141 /nfs/dbraw/zinc/92/81/41/555928141.db2.gz UKGYKBYDYFOOKU-UHFFFAOYSA-N 1 1 459.616 2.912 50 0 JFAAMO CCc1[nH+]ccn1CCC(=O)N1CCOc2ccc(CN3CCCC[C@H]3C(=O)OC)cc2C1 ZINC000012158704 555929540 /nfs/dbraw/zinc/92/95/40/555929540.db2.gz UHKLCUVKYQGYIW-NRFANRHFSA-N 1 1 454.571 2.784 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000012190372 555937462 /nfs/dbraw/zinc/93/74/62/555937462.db2.gz HPJGSLCQCYVSIQ-VWNXMTODSA-N 1 1 479.556 2.995 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000012190372 555937465 /nfs/dbraw/zinc/93/74/65/555937465.db2.gz HPJGSLCQCYVSIQ-VWNXMTODSA-N 1 1 479.556 2.995 50 0 JFAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)cc1OC ZINC000015726324 555964567 /nfs/dbraw/zinc/96/45/67/555964567.db2.gz PZQOBPURWWAPMZ-UHFFFAOYSA-N 1 1 492.580 2.710 50 0 JFAAMO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c(C)c1 ZINC000022908916 555965910 /nfs/dbraw/zinc/96/59/10/555965910.db2.gz OTIXWNYDYJCOML-UHFFFAOYSA-N 1 1 456.612 2.802 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)N1CCc2ccccc21 ZINC000022909247 555967264 /nfs/dbraw/zinc/96/72/64/555967264.db2.gz HNOSSUCUUHSZJR-UHFFFAOYSA-N 1 1 468.623 2.526 50 0 JFAAMO COc1ccc2c(c1)C[C@H](C(=O)NCCC[N@@H+](CCN1CCOCC1)Cc1cccs1)CO2 ZINC000022938013 555990998 /nfs/dbraw/zinc/99/09/98/555990998.db2.gz PSFCJJCBLOTAPM-NRFANRHFSA-N 1 1 473.639 2.649 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N2C(C)=O ZINC000015776027 555995708 /nfs/dbraw/zinc/99/57/08/555995708.db2.gz YJFWWTNZDJFXSL-DEOSSOPVSA-N 1 1 492.686 2.766 50 0 JFAAMO O=C(CCCc1nnc2c(=O)n(-c3cccc(F)c3)ccn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015779748 555998177 /nfs/dbraw/zinc/99/81/77/555998177.db2.gz KZCVLACFYHRAIR-UHFFFAOYSA-N 1 1 474.540 2.686 50 0 JFAAMO Cn1c2nc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000012531558 556001477 /nfs/dbraw/zinc/00/14/77/556001477.db2.gz LSEGQVMRTRMPHD-JXMROGBWSA-N 1 1 490.995 2.960 50 0 JFAAMO COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000023108654 556009558 /nfs/dbraw/zinc/00/95/58/556009558.db2.gz JZFVOJRTYONUAC-UHFFFAOYSA-N 1 1 485.588 2.786 50 0 JFAAMO C[C@@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012537218 556010367 /nfs/dbraw/zinc/01/03/67/556010367.db2.gz KGXWYDYHYQPYRF-HXUWFJFHSA-N 1 1 456.612 2.616 50 0 JFAAMO COc1cccc(C[N@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 ZINC000023144692 556022838 /nfs/dbraw/zinc/02/28/38/556022838.db2.gz PICJVTUUZAMOKG-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO COc1cccc(C[N@@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)c1 ZINC000023144692 556022842 /nfs/dbraw/zinc/02/28/42/556022842.db2.gz PICJVTUUZAMOKG-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1cscn1)CC[N@H+](Cc1ccccc1C)CC2 ZINC000023144910 556023180 /nfs/dbraw/zinc/02/31/80/556023180.db2.gz MPQJIGVSGDRXRH-UHFFFAOYSA-N 1 1 452.580 2.952 50 0 JFAAMO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCCC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000015868620 556045692 /nfs/dbraw/zinc/04/56/92/556045692.db2.gz OELPUZWMQTVDRW-GOSISDBHSA-N 1 1 456.587 2.503 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012567739 556067385 /nfs/dbraw/zinc/06/73/85/556067385.db2.gz PMAAPLYRLQPNGC-OAQYLSRUSA-N 1 1 461.584 2.566 50 0 JFAAMO Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023762586 556087894 /nfs/dbraw/zinc/08/78/94/556087894.db2.gz XABHYINUMTUCHL-UHFFFAOYSA-N 1 1 473.415 2.972 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000023763451 556087994 /nfs/dbraw/zinc/08/79/94/556087994.db2.gz HXXAMDXCAPZIQB-OUKQBFOZSA-N 1 1 488.632 2.741 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956632 556088409 /nfs/dbraw/zinc/08/84/09/556088409.db2.gz RPMGTRBJSCHNNU-KKSJDHSTSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000023818447 556089645 /nfs/dbraw/zinc/08/96/45/556089645.db2.gz FGFLENWWAYVZEO-HSZRJFAPSA-N 1 1 497.039 2.995 50 0 JFAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000023820231 556090344 /nfs/dbraw/zinc/09/03/44/556090344.db2.gz SLCPRLOPODMZDT-JOCHJYFZSA-N 1 1 467.566 2.914 50 0 JFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000023820231 556090348 /nfs/dbraw/zinc/09/03/48/556090348.db2.gz SLCPRLOPODMZDT-JOCHJYFZSA-N 1 1 467.566 2.914 50 0 JFAAMO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1=O ZINC000023866898 556095176 /nfs/dbraw/zinc/09/51/76/556095176.db2.gz XRYVWLMNKLLWFY-MHZLTWQESA-N 1 1 490.560 2.979 50 0 JFAAMO Cc1cccc(-n2nnnc2SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000023907855 556099702 /nfs/dbraw/zinc/09/97/02/556099702.db2.gz RUHYHKZCIJZJPS-UHFFFAOYSA-N 1 1 452.584 2.520 50 0 JFAAMO O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023955775 556103895 /nfs/dbraw/zinc/10/38/95/556103895.db2.gz ZLJCHEBPSOSBTA-UHFFFAOYSA-N 1 1 479.602 2.819 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016001020 556106024 /nfs/dbraw/zinc/10/60/24/556106024.db2.gz NPAYUIISMDEQGJ-HZNUMKHLSA-N 1 1 455.873 2.919 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016001020 556106026 /nfs/dbraw/zinc/10/60/26/556106026.db2.gz NPAYUIISMDEQGJ-HZNUMKHLSA-N 1 1 455.873 2.919 50 0 JFAAMO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000024611200 556140926 /nfs/dbraw/zinc/14/09/26/556140926.db2.gz NRYFFGQTSWPASK-UHFFFAOYSA-N 1 1 455.624 2.881 50 0 JFAAMO O=C(C[N@H+](Cc1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000025218622 556205458 /nfs/dbraw/zinc/20/54/58/556205458.db2.gz FRLDUUYIRWMHIW-UHFFFAOYSA-N 1 1 454.017 2.899 50 0 JFAAMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000025218622 556205461 /nfs/dbraw/zinc/20/54/61/556205461.db2.gz FRLDUUYIRWMHIW-UHFFFAOYSA-N 1 1 454.017 2.899 50 0 JFAAMO COc1cc(Br)c(CCNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000026247663 556251118 /nfs/dbraw/zinc/25/11/18/556251118.db2.gz JGFSXQHSHZJTBZ-UHFFFAOYSA-N 1 1 476.415 2.943 50 0 JFAAMO COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000019707772 556361514 /nfs/dbraw/zinc/36/15/14/556361514.db2.gz PYXKDDUPLVOXRU-XLNRJJMWSA-N 1 1 467.566 2.622 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000029992128 556362233 /nfs/dbraw/zinc/36/22/33/556362233.db2.gz WEULEYHUQGFRFP-UHFFFAOYSA-N 1 1 467.607 2.765 50 0 JFAAMO CCC(CC)[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[NH+]1CCOCC1 ZINC000030943943 556389205 /nfs/dbraw/zinc/38/92/05/556389205.db2.gz QEIYCEIKHYZWHJ-UXHICEINSA-N 1 1 471.689 2.710 50 0 JFAAMO CCN(CC)S(=O)(=O)N1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000032869682 556517576 /nfs/dbraw/zinc/51/75/76/556517576.db2.gz FXODXBVSWVZIRB-UHFFFAOYSA-N 1 1 466.677 2.613 50 0 JFAAMO COc1ccc(NC(=O)C[NH+]2CCC(n3nnc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 ZINC000008694526 569593164 /nfs/dbraw/zinc/59/31/64/569593164.db2.gz AFSREFVAQBEQHZ-UHFFFAOYSA-N 1 1 452.515 2.642 50 0 JFAAMO Cc1ccc(C)c(Cn2c(N3CC[NH+](Cc4ccc(F)cc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000056952685 569593397 /nfs/dbraw/zinc/59/33/97/569593397.db2.gz UTEMBKKSQUEUFM-UHFFFAOYSA-N 1 1 476.556 2.550 50 0 JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000057286404 569595704 /nfs/dbraw/zinc/59/57/04/569595704.db2.gz BFBRCHFJZPKGEB-SFHVURJKSA-N 1 1 498.070 2.916 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000057286404 569595705 /nfs/dbraw/zinc/59/57/05/569595705.db2.gz BFBRCHFJZPKGEB-SFHVURJKSA-N 1 1 498.070 2.916 50 0 JFAAMO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000008710965 569595882 /nfs/dbraw/zinc/59/58/82/569595882.db2.gz BDXUQXFYQHLMEB-NRFANRHFSA-N 1 1 470.639 2.932 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414723 569600117 /nfs/dbraw/zinc/60/01/17/569600117.db2.gz OLDRZHHWDXBFLW-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2OC)O3)CC1 ZINC000032983751 569607011 /nfs/dbraw/zinc/60/70/11/569607011.db2.gz JSPKHYVIGAHGDD-MOHJPFBDSA-N 1 1 464.566 2.825 50 0 JFAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 ZINC000060341427 569608838 /nfs/dbraw/zinc/60/88/38/569608838.db2.gz IIXCLHLTBOHKNI-QFIPXVFZSA-N 1 1 478.593 2.640 50 0 JFAAMO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000062580168 569611691 /nfs/dbraw/zinc/61/16/91/569611691.db2.gz IMDVKQBPKYJABY-NRFANRHFSA-N 1 1 466.504 2.812 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580418 569611757 /nfs/dbraw/zinc/61/17/57/569611757.db2.gz AKPZRJVBLJKEAG-RBUKOAKNSA-N 1 1 466.604 2.527 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580418 569611758 /nfs/dbraw/zinc/61/17/58/569611758.db2.gz AKPZRJVBLJKEAG-RBUKOAKNSA-N 1 1 466.604 2.527 50 0 JFAAMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC000062620891 569613367 /nfs/dbraw/zinc/61/33/67/569613367.db2.gz FXBFGMDKJBPEME-NDEPHWFRSA-N 1 1 491.636 2.805 50 0 JFAAMO COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4cccn4-c4ccccn4)CC3)c2C1=O ZINC000064031666 569616168 /nfs/dbraw/zinc/61/61/68/569616168.db2.gz QOUVFJPYZICKFO-UHFFFAOYSA-N 1 1 459.550 2.827 50 0 JFAAMO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)s2)cc1 ZINC000033024543 569620009 /nfs/dbraw/zinc/62/00/09/569620009.db2.gz YNPKSEXXOWNIES-SFHVURJKSA-N 1 1 498.653 2.942 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024599 569620055 /nfs/dbraw/zinc/62/00/55/569620055.db2.gz FIVRGBJQCIISBD-QGZVFWFLSA-N 1 1 484.626 2.633 50 0 JFAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776046 569627872 /nfs/dbraw/zinc/62/78/72/569627872.db2.gz YGURISROFRVFSX-IBGZPJMESA-N 1 1 490.583 2.917 50 0 JFAAMO COc1cccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064836030 569636785 /nfs/dbraw/zinc/63/67/85/569636785.db2.gz KRCRMNWISLQQFQ-UHFFFAOYSA-N 1 1 457.534 2.530 50 0 JFAAMO Cc1ccsc1CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064836172 569636815 /nfs/dbraw/zinc/63/68/15/569636815.db2.gz VTRSDXWGBTZEEP-UHFFFAOYSA-N 1 1 461.591 2.934 50 0 JFAAMO C[C@@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[N@H+]3CCc4ccccc4C3)s2)C1 ZINC000064836869 569636951 /nfs/dbraw/zinc/63/69/51/569636951.db2.gz NFMBJUJVGQIHSU-QGZVFWFLSA-N 1 1 466.611 2.566 50 0 JFAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)COC(C)C)CC3)n2)cc1Cl ZINC000034677554 569641870 /nfs/dbraw/zinc/64/18/70/569641870.db2.gz CGSZSYYRMNMVJN-SFHVURJKSA-N 1 1 450.967 2.792 50 0 JFAAMO Cn1cc(C[NH+]2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)c2ccccc21 ZINC000065330084 569674859 /nfs/dbraw/zinc/67/48/59/569674859.db2.gz MRKYCMBPLHKNBS-UHFFFAOYSA-N 1 1 452.942 2.902 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000035343777 569681431 /nfs/dbraw/zinc/68/14/31/569681431.db2.gz RTIMGHDUUSTMFA-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000035343777 569681432 /nfs/dbraw/zinc/68/14/32/569681432.db2.gz RTIMGHDUUSTMFA-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000035361681 569682278 /nfs/dbraw/zinc/68/22/78/569682278.db2.gz WYKFQCZJRGGJAJ-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000035361681 569682279 /nfs/dbraw/zinc/68/22/79/569682279.db2.gz WYKFQCZJRGGJAJ-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399155 569689734 /nfs/dbraw/zinc/68/97/34/569689734.db2.gz SUQSDAISQHJPPE-OAQYLSRUSA-N 1 1 490.670 2.521 50 0 JFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)c1 ZINC000069977715 569694496 /nfs/dbraw/zinc/69/44/96/569694496.db2.gz KBTCOUPOLBSNTP-FQEVSTJZSA-N 1 1 455.580 2.549 50 0 JFAAMO O=C(COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070012645 569694754 /nfs/dbraw/zinc/69/47/54/569694754.db2.gz ZHIYKNNZFWLMSH-JOCHJYFZSA-N 1 1 464.566 2.818 50 0 JFAAMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000077134233 569704939 /nfs/dbraw/zinc/70/49/39/569704939.db2.gz VPBKAOGLSGXXQT-UHFFFAOYSA-N 1 1 463.611 2.623 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C ZINC000085652053 569713885 /nfs/dbraw/zinc/71/38/85/569713885.db2.gz IKWKCRGYVKNJLU-IBGZPJMESA-N 1 1 471.583 2.575 50 0 JFAAMO COc1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000095241502 569722176 /nfs/dbraw/zinc/72/21/76/569722176.db2.gz VGTLVGOKNSTVHO-QFIPXVFZSA-N 1 1 456.974 2.782 50 0 JFAAMO O=C(NCCCN1CCOCC1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894137 569722849 /nfs/dbraw/zinc/72/28/49/569722849.db2.gz RMXIJQFKDLQBCY-RSXGOPAZSA-N 1 1 466.601 2.527 50 0 JFAAMO COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(C[N@@H+]3CCc4ccccc4C3)n2C)CC1 ZINC000095480190 569724581 /nfs/dbraw/zinc/72/45/81/569724581.db2.gz AGLXFNINIDOESB-UHFFFAOYSA-N 1 1 474.605 2.980 50 0 JFAAMO COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(C[N@H+]3CCc4ccccc4C3)n2C)CC1 ZINC000095480190 569724583 /nfs/dbraw/zinc/72/45/83/569724583.db2.gz AGLXFNINIDOESB-UHFFFAOYSA-N 1 1 474.605 2.980 50 0 JFAAMO O=c1cc(CN2CC[NH+](C3CCCCC3)CC2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000035926857 569730003 /nfs/dbraw/zinc/73/00/03/569730003.db2.gz RPDYZYJOWMPPRS-UHFFFAOYSA-N 1 1 450.631 2.542 50 0 JFAAMO O=S(=O)(c1ccc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cnc2c1)N1CCCCC1 ZINC000096919015 569743756 /nfs/dbraw/zinc/74/37/56/569743756.db2.gz LTYQFAFSXRBURG-UHFFFAOYSA-N 1 1 495.605 2.855 50 0 JFAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c(C(=O)N2CCOCC2)c1)C1CC1 ZINC000036027565 569750923 /nfs/dbraw/zinc/75/09/23/569750923.db2.gz LIKNNPYXTATKEL-UHFFFAOYSA-N 1 1 466.557 2.969 50 0 JFAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100064212 569752200 /nfs/dbraw/zinc/75/22/00/569752200.db2.gz KGLBLLLQWKVAOO-LJQANCHMSA-N 1 1 475.330 2.741 50 0 JFAAMO CCNC(=S)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C(C)C ZINC000036042892 569754177 /nfs/dbraw/zinc/75/41/77/569754177.db2.gz PCYOZJOLESNIJC-UHFFFAOYSA-N 1 1 469.652 2.835 50 0 JFAAMO NC(=O)C1(Nc2ccc(F)cc2)CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000100211151 569755459 /nfs/dbraw/zinc/75/54/59/569755459.db2.gz UNVAZFMNMVDZHR-IBGZPJMESA-N 1 1 458.921 2.539 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000036342376 569765806 /nfs/dbraw/zinc/76/58/06/569765806.db2.gz HFAGTRCOFJKPPV-QFIPXVFZSA-N 1 1 450.539 2.579 50 0 JFAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@H](c2ccccc2OC)C1 ZINC000036343007 569766163 /nfs/dbraw/zinc/76/61/63/569766163.db2.gz WEOQOMPUBXUFNN-NRFANRHFSA-N 1 1 450.539 2.579 50 0 JFAAMO CC[NH+]1CCN(C(=O)CCCN2C(=O)COc3ccc(C(=O)COc4ccccc4C)cc32)CC1 ZINC000037512923 569792477 /nfs/dbraw/zinc/79/24/77/569792477.db2.gz XWSUEZSJDGFYAR-UHFFFAOYSA-N 1 1 479.577 2.926 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccccc4C(C)C)cc32)CC1 ZINC000037519797 569792679 /nfs/dbraw/zinc/79/26/79/569792679.db2.gz JDNHCFYZBYUWKR-UHFFFAOYSA-N 1 1 479.577 2.961 50 0 JFAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000038545796 569802511 /nfs/dbraw/zinc/80/25/11/569802511.db2.gz PEAIBHREERHMLW-RUZDIDTESA-N 1 1 451.542 2.749 50 0 JFAAMO COCc1nc2ccccc2c(C)c1C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000039553358 569810198 /nfs/dbraw/zinc/81/01/98/569810198.db2.gz KGCSYIZRRATZAM-UHFFFAOYSA-N 1 1 469.582 2.998 50 0 JFAAMO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040073801 569815676 /nfs/dbraw/zinc/81/56/76/569815676.db2.gz ANBVBPRNEYAWBU-MUUNZHRXSA-N 1 1 490.604 2.914 50 0 JFAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102852290 569824557 /nfs/dbraw/zinc/82/45/57/569824557.db2.gz IMJXLOYUZZCQFL-OAQYLSRUSA-N 1 1 486.594 2.616 50 0 JFAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050274 569832324 /nfs/dbraw/zinc/83/23/24/569832324.db2.gz IUDTYFLTQYISDY-QFIPXVFZSA-N 1 1 470.595 2.997 50 0 JFAAMO CC(C)[N@@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000103869028 569838691 /nfs/dbraw/zinc/83/86/91/569838691.db2.gz JOZMPOMLHIMARO-NHCUHLMSSA-N 1 1 490.651 2.529 50 0 JFAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000104375490 569845499 /nfs/dbraw/zinc/84/54/99/569845499.db2.gz QPLUYVJIXHVKRS-ROUUACIJSA-N 1 1 469.028 2.997 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000104375490 569845500 /nfs/dbraw/zinc/84/55/00/569845500.db2.gz QPLUYVJIXHVKRS-ROUUACIJSA-N 1 1 469.028 2.997 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COC ZINC000105004342 569849629 /nfs/dbraw/zinc/84/96/29/569849629.db2.gz LGJTUMUMIQFOKK-SIKLNZKXSA-N 1 1 480.602 2.738 50 0 JFAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2[C@H](C)CCC[C@H]2C)cc1C ZINC000105852066 569853525 /nfs/dbraw/zinc/85/35/25/569853525.db2.gz MAMUURZQARGRPT-DHIUTWEWSA-N 1 1 478.703 2.687 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138052741 569865700 /nfs/dbraw/zinc/86/57/00/569865700.db2.gz INSOEGISNFOBEP-FROCWPDGSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138052741 569865701 /nfs/dbraw/zinc/86/57/01/569865701.db2.gz INSOEGISNFOBEP-FROCWPDGSA-N 1 1 465.893 2.542 50 0 JFAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000169679518 569869866 /nfs/dbraw/zinc/86/98/66/569869866.db2.gz SITHYZYGBPWPBT-GOTSBHOMSA-N 1 1 472.630 2.862 50 0 JFAAMO COC(=O)C[C@@H](c1ccsc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225415728 569995768 /nfs/dbraw/zinc/99/57/68/569995768.db2.gz QWDBKCCOHAZDKH-AYBZRNKSSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1ccsc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225415728 569995769 /nfs/dbraw/zinc/99/57/69/569995769.db2.gz QWDBKCCOHAZDKH-AYBZRNKSSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO O=C1COC2(C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H](NS(=O)(=O)C2CC2)c2ccccc2)CN1C1CC1 ZINC000240122482 570052984 /nfs/dbraw/zinc/05/29/84/570052984.db2.gz WAAGQORWWAYZDX-AFLFNGORSA-N 1 1 473.639 2.586 50 0 JFAAMO O=C(CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1)N[C@H]1CCCc2ccccc21 ZINC000242302257 570053654 /nfs/dbraw/zinc/05/36/54/570053654.db2.gz YQWCTGWPYPGQTJ-RZFJZAQRSA-N 1 1 488.632 2.812 50 0 JFAAMO O=C(CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000242302256 570053657 /nfs/dbraw/zinc/05/36/57/570053657.db2.gz YQWCTGWPYPGQTJ-RCXJIHSJSA-N 1 1 488.632 2.812 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000245224941 570054764 /nfs/dbraw/zinc/05/47/64/570054764.db2.gz IMGRHYGUGBKSGT-YYWHXJBOSA-N 1 1 460.600 2.644 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000245224939 570054820 /nfs/dbraw/zinc/05/48/20/570054820.db2.gz IMGRHYGUGBKSGT-JRGCBEDISA-N 1 1 460.600 2.644 50 0 JFAAMO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1 ZINC000245328664 570065951 /nfs/dbraw/zinc/06/59/51/570065951.db2.gz WCENQFFHLMJQPZ-XMSQKQJNSA-N 1 1 458.440 2.856 50 0 JFAAMO C[N@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@H]2C1 ZINC000245328664 570065953 /nfs/dbraw/zinc/06/59/53/570065953.db2.gz WCENQFFHLMJQPZ-XMSQKQJNSA-N 1 1 458.440 2.856 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000245343656 570067379 /nfs/dbraw/zinc/06/73/79/570067379.db2.gz VHWLCHCYPMWFEA-VAMGGRTRSA-N 1 1 464.657 2.751 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247835645 570069883 /nfs/dbraw/zinc/06/98/83/570069883.db2.gz NFPIGKHDJZHKST-JTFSCDOYSA-N 1 1 465.893 2.808 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000247835645 570069884 /nfs/dbraw/zinc/06/98/84/570069884.db2.gz NFPIGKHDJZHKST-JTFSCDOYSA-N 1 1 465.893 2.808 50 0 JFAAMO C[N@@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000248131683 570074941 /nfs/dbraw/zinc/07/49/41/570074941.db2.gz NLFBERLHILQLTK-GCJKJVERSA-N 1 1 458.440 2.651 50 0 JFAAMO C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000248131683 570074942 /nfs/dbraw/zinc/07/49/42/570074942.db2.gz NLFBERLHILQLTK-GCJKJVERSA-N 1 1 458.440 2.651 50 0 JFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000249702288 570079012 /nfs/dbraw/zinc/07/90/12/570079012.db2.gz ZAXCYTAEYWYOIT-MBOISDLSSA-N 1 1 493.585 2.997 50 0 JFAAMO COc1ccc([C@@H]2[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400508 570096507 /nfs/dbraw/zinc/09/65/07/570096507.db2.gz DYHKAMUZHQSJCV-GXJJEBCYSA-N 1 1 473.614 2.955 50 0 biogenic JFAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC2)c1OC ZINC000299794198 570177215 /nfs/dbraw/zinc/17/72/15/570177215.db2.gz IJFKMQQJIJKREZ-LJQANCHMSA-N 1 1 465.550 2.801 50 0 JFAAMO COC(=O)c1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)cc1 ZINC000299802854 570177626 /nfs/dbraw/zinc/17/76/26/570177626.db2.gz XCHDSLFVUJRRNC-FQEVSTJZSA-N 1 1 463.534 2.570 50 0 JFAAMO O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002966778 194184521 /nfs/dbraw/zinc/18/45/21/194184521.db2.gz ICRWAULAPUNUJD-OAQYLSRUSA-N 1 1 461.591 2.915 50 0 JFAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[NH+](C)C ZINC000003491246 194332847 /nfs/dbraw/zinc/33/28/47/194332847.db2.gz UPLLERMBTKPBRZ-NRFANRHFSA-N 1 1 457.552 2.799 50 0 JFAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)[NH+](C)C ZINC000003491248 194332930 /nfs/dbraw/zinc/33/29/30/194332930.db2.gz UPLLERMBTKPBRZ-OAQYLSRUSA-N 1 1 457.552 2.799 50 0 JFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000009875644 195008364 /nfs/dbraw/zinc/00/83/64/195008364.db2.gz CIIPEGBYLNPSAK-HXUWFJFHSA-N 1 1 486.638 2.767 50 0 JFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000009875644 195008367 /nfs/dbraw/zinc/00/83/67/195008367.db2.gz CIIPEGBYLNPSAK-HXUWFJFHSA-N 1 1 486.638 2.767 50 0 JFAAMO Cc1ccc(-n2c(SCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2N2CCOCC2)cc1 ZINC000012633870 195065648 /nfs/dbraw/zinc/06/56/48/195065648.db2.gz KGWDKTXHJXNONW-QFIPXVFZSA-N 1 1 492.649 2.895 50 0 JFAAMO COc1cc(CNCc2ccc(C)c(F)c2F)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012764274 195112807 /nfs/dbraw/zinc/11/28/07/195112807.db2.gz KFEQBNOQJRJXBJ-FQEVSTJZSA-N 1 1 450.526 2.768 50 0 JFAAMO COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012783256 195125759 /nfs/dbraw/zinc/12/57/59/195125759.db2.gz QYBSRSWONBXLFF-UHFFFAOYSA-N 1 1 455.374 2.768 50 0 JFAAMO COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)CC(=O)N21 ZINC000020610244 195183317 /nfs/dbraw/zinc/18/33/17/195183317.db2.gz FYZNTOAVNPXFCM-HOFKKMOUSA-N 1 1 488.588 2.584 50 0 biogenic JFAAMO 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/nfs/dbraw/zinc/45/91/10/555459110.db2.gz QZJJUYXFOCJRIT-UHFFFAOYSA-N 1 1 498.605 2.828 50 0 JFAAMO CCOC(=O)c1c(C)n(C[C@H](O)C[NH+]2CCOCC2)c2cc(Br)c(OC)cc21 ZINC000019858008 555519161 /nfs/dbraw/zinc/51/91/61/555519161.db2.gz YUSYRDPYBOFPQQ-CQSZACIVSA-N 1 1 455.349 2.591 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)[NH2+][C@@]12c1cccc(Cl)c1NC2=O ZINC000013592745 555527915 /nfs/dbraw/zinc/52/79/15/555527915.db2.gz JPCVPUJNDFUPRY-FTFVXWMISA-N 1 1 463.321 2.642 50 0 JFAAMO C[C@H]1C[N@H+](CCC(=O)NC[C@H](c2ccncc2)N2CCOCC2)Cc2cc(Cl)ccc2O1 ZINC000019885734 555528686 /nfs/dbraw/zinc/52/86/86/555528686.db2.gz UDIVZPWVFWBGOB-PGRDOPGGSA-N 1 1 458.990 2.898 50 0 JFAAMO C[C@H]1C[N@@H+](CCC(=O)NC[C@H](c2ccncc2)N2CCOCC2)Cc2cc(Cl)ccc2O1 ZINC000019885734 555528689 /nfs/dbraw/zinc/52/86/89/555528689.db2.gz UDIVZPWVFWBGOB-PGRDOPGGSA-N 1 1 458.990 2.898 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000019928850 555544816 /nfs/dbraw/zinc/54/48/16/555544816.db2.gz SGYPGBZIYFGLBG-UHFFFAOYSA-N 1 1 458.024 2.836 50 0 JFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)c(C)c2)cc1 ZINC000019943116 555561522 /nfs/dbraw/zinc/56/15/22/555561522.db2.gz SBYXUNAEXJMUKL-UHFFFAOYSA-N 1 1 459.612 2.646 50 0 JFAAMO Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1C ZINC000019991929 555576598 /nfs/dbraw/zinc/57/65/98/555576598.db2.gz ZZDGHEXPLKLZLY-AREMUKBSSA-N 1 1 460.578 2.870 50 0 JFAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)c2C(N)=O)C1 ZINC000010186775 555640369 /nfs/dbraw/zinc/64/03/69/555640369.db2.gz NQBYWCKFVRJLHP-UHFFFAOYSA-N 1 1 496.680 2.716 50 0 JFAAMO CCC[N@H+]1CCc2c(sc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)c2C(N)=O)C1 ZINC000010186775 555640372 /nfs/dbraw/zinc/64/03/72/555640372.db2.gz NQBYWCKFVRJLHP-UHFFFAOYSA-N 1 1 496.680 2.716 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)CC1 ZINC000020108845 555644070 /nfs/dbraw/zinc/64/40/70/555644070.db2.gz UBTJKYGRVODZEU-CLJLJLNGSA-N 1 1 496.627 2.897 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114292 555652146 /nfs/dbraw/zinc/65/21/46/555652146.db2.gz RRMDOQYJSUVKBK-LOSJGSFVSA-N 1 1 498.599 2.507 50 0 JFAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116799 555654222 /nfs/dbraw/zinc/65/42/22/555654222.db2.gz NNQAZCLHPAGSRT-BWKNWUBXSA-N 1 1 497.592 2.979 50 0 JFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccc(Br)cc2)cc1 ZINC000020149111 555664667 /nfs/dbraw/zinc/66/46/67/555664667.db2.gz SKVWKZRDNABNJS-UHFFFAOYSA-N 1 1 480.428 2.722 50 0 JFAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000014093322 555685772 /nfs/dbraw/zinc/68/57/72/555685772.db2.gz HIYNDROYEUHNPI-KCWPFWIISA-N 1 1 456.546 2.998 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)CC1 ZINC000020531945 555799764 /nfs/dbraw/zinc/79/97/64/555799764.db2.gz OQJJKLYMCUIYOO-GOSISDBHSA-N 1 1 454.600 2.847 50 0 JFAAMO CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n(C)n1 ZINC000020541781 555806213 /nfs/dbraw/zinc/80/62/13/555806213.db2.gz LGKHPEWTFUPWEP-QFIPXVFZSA-N 1 1 451.615 2.959 50 0 JFAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000011726316 555806257 /nfs/dbraw/zinc/80/62/57/555806257.db2.gz JZKWYPSXWNYZNP-OAHLLOKOSA-N 1 1 490.651 2.898 50 0 JFAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000011726316 555806261 /nfs/dbraw/zinc/80/62/61/555806261.db2.gz JZKWYPSXWNYZNP-OAHLLOKOSA-N 1 1 490.651 2.898 50 0 JFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c(OC)c1 ZINC000011786944 555820618 /nfs/dbraw/zinc/82/06/18/555820618.db2.gz YUIGPZOASSVWMM-UHFFFAOYSA-N 1 1 469.542 2.502 50 0 JFAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c(OC)c1 ZINC000011786944 555820622 /nfs/dbraw/zinc/82/06/22/555820622.db2.gz YUIGPZOASSVWMM-UHFFFAOYSA-N 1 1 469.542 2.502 50 0 JFAAMO CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CC[N@H+](Cc1cccc(OCCO)c1)C2 ZINC000014536290 555825443 /nfs/dbraw/zinc/82/54/43/555825443.db2.gz OOVGQYMXTOZJCP-UHFFFAOYSA-N 1 1 489.620 2.795 50 0 JFAAMO CCn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1CC[N@@H+](Cc1cccc(OCCO)c1)C2 ZINC000014536290 555825444 /nfs/dbraw/zinc/82/54/44/555825444.db2.gz OOVGQYMXTOZJCP-UHFFFAOYSA-N 1 1 489.620 2.795 50 0 JFAAMO Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCC[NH+](C)C)C(=O)N2CCc1ccccc1 ZINC000014537969 555827707 /nfs/dbraw/zinc/82/77/07/555827707.db2.gz ZIFCSUKLGQQYPW-UHFFFAOYSA-N 1 1 466.630 2.522 50 0 JFAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000015001643 555846569 /nfs/dbraw/zinc/84/65/69/555846569.db2.gz RPLXEMKGRISWLO-ATIYNZHBSA-N 1 1 466.557 2.606 50 0 JFAAMO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]2CCCC[C@@H]12 ZINC000015080169 555872152 /nfs/dbraw/zinc/87/21/52/555872152.db2.gz DFHQULLQMGVPFE-BMGDILEWSA-N 1 1 457.040 2.649 50 0 JFAAMO C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011973930 555874910 /nfs/dbraw/zinc/87/49/10/555874910.db2.gz SKSFETBFEHHLPF-AWEZNQCLSA-N 1 1 455.465 2.834 50 0 JFAAMO O=C(CSc1nc(CN2CCOCC2)nc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022188419 555883133 /nfs/dbraw/zinc/88/31/33/555883133.db2.gz NQYFSFIGWAFNJO-UHFFFAOYSA-N 1 1 499.681 2.705 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c2ccccc12 ZINC000012029052 555886234 /nfs/dbraw/zinc/88/62/34/555886234.db2.gz PODXVBUZPVYOAW-QFIPXVFZSA-N 1 1 457.600 2.745 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC ZINC000012041281 555893792 /nfs/dbraw/zinc/89/37/92/555893792.db2.gz YSLZGMDWCZQRDM-GOSISDBHSA-N 1 1 495.580 2.618 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC ZINC000012041281 555893794 /nfs/dbraw/zinc/89/37/94/555893794.db2.gz YSLZGMDWCZQRDM-GOSISDBHSA-N 1 1 495.580 2.618 50 0 JFAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccco1 ZINC000022381478 555927848 /nfs/dbraw/zinc/92/78/48/555927848.db2.gz XZUGNXDEQGSATN-IBGZPJMESA-N 1 1 471.535 2.520 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022756235 555954397 /nfs/dbraw/zinc/95/43/97/555954397.db2.gz NLSUFELPUVVRBZ-UHFFFAOYSA-N 1 1 471.623 2.932 50 0 JFAAMO CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1 ZINC000022909244 555967199 /nfs/dbraw/zinc/96/71/99/555967199.db2.gz AJOZVEXGMGJLFH-UHFFFAOYSA-N 1 1 484.622 2.778 50 0 JFAAMO O=C1CCSc2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2N1 ZINC000015731050 555973538 /nfs/dbraw/zinc/97/35/38/555973538.db2.gz JJMUJRDOUZCCSG-UHFFFAOYSA-N 1 1 460.625 2.612 50 0 JFAAMO C[C@@H]1CSc2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2NC1=O ZINC000015731170 555973960 /nfs/dbraw/zinc/97/39/60/555973960.db2.gz FJGCYSHSCCLVOM-GOSISDBHSA-N 1 1 474.652 2.858 50 0 JFAAMO O=C(C1CCN(c2nnc(N3CCCCC3=O)s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015777451 555996897 /nfs/dbraw/zinc/99/68/97/555996897.db2.gz HLQUGELTVXCIPW-UHFFFAOYSA-N 1 1 468.627 2.616 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)N1CCCc2ccccc21 ZINC000015882735 556057588 /nfs/dbraw/zinc/05/75/88/556057588.db2.gz HNUBALHZUNEFCT-UHFFFAOYSA-N 1 1 468.623 2.526 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000015890402 556061130 /nfs/dbraw/zinc/06/11/30/556061130.db2.gz AQEKSTLGBKNJNN-CIAFKFPVSA-N 1 1 456.697 2.692 50 0 JFAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015955075 556088071 /nfs/dbraw/zinc/08/80/71/556088071.db2.gz XOMAFEXJRPUOSK-PNOLHXSVSA-N 1 1 459.502 2.506 50 0 biogenic JFAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015956986 556088798 /nfs/dbraw/zinc/08/87/98/556088798.db2.gz VQSBJPXPDCLPTR-UNKHORCTSA-N 1 1 465.893 2.808 50 0 biogenic JFAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015956986 556088801 /nfs/dbraw/zinc/08/88/01/556088801.db2.gz VQSBJPXPDCLPTR-UNKHORCTSA-N 1 1 465.893 2.808 50 0 biogenic JFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000023820226 556090489 /nfs/dbraw/zinc/09/04/89/556090489.db2.gz SLCPRLOPODMZDT-QFIPXVFZSA-N 1 1 467.566 2.914 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000023820226 556090491 /nfs/dbraw/zinc/09/04/91/556090491.db2.gz SLCPRLOPODMZDT-QFIPXVFZSA-N 1 1 467.566 2.914 50 0 JFAAMO O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)NCCC[NH+]1CCOCC1 ZINC000015961361 556092829 /nfs/dbraw/zinc/09/28/29/556092829.db2.gz SEYPOXIEMGWCLY-UHFFFAOYSA-N 1 1 450.624 2.673 50 0 JFAAMO Cc1ccc(-n2nnnc2SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000023907720 556099662 /nfs/dbraw/zinc/09/96/62/556099662.db2.gz RUIGXAWWVDCBOL-UHFFFAOYSA-N 1 1 452.584 2.520 50 0 JFAAMO COc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012916500 556135531 /nfs/dbraw/zinc/13/55/31/556135531.db2.gz KAHWKMXFGVDRCE-UHFFFAOYSA-N 1 1 452.477 2.946 50 0 JFAAMO COc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000012916500 556135532 /nfs/dbraw/zinc/13/55/32/556135532.db2.gz KAHWKMXFGVDRCE-UHFFFAOYSA-N 1 1 452.477 2.946 50 0 JFAAMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)cc1 ZINC000012922200 556140847 /nfs/dbraw/zinc/14/08/47/556140847.db2.gz IIRONHCJYFPLNE-UHFFFAOYSA-N 1 1 493.670 2.637 50 0 JFAAMO O=C(CCCCCNC1=NS(=O)(=O)c2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012926654 556144871 /nfs/dbraw/zinc/14/48/71/556144871.db2.gz DCWNRFZEUZCRDO-UHFFFAOYSA-N 1 1 454.596 2.630 50 0 JFAAMO C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012973847 556165541 /nfs/dbraw/zinc/16/55/41/556165541.db2.gz LXAJLACFWJZWFT-NRFANRHFSA-N 1 1 499.633 2.751 50 0 JFAAMO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000025150308 556190935 /nfs/dbraw/zinc/19/09/35/556190935.db2.gz UYSOQBGUHCTSSD-UHFFFAOYSA-N 1 1 474.521 2.859 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000017288391 556251298 /nfs/dbraw/zinc/25/12/98/556251298.db2.gz MUHYRCRJJKRBGD-IBGZPJMESA-N 1 1 485.585 2.683 50 0 JFAAMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013075226 556276430 /nfs/dbraw/zinc/27/64/30/556276430.db2.gz KYELEWHWPMMJAA-IBGZPJMESA-N 1 1 475.611 2.874 50 0 JFAAMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013075226 556276433 /nfs/dbraw/zinc/27/64/33/556276433.db2.gz KYELEWHWPMMJAA-IBGZPJMESA-N 1 1 475.611 2.874 50 0 JFAAMO COC(=O)c1c(OC(C)C)cc(=O)n2c1CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)CC2 ZINC000019743037 556364930 /nfs/dbraw/zinc/36/49/30/556364930.db2.gz DLGIWHVPLYLWDF-UHFFFAOYSA-N 1 1 466.538 2.879 50 0 JFAAMO COC(=O)c1c(OC(C)C)cc(=O)n2c1CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)CC2 ZINC000019743037 556364935 /nfs/dbraw/zinc/36/49/35/556364935.db2.gz DLGIWHVPLYLWDF-UHFFFAOYSA-N 1 1 466.538 2.879 50 0 JFAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCC[NH+]4CCOCC4)cc3n2)cc1 ZINC000019774208 556369227 /nfs/dbraw/zinc/36/92/27/556369227.db2.gz RFRWGKAGGVMJHC-UHFFFAOYSA-N 1 1 463.460 2.876 50 0 JFAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019810595 556381344 /nfs/dbraw/zinc/38/13/44/556381344.db2.gz XGAZOAZDXPKXBR-UHFFFAOYSA-N 1 1 451.976 2.708 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000032724999 556476559 /nfs/dbraw/zinc/47/65/59/556476559.db2.gz IMPZWGPIQRWQAG-QFIPXVFZSA-N 1 1 486.682 2.977 50 0 JFAAMO CN1CCN(C(=O)C2CC[NH+](CC(=O)N3CCc4sccc4[C@H]3c3cccs3)CC2)CC1 ZINC000032928700 556545719 /nfs/dbraw/zinc/54/57/19/556545719.db2.gz WSCCAEIVYRCARA-QHCPKHFHSA-N 1 1 472.680 2.770 50 0 JFAAMO COc1ccc(Cc2nnc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)o2)cc1OC ZINC000008588364 562941415 /nfs/dbraw/zinc/94/14/15/562941415.db2.gz CMFLOAMBYNBZQY-UHFFFAOYSA-N 1 1 483.544 2.759 50 0 JFAAMO COc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000008693994 562954544 /nfs/dbraw/zinc/95/45/44/562954544.db2.gz ZWSNXFBXTFSDMC-UHFFFAOYSA-N 1 1 487.622 2.609 50 0 JFAAMO CN(CC[NH+](C)C)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc21 ZINC000053312850 563205801 /nfs/dbraw/zinc/20/58/01/563205801.db2.gz FWGIYGKLYGIQNP-UHFFFAOYSA-N 1 1 450.977 2.823 50 0 JFAAMO COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)C[N@@H+](Cc1cccc(OCCO)c1)CCO2 ZINC000055281816 569591370 /nfs/dbraw/zinc/59/13/70/569591370.db2.gz STRLQTFYFPKVMC-XMMPIXPASA-N 1 1 454.567 2.980 50 0 JFAAMO COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCCO)c1)CCO2 ZINC000055281816 569591371 /nfs/dbraw/zinc/59/13/71/569591371.db2.gz STRLQTFYFPKVMC-XMMPIXPASA-N 1 1 454.567 2.980 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1 ZINC000032995231 569610146 /nfs/dbraw/zinc/61/01/46/569610146.db2.gz CYVGQMNAYOYDLP-UHFFFAOYSA-N 1 1 479.050 2.910 50 0 JFAAMO Cn1nc(C(=O)N2CCOCC2)c2c1CC[N@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000064565652 569619215 /nfs/dbraw/zinc/61/92/15/569619215.db2.gz UWTDTWUXASOGAS-UHFFFAOYSA-N 1 1 459.550 2.703 50 0 JFAAMO Cn1nc(C(=O)N2CCOCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)Nc3ccccc3)cc1)C2 ZINC000064565652 569619216 /nfs/dbraw/zinc/61/92/16/569619216.db2.gz UWTDTWUXASOGAS-UHFFFAOYSA-N 1 1 459.550 2.703 50 0 JFAAMO C[C@H]1CCCN(c2nn3c(nc(=O)cc3C(=O)NCCC[N@H+]3CCc4ccccc4C3)s2)C1 ZINC000064836872 569636983 /nfs/dbraw/zinc/63/69/83/569636983.db2.gz NFMBJUJVGQIHSU-KRWDZBQOSA-N 1 1 466.611 2.566 50 0 JFAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000064873112 569640736 /nfs/dbraw/zinc/64/07/36/569640736.db2.gz LETIEAJHHOPIFU-UHFFFAOYSA-N 1 1 498.075 2.885 50 0 JFAAMO Cc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1 ZINC000034692136 569646347 /nfs/dbraw/zinc/64/63/47/569646347.db2.gz COHPDPPIGSXIRC-DEOSSOPVSA-N 1 1 450.583 2.754 50 0 JFAAMO Cc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1 ZINC000034692136 569646348 /nfs/dbraw/zinc/64/63/48/569646348.db2.gz COHPDPPIGSXIRC-DEOSSOPVSA-N 1 1 450.583 2.754 50 0 JFAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)c1 ZINC000034692139 569646388 /nfs/dbraw/zinc/64/63/88/569646388.db2.gz JQIBYYOEJQPZIZ-HSZRJFAPSA-N 1 1 452.555 2.776 50 0 JFAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)c1 ZINC000034692139 569646389 /nfs/dbraw/zinc/64/63/89/569646389.db2.gz JQIBYYOEJQPZIZ-HSZRJFAPSA-N 1 1 452.555 2.776 50 0 JFAAMO CCCN(CCC)C(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025326 569650702 /nfs/dbraw/zinc/65/07/02/569650702.db2.gz PSNIGCQIIXUTLV-UHFFFAOYSA-N 1 1 475.615 2.563 50 0 JFAAMO C[NH+]1CCN(C(=O)c2nnc(N3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)CC1 ZINC000034838732 569666797 /nfs/dbraw/zinc/66/67/97/569666797.db2.gz LXSDDNSYHMGQRP-UHFFFAOYSA-N 1 1 450.974 2.997 50 0 JFAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319171 569673916 /nfs/dbraw/zinc/67/39/16/569673916.db2.gz DOJAFWIPAAKSEL-UHFFFAOYSA-N 1 1 495.605 2.699 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000065319171 569673918 /nfs/dbraw/zinc/67/39/18/569673918.db2.gz DOJAFWIPAAKSEL-UHFFFAOYSA-N 1 1 495.605 2.699 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)c3s2)CC1 ZINC000067225985 569681064 /nfs/dbraw/zinc/68/10/64/569681064.db2.gz QEYOLASPJYOMFB-UHFFFAOYSA-N 1 1 466.489 2.652 50 0 JFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000067621052 569688799 /nfs/dbraw/zinc/68/87/99/569688799.db2.gz GZPPKENICLCKGK-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000068787636 569692186 /nfs/dbraw/zinc/69/21/86/569692186.db2.gz MKJDUPOXHMLGRV-HSZRJFAPSA-N 1 1 486.638 2.561 50 0 JFAAMO COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000035686258 569706898 /nfs/dbraw/zinc/70/68/98/569706898.db2.gz QZRKCVPLJHJRGJ-QGZVFWFLSA-N 1 1 450.539 2.648 50 0 JFAAMO C=CCN1C2=C(C(=O)N(CCC[NH+]3CCOCC3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000035834587 569713245 /nfs/dbraw/zinc/71/32/45/569713245.db2.gz ABXLHDIHYRFSBB-HXUWFJFHSA-N 1 1 464.488 2.776 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@@H]1[C@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000035911097 569726428 /nfs/dbraw/zinc/72/64/28/569726428.db2.gz RYUOHRPYIOIKQK-HYBUGGRVSA-N 1 1 455.002 2.990 50 0 JFAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3OC)CC2)n1 ZINC000035926522 569729865 /nfs/dbraw/zinc/72/98/65/569729865.db2.gz KNHXVVBBVNDBIJ-UHFFFAOYSA-N 1 1 461.566 2.763 50 0 JFAAMO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCN3CCOCC3)CC1)nc2-c1ccccc1 ZINC000035929440 569731438 /nfs/dbraw/zinc/73/14/38/569731438.db2.gz VVSLLLYDRXNTBJ-UHFFFAOYSA-N 1 1 498.635 2.578 50 0 JFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000035991353 569744346 /nfs/dbraw/zinc/74/43/46/569744346.db2.gz KOAPRDNSIGUQEG-PGRDOPGGSA-N 1 1 473.570 2.874 50 0 JFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000035991353 569744347 /nfs/dbraw/zinc/74/43/47/569744347.db2.gz KOAPRDNSIGUQEG-PGRDOPGGSA-N 1 1 473.570 2.874 50 0 JFAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035999473 569745435 /nfs/dbraw/zinc/74/54/35/569745435.db2.gz HVRCDWHLAUUYDD-FQEVSTJZSA-N 1 1 452.942 2.624 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000036014769 569748911 /nfs/dbraw/zinc/74/89/11/569748911.db2.gz YAZHHGJQRCLOCM-FQEVSTJZSA-N 1 1 456.543 2.518 50 0 JFAAMO COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CC[NH+](C)CC3)CC(C)C)no2)c1 ZINC000036015366 569749119 /nfs/dbraw/zinc/74/91/19/569749119.db2.gz KFOMGTJCRORZFO-UHFFFAOYSA-N 1 1 458.559 2.621 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H](NC(=O)c2cc(-c3cc(OC)ccc3OC)on2)c2ccccc2)CC1 ZINC000036016155 569749213 /nfs/dbraw/zinc/74/92/13/569749213.db2.gz GKGOKJVDBFUCIY-XMMPIXPASA-N 1 1 478.549 2.994 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000036342298 569765675 /nfs/dbraw/zinc/76/56/75/569765675.db2.gz RQKOZSVBPRAWDP-QHCPKHFHSA-N 1 1 450.539 2.579 50 0 JFAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CC[NH+](CCOCCO)CC5)C4=O)cc3)sc2c1 ZINC000100641070 569765943 /nfs/dbraw/zinc/76/59/43/569765943.db2.gz MTTFFBLRIOWUGE-QFIPXVFZSA-N 1 1 494.617 2.530 50 0 JFAAMO Nc1c2c(nn1-c1ccccc1)nc(N1CC[NH+](CCN3CCOCC3)CC1)nc2-c1cccs1 ZINC000037359304 569783863 /nfs/dbraw/zinc/78/38/63/569783863.db2.gz CXUDPXQDJKMMER-UHFFFAOYSA-N 1 1 490.637 2.580 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4c(C)cc(C)cc4C)cc32)CC1 ZINC000037512439 569792189 /nfs/dbraw/zinc/79/21/89/569792189.db2.gz XRFDYUTXKVPEDP-UHFFFAOYSA-N 1 1 479.577 2.763 50 0 JFAAMO CCOc1ccc2nc(Nc3nc(-c4cnc(N5CC[NH+](C)CC5)nc4C)cc(=O)[nH]3)nc(C)c2c1 ZINC000039404007 569809742 /nfs/dbraw/zinc/80/97/42/569809742.db2.gz HCMAUXSJEXUGJY-UHFFFAOYSA-N 1 1 487.568 2.681 50 0 JFAAMO CCOC(=O)c1sc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(=O)OCC)c1C ZINC000040070020 569815473 /nfs/dbraw/zinc/81/54/73/569815473.db2.gz SRKNAILPEGRIKM-HNNXBMFYSA-N 1 1 453.561 2.738 50 0 JFAAMO O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000040150151 569819456 /nfs/dbraw/zinc/81/94/56/569819456.db2.gz UMGLREFEHRQFMJ-DEOSSOPVSA-N 1 1 453.608 2.889 50 0 JFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)N3CCC(C[N@H+](C)C(C)C)CC3)CC2)cc1 ZINC000040157216 569821422 /nfs/dbraw/zinc/82/14/22/569821422.db2.gz ADQQPPZEMGIERM-UHFFFAOYSA-N 1 1 493.674 2.560 50 0 JFAAMO COCc1nn2c(ncc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040397218 569825824 /nfs/dbraw/zinc/82/58/24/569825824.db2.gz MPTAFRPORURBDI-UHFFFAOYSA-N 1 1 451.502 2.719 50 0 JFAAMO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000103001203 569831473 /nfs/dbraw/zinc/83/14/73/569831473.db2.gz MFOMDGQAIVKJQL-PZJWPPBQSA-N 1 1 450.568 2.906 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000104910586 569846785 /nfs/dbraw/zinc/84/67/85/569846785.db2.gz KBMFWHVXHYDCLZ-GDNALLQQSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000104910586 569846787 /nfs/dbraw/zinc/84/67/87/569846787.db2.gz KBMFWHVXHYDCLZ-GDNALLQQSA-N 1 1 495.963 2.827 50 0 JFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049604894 569849753 /nfs/dbraw/zinc/84/97/53/569849753.db2.gz DGKDQOQAAZSQNT-RQXXJAGISA-N 1 1 452.308 2.880 50 0 biogenic JFAAMO COC(=O)C[C@@H](CC(C)C)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225419804 569995918 /nfs/dbraw/zinc/99/59/18/569995918.db2.gz NLHOWUGICGLMIB-KURKYZTESA-N 1 1 456.539 2.819 50 0 biogenic JFAAMO COC(=O)C[C@@H](CC(C)C)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225419804 569995919 /nfs/dbraw/zinc/99/59/19/569995919.db2.gz NLHOWUGICGLMIB-KURKYZTESA-N 1 1 456.539 2.819 50 0 biogenic JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245325520 570064276 /nfs/dbraw/zinc/06/42/76/570064276.db2.gz FMGVVSBXTFKUNG-IPRDPGLQSA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cccc5Cl)[C@H]3C2=O)cc1 ZINC000245325520 570064277 /nfs/dbraw/zinc/06/42/77/570064277.db2.gz FMGVVSBXTFKUNG-IPRDPGLQSA-N 1 1 465.893 2.697 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245327703 570065292 /nfs/dbraw/zinc/06/52/92/570065292.db2.gz PQBZPXSNEYDBOO-IZYLUQCASA-N 1 1 474.344 2.603 50 0 JFAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000245330602 570066846 /nfs/dbraw/zinc/06/68/46/570066846.db2.gz ZBQGPWRJNGYNBJ-FCHUYYIVSA-N 1 1 459.587 2.945 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247893510 570070752 /nfs/dbraw/zinc/07/07/52/570070752.db2.gz NPAYUIISMDEQGJ-LEWJJULVSA-N 1 1 455.873 2.919 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247893510 570070753 /nfs/dbraw/zinc/07/07/53/570070753.db2.gz NPAYUIISMDEQGJ-LEWJJULVSA-N 1 1 455.873 2.919 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000248206661 570076222 /nfs/dbraw/zinc/07/62/22/570076222.db2.gz BFNZVVRVIRCIOX-RSNROMBLSA-N 1 1 453.926 2.593 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5cccc(CC)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248266202 570077266 /nfs/dbraw/zinc/07/72/66/570077266.db2.gz DWZCDFFQIFCPHF-ZAACQVCWSA-N 1 1 473.529 2.857 50 0 JFAAMO COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1=O ZINC000252572227 570083454 /nfs/dbraw/zinc/08/34/54/570083454.db2.gz YZUWTDHXIVMNAW-ACRUOGEOSA-N 1 1 456.587 2.523 50 0 JFAAMO COc1ccc([C@H]2[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397633 570096101 /nfs/dbraw/zinc/09/61/01/570096101.db2.gz BOIAYPLNLVSAMI-VGYLUTEMSA-N 1 1 459.587 2.613 50 0 biogenic JFAAMO O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000253535683 570103549 /nfs/dbraw/zinc/10/35/49/570103549.db2.gz AZLAMAJGRJSGCD-OIBXWCBGSA-N 1 1 465.598 2.996 50 0 JFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000263585181 570170937 /nfs/dbraw/zinc/17/09/37/570170937.db2.gz GAPGMZFVKJTQGF-JAXLGGSGSA-N 1 1 471.598 2.550 50 0 biogenic JFAAMO Cc1ccccc1[C@]1(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC(=O)N(Cc2cccnc2)C1=O ZINC000299770482 570175623 /nfs/dbraw/zinc/17/56/23/570175623.db2.gz VYCQYFZWLNXPJS-KCWPFWIISA-N 1 1 462.594 2.776 50 0 JFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003235503 194247093 /nfs/dbraw/zinc/24/70/93/194247093.db2.gz XWCIQMFTPBSYFN-ADSWJOHSSA-N 1 1 481.618 2.864 50 0 JFAAMO Cn1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000009405583 194745005 /nfs/dbraw/zinc/74/50/05/194745005.db2.gz PHLWTTWRECSJTH-UHFFFAOYSA-N 1 1 450.564 2.769 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000009882879 195010873 /nfs/dbraw/zinc/01/08/73/195010873.db2.gz MCHSKKCSKQBUPH-UHFFFAOYSA-N 1 1 494.617 2.865 50 0 JFAAMO O=C(C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012812082 195144740 /nfs/dbraw/zinc/14/47/40/195144740.db2.gz WRVGNVUMIDRLEE-RUZDIDTESA-N 1 1 481.662 2.819 50 0 JFAAMO CCOc1cc2[nH]c(=O)n(CCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OCC ZINC000020616834 195188639 /nfs/dbraw/zinc/18/86/39/195188639.db2.gz HWYDVLZFDANMAS-UHFFFAOYSA-N 1 1 494.592 2.612 50 0 JFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C)[NH2+][C@@]4(c5ccccc5N(CC(=O)Nc5ccccc5)C4=O)[C@H]3C2=O)cc1 ZINC000020807603 195228718 /nfs/dbraw/zinc/22/87/18/195228718.db2.gz ZOABRWTVQIWRCJ-BHEUPXRBSA-N 1 1 494.551 2.973 50 0 JFAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000021005141 195265704 /nfs/dbraw/zinc/26/57/04/195265704.db2.gz QMAZWTLYQURWOD-MHZLTWQESA-N 1 1 456.546 2.951 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004369 195265738 /nfs/dbraw/zinc/26/57/38/195265738.db2.gz VQFZVUDNGUOEBQ-UHFFFAOYSA-N 1 1 482.606 2.894 50 0 JFAAMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000021005143 195265748 /nfs/dbraw/zinc/26/57/48/195265748.db2.gz QMAZWTLYQURWOD-HHHXNRCGSA-N 1 1 456.546 2.951 50 0 JFAAMO Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](Cc5ccccc5)CC4)CC3)ccc21 ZINC000021156317 195284958 /nfs/dbraw/zinc/28/49/58/195284958.db2.gz RUQSJQHHOYNTEK-UHFFFAOYSA-N 1 1 480.634 2.923 50 0 JFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000021526701 195305202 /nfs/dbraw/zinc/30/52/02/195305202.db2.gz JSMQJTXUXSBYKY-STQMWFEESA-N 1 1 456.513 2.697 50 0 JFAAMO Cc1cccc(-n2c(=O)c3sccc3n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2=O)c1 ZINC000057490205 195346713 /nfs/dbraw/zinc/34/67/13/195346713.db2.gz FIBSOYGFGCEXPP-UHFFFAOYSA-N 1 1 474.586 2.867 50 0 JFAAMO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000058434465 195379211 /nfs/dbraw/zinc/37/92/11/195379211.db2.gz WJWYANTZGJQJFL-MRXNPFEDSA-N 1 1 456.509 2.719 50 0 JFAAMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000058434465 195379214 /nfs/dbraw/zinc/37/92/14/195379214.db2.gz WJWYANTZGJQJFL-MRXNPFEDSA-N 1 1 456.509 2.719 50 0 JFAAMO Cc1ccc(C)c(N2N=C(C(=O)N3CC[NH+](CCCOCC(F)(F)F)CC3)CCC2=O)c1 ZINC000060100844 195414397 /nfs/dbraw/zinc/41/43/97/195414397.db2.gz IIFBVZVUMBWPPO-UHFFFAOYSA-N 1 1 454.493 2.899 50 0 JFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C)[NH2+][C@]4(c5ccccc5N(CC(=O)Nc5ccccc5)C4=O)[C@H]3C2=O)cc1 ZINC000103560285 130644032 /nfs/dbraw/zinc/64/40/32/130644032.db2.gz ZOABRWTVQIWRCJ-UGQOYBTKSA-N 1 1 494.551 2.973 50 0 JFAAMO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014995658 519393596 /nfs/dbraw/zinc/39/35/96/519393596.db2.gz FHCYEOJIXKUSCB-QHCPKHFHSA-N 1 1 478.597 2.620 50 0 JFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033254655 519730067 /nfs/dbraw/zinc/73/00/67/519730067.db2.gz NSLJFPPPJTWOFP-IBGZPJMESA-N 1 1 478.659 2.674 50 0 JFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033254654 519730078 /nfs/dbraw/zinc/73/00/78/519730078.db2.gz NSLJFPPPJTWOFP-LJQANCHMSA-N 1 1 478.659 2.674 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033373 519838789 /nfs/dbraw/zinc/83/87/89/519838789.db2.gz WAPOUYBKYKNLES-UHFFFAOYSA-N 1 1 499.681 2.798 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033373 519838790 /nfs/dbraw/zinc/83/87/90/519838790.db2.gz WAPOUYBKYKNLES-UHFFFAOYSA-N 1 1 499.681 2.798 50 0 JFAAMO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262804 520138311 /nfs/dbraw/zinc/13/83/11/520138311.db2.gz ZVMFDJFTJUKNBR-LJQANCHMSA-N 1 1 490.674 2.794 50 0 JFAAMO CC1(C)CC(=O)c2cnc3c(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cnn3c2C1 ZINC000064987477 520278483 /nfs/dbraw/zinc/27/84/83/520278483.db2.gz BTYIGAOKLFOBCZ-UHFFFAOYSA-N 1 1 478.572 2.966 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)ccc1OC ZINC000020451156 520701023 /nfs/dbraw/zinc/70/10/23/520701023.db2.gz OARSTXJIBRAKBV-UHFFFAOYSA-N 1 1 471.508 2.952 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000023730935 520796219 /nfs/dbraw/zinc/79/62/19/520796219.db2.gz NURXXVGPPUGPIA-UHFFFAOYSA-N 1 1 455.596 2.621 50 0 JFAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(C(C)C)C[C@H](OCc3cc(OC)cc(OC)c3)C2)CC1 ZINC000014751045 520922202 /nfs/dbraw/zinc/92/22/02/520922202.db2.gz SUYSVGJIJWGJKD-HSZRJFAPSA-N 1 1 477.602 2.763 50 0 JFAAMO CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035455996 521503281 /nfs/dbraw/zinc/50/32/81/521503281.db2.gz MMXQGXJZNWQEOL-UHFFFAOYSA-N 1 1 460.534 2.925 50 0 JFAAMO CCOC(=O)c1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035455996 521503290 /nfs/dbraw/zinc/50/32/90/521503290.db2.gz MMXQGXJZNWQEOL-UHFFFAOYSA-N 1 1 460.534 2.925 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(-n3cccc3)c2c1=O ZINC000021647762 521655025 /nfs/dbraw/zinc/65/50/25/521655025.db2.gz QALKQNJTILQUNH-FQEVSTJZSA-N 1 1 493.999 2.935 50 0 JFAAMO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014746141 521664326 /nfs/dbraw/zinc/66/43/26/521664326.db2.gz SXWKKAXKMQMXFL-RZUBCFFCSA-N 1 1 457.663 2.960 50 0 JFAAMO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)C2 ZINC000014746141 521664327 /nfs/dbraw/zinc/66/43/27/521664327.db2.gz SXWKKAXKMQMXFL-RZUBCFFCSA-N 1 1 457.663 2.960 50 0 JFAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1cccc3ccccc31)CC2 ZINC000014962203 521781351 /nfs/dbraw/zinc/78/13/51/521781351.db2.gz JRZNJJZBKZEJBI-IBGZPJMESA-N 1 1 489.572 2.704 50 0 JFAAMO CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000014996685 521926664 /nfs/dbraw/zinc/92/66/64/521926664.db2.gz WJFJCRTZXBTUJJ-HSZRJFAPSA-N 1 1 472.589 2.845 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000014879361 522016973 /nfs/dbraw/zinc/01/69/73/522016973.db2.gz CTXYGVBHJBDTJB-DYTRJAOYSA-N 1 1 475.593 2.835 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000014879361 522016985 /nfs/dbraw/zinc/01/69/85/522016985.db2.gz CTXYGVBHJBDTJB-DYTRJAOYSA-N 1 1 475.593 2.835 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CC[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014997384 522019237 /nfs/dbraw/zinc/01/92/37/522019237.db2.gz MIRMXAOCKNQTRM-UHFFFAOYSA-N 1 1 480.590 2.865 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCc1cccs1)CC[N@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000014997384 522019245 /nfs/dbraw/zinc/01/92/45/522019245.db2.gz MIRMXAOCKNQTRM-UHFFFAOYSA-N 1 1 480.590 2.865 50 0 JFAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)CN2C(=O)c4ccccc4C2=O)CCO3)C1 ZINC000012213316 522456700 /nfs/dbraw/zinc/45/67/00/522456700.db2.gz JIISJKDBLKCIHZ-HXUWFJFHSA-N 1 1 477.561 2.562 50 0 JFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000035459654 523020958 /nfs/dbraw/zinc/02/09/58/523020958.db2.gz XPVTULHDTTYYEU-FQEVSTJZSA-N 1 1 454.637 2.853 50 0 JFAAMO CCn1c2ccccc2n(CC(=O)NCC[N@@H+](CCc2ccccc2)Cc2ccco2)c(=O)c1=O ZINC000021649748 523280303 /nfs/dbraw/zinc/28/03/03/523280303.db2.gz FQVIMWBXOCVKPP-UHFFFAOYSA-N 1 1 474.561 2.637 50 0 JFAAMO 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491.544 2.829 50 0 JFAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000019740128 556363517 /nfs/dbraw/zinc/36/35/17/556363517.db2.gz LCTOMODBCSQXOH-UHFFFAOYSA-N 1 1 491.544 2.829 50 0 JFAAMO CCC(CC)[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[NH+]1CCOCC1 ZINC000030943949 556389051 /nfs/dbraw/zinc/38/90/51/556389051.db2.gz QEIYCEIKHYZWHJ-PMACEKPBSA-N 1 1 471.689 2.710 50 0 JFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccco3)CC2)c1 ZINC000032671901 556468325 /nfs/dbraw/zinc/46/83/25/556468325.db2.gz GRSMFFKMUKNYHL-DEOSSOPVSA-N 1 1 489.572 2.817 50 0 JFAAMO O=S(=O)(c1cccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1)N1CCOCC1 ZINC000032759902 556487753 /nfs/dbraw/zinc/48/77/53/556487753.db2.gz LJERGWLURUWXQJ-UHFFFAOYSA-N 1 1 484.544 2.834 50 0 JFAAMO O=S(=O)(c1cccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1)N1CCOCC1 ZINC000032759902 556487758 /nfs/dbraw/zinc/48/77/58/556487758.db2.gz LJERGWLURUWXQJ-UHFFFAOYSA-N 1 1 484.544 2.834 50 0 JFAAMO 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COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2C ZINC000049717459 563203255 /nfs/dbraw/zinc/20/32/55/563203255.db2.gz ORYPYSWFPIWMNC-RDQAEZFGSA-N 1 1 479.558 2.891 50 0 JFAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)[nH]c1=O ZINC000056952763 569593385 /nfs/dbraw/zinc/59/33/85/569593385.db2.gz CGBZKFIDOLYDGZ-UHFFFAOYSA-N 1 1 482.947 2.586 50 0 JFAAMO CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)sc2C1 ZINC000032969097 569603398 /nfs/dbraw/zinc/60/33/98/569603398.db2.gz JDLOVIRYXMOJRP-INIZCTEOSA-N 1 1 458.584 2.568 50 0 JFAAMO CC[N@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(OC)c(OC)c4)C3)sc2C1 ZINC000032969097 569603400 /nfs/dbraw/zinc/60/34/00/569603400.db2.gz JDLOVIRYXMOJRP-INIZCTEOSA-N 1 1 458.584 2.568 50 0 JFAAMO O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000062580167 569611763 /nfs/dbraw/zinc/61/17/63/569611763.db2.gz IMDVKQBPKYJABY-OAQYLSRUSA-N 1 1 466.504 2.812 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)c1C ZINC000063671315 569615887 /nfs/dbraw/zinc/61/58/87/569615887.db2.gz OWWNEHJVCQJHQT-QFIPXVFZSA-N 1 1 478.684 2.606 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565640 569619242 /nfs/dbraw/zinc/61/92/42/569619242.db2.gz CVRVCIRSQRXINW-FQEVSTJZSA-N 1 1 494.640 2.718 50 0 JFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033276805 569622192 /nfs/dbraw/zinc/62/21/92/569622192.db2.gz ITDQBHPHQBHGMI-HXUWFJFHSA-N 1 1 487.626 2.615 50 0 JFAAMO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[NH+]2CCN(C)CC2)C3=O)o1 ZINC000033331894 569624564 /nfs/dbraw/zinc/62/45/64/569624564.db2.gz DMYGXKKYVJOTMS-AREMUKBSSA-N 1 1 469.630 2.844 50 0 JFAAMO COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCC2)N(CCC[NH+]2CCOCC2)C1=O ZINC000033332128 569624796 /nfs/dbraw/zinc/62/47/96/569624796.db2.gz DWFPEFXQKFOUMZ-HHHXNRCGSA-N 1 1 498.624 2.654 50 0 JFAAMO CCn1c2c(C(=O)NCCCOC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835875 569636569 /nfs/dbraw/zinc/63/65/69/569636569.db2.gz PJNOBLRLRYSSLK-UHFFFAOYSA-N 1 1 451.571 2.619 50 0 JFAAMO COc1cc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)cc(OC)c1 ZINC000064836080 569636712 /nfs/dbraw/zinc/63/67/12/569636712.db2.gz XQBYFFFGVIVZIA-UHFFFAOYSA-N 1 1 473.533 2.861 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(COc2ccc(NC(=O)c3ccccc3)cc2)on1 ZINC000065027028 569651830 /nfs/dbraw/zinc/65/18/30/569651830.db2.gz JFHDLRNTPCMSMF-UHFFFAOYSA-N 1 1 464.522 2.958 50 0 JFAAMO COc1ccc(CC(=O)N2CCc3nc(N4CCC(C)CC4)nc(N4CC[NH+](C)CC4)c3C2)cc1 ZINC000034756416 569656549 /nfs/dbraw/zinc/65/65/49/569656549.db2.gz VKWPVSAEDVYMRD-UHFFFAOYSA-N 1 1 478.641 2.601 50 0 JFAAMO C[NH+]1CCN(C(=O)C2CCN(c3ncccc3-c3nc(-c4cccc(F)c4)no3)CC2)CC1 ZINC000065130711 569667289 /nfs/dbraw/zinc/66/72/89/569667289.db2.gz UHLPEKOXNKHKTA-UHFFFAOYSA-N 1 1 450.518 2.928 50 0 JFAAMO COc1cccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928058 569673321 /nfs/dbraw/zinc/67/33/21/569673321.db2.gz CDPJDDFBLGSZAK-DQEYMECFSA-N 1 1 463.578 2.977 50 0 JFAAMO Cc1ccccc1-n1c(=O)c2sccc2n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000067217846 569679781 /nfs/dbraw/zinc/67/97/81/569679781.db2.gz MFAXIBDXPFFFTE-UHFFFAOYSA-N 1 1 474.586 2.867 50 0 JFAAMO CCOc1cc([C@H]2NC(=O)N=C(CN3CC[NH+](C4CCCCC4)CC3)C2C(=O)OC)ccc1O ZINC000067285687 569683478 /nfs/dbraw/zinc/68/34/78/569683478.db2.gz UANXJUHMWZBXGD-HSZRJFAPSA-N 1 1 472.586 2.522 50 0 JFAAMO CCOc1ccccc1[C@@H]1NC(=O)N=C(CN2CC[NH+](C3CCCCC3)CC2)C1C(=O)OC ZINC000067287904 569684694 /nfs/dbraw/zinc/68/46/94/569684694.db2.gz UIBHLKNWDJBJMQ-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(NC(=O)NC4CCCCC4)CC3)CC2)c1 ZINC000071823355 569698765 /nfs/dbraw/zinc/69/87/65/569698765.db2.gz NKPKADVIMYIGML-UHFFFAOYSA-N 1 1 455.647 2.736 50 0 JFAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000071862785 569699136 /nfs/dbraw/zinc/69/91/36/569699136.db2.gz DJZSIRJFOUSZPH-KNQAVFIVSA-N 1 1 472.611 2.529 50 0 JFAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000071862785 569699137 /nfs/dbraw/zinc/69/91/37/569699137.db2.gz DJZSIRJFOUSZPH-KNQAVFIVSA-N 1 1 472.611 2.529 50 0 JFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000072441897 569704146 /nfs/dbraw/zinc/70/41/46/569704146.db2.gz HMQQEFGHZPPYBA-UHFFFAOYSA-N 1 1 455.506 2.915 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1 ZINC000035562027 569704607 /nfs/dbraw/zinc/70/46/07/569704607.db2.gz CTODQNLBMNJGJM-UHFFFAOYSA-N 1 1 460.022 2.817 50 0 JFAAMO O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894134 569722787 /nfs/dbraw/zinc/72/27/87/569722787.db2.gz RMXIJQFKDLQBCY-AHWVRZQESA-N 1 1 466.601 2.527 50 0 JFAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095479235 569724464 /nfs/dbraw/zinc/72/44/64/569724464.db2.gz ZSFUTDJEGCLUIU-UHFFFAOYSA-N 1 1 488.632 2.830 50 0 JFAAMO CCN1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCC[NH+](C)C)o3)n2)CC1 ZINC000096211167 569738278 /nfs/dbraw/zinc/73/82/78/569738278.db2.gz BATGAHLVHFARAF-UHFFFAOYSA-N 1 1 486.564 2.814 50 0 JFAAMO CCN1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCC[NH+](C)C)o3)n2)CC1 ZINC000096211520 569738418 /nfs/dbraw/zinc/73/84/18/569738418.db2.gz LGJLWVSMHBZENP-UHFFFAOYSA-N 1 1 460.648 2.919 50 0 JFAAMO O=S(=O)(c1ccc2oc(=S)n(CN3CC[NH+](Cc4cccs4)CC3)c2c1)N1CCOCC1 ZINC000096865443 569743504 /nfs/dbraw/zinc/74/35/04/569743504.db2.gz LJOGBCFVTQSMCG-UHFFFAOYSA-N 1 1 494.664 2.821 50 0 JFAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)CC1 ZINC000036008582 569747867 /nfs/dbraw/zinc/74/78/67/569747867.db2.gz YDWLHCAYIRWPQJ-UHFFFAOYSA-N 1 1 475.376 2.932 50 0 JFAAMO CCNC(=O)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1 ZINC000036040576 569753222 /nfs/dbraw/zinc/75/32/22/569753222.db2.gz BDVRMQYGCHPIMA-UHFFFAOYSA-N 1 1 483.638 2.998 50 0 JFAAMO CN(C)S(=O)(=O)c1ccc2oc(COc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000036360338 569772557 /nfs/dbraw/zinc/77/25/57/569772557.db2.gz RSOYTEVXMCNJRR-UHFFFAOYSA-N 1 1 457.552 2.650 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cccc(Cn3ccs/c3=N\S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000037437268 569790359 /nfs/dbraw/zinc/79/03/59/569790359.db2.gz QLGYWELEIFXPLT-BZZOAKBMSA-N 1 1 488.610 2.804 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000105003219 569849143 /nfs/dbraw/zinc/84/91/43/569849143.db2.gz NDUTVZNDSPBAMD-PZJWPPBQSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000105003219 569849144 /nfs/dbraw/zinc/84/91/44/569849144.db2.gz NDUTVZNDSPBAMD-PZJWPPBQSA-N 1 1 492.638 2.607 50 0 JFAAMO CC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000105002617 569849286 /nfs/dbraw/zinc/84/92/86/569849286.db2.gz IUKYSHHMPQLMND-XMSQKQJNSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000105002617 569849288 /nfs/dbraw/zinc/84/92/88/569849288.db2.gz IUKYSHHMPQLMND-XMSQKQJNSA-N 1 1 462.612 2.981 50 0 JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136957312 569864859 /nfs/dbraw/zinc/86/48/59/569864859.db2.gz PSMKLWAWNWTCCN-YESZJQIVSA-N 1 1 478.549 2.961 50 0 biogenic JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136957312 569864860 /nfs/dbraw/zinc/86/48/60/569864860.db2.gz PSMKLWAWNWTCCN-YESZJQIVSA-N 1 1 478.549 2.961 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1cccc(O)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427511 569996306 /nfs/dbraw/zinc/99/63/06/569996306.db2.gz YPFGOJCXWLUXKL-MMOPVJDHSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1cccc(O)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427511 569996308 /nfs/dbraw/zinc/99/63/08/569996308.db2.gz YPFGOJCXWLUXKL-MMOPVJDHSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COc1cc2nc(CSCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)[nH]c(=O)c2cc1OC ZINC000229702326 570040948 /nfs/dbraw/zinc/04/09/48/570040948.db2.gz LCVVTZARYONMQS-QAPCUYQASA-N 1 1 460.600 2.967 50 0 JFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCCN1CCOCC1)C2 ZINC000230138108 570045796 /nfs/dbraw/zinc/04/57/96/570045796.db2.gz ZSHBRYUNOYOXHG-BDYUSTAISA-N 1 1 496.627 2.536 50 0 JFAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000245237798 570057372 /nfs/dbraw/zinc/05/73/72/570057372.db2.gz XEMHQPPONVWRQL-JXFKEZNVSA-N 1 1 459.568 2.510 50 0 JFAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000245237798 570057373 /nfs/dbraw/zinc/05/73/73/570057373.db2.gz XEMHQPPONVWRQL-JXFKEZNVSA-N 1 1 459.568 2.510 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000245279889 570061771 /nfs/dbraw/zinc/06/17/71/570061771.db2.gz JHKWTXWPOFLJGY-NFBKMPQASA-N 1 1 476.639 2.907 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1 ZINC000245279889 570061772 /nfs/dbraw/zinc/06/17/72/570061772.db2.gz JHKWTXWPOFLJGY-NFBKMPQASA-N 1 1 476.639 2.907 50 0 JFAAMO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C1CC1 ZINC000245280768 570061810 /nfs/dbraw/zinc/06/18/10/570061810.db2.gz SMIIAZWUBZOTRY-UYAOXDASSA-N 1 1 460.596 2.733 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COC ZINC000245329257 570066081 /nfs/dbraw/zinc/06/60/81/570066081.db2.gz RZKWYGFRZZVHSZ-PGRDOPGGSA-N 1 1 462.612 2.981 50 0 JFAAMO CCCCN1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248213031 570076234 /nfs/dbraw/zinc/07/62/34/570076234.db2.gz FCCFRZPQNNQUST-ZMRSVYEUSA-N 1 1 453.926 2.594 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5cccc(CC)c5NC4=O)[C@H]3C2=O)cc1 ZINC000248266199 570077279 /nfs/dbraw/zinc/07/72/79/570077279.db2.gz DWZCDFFQIFCPHF-XTYKIWRDSA-N 1 1 473.529 2.857 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000252517638 570082911 /nfs/dbraw/zinc/08/29/11/570082911.db2.gz NRXWGMOHUSCFRG-LIMQYEAOSA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000252517638 570082912 /nfs/dbraw/zinc/08/29/12/570082912.db2.gz NRXWGMOHUSCFRG-LIMQYEAOSA-N 1 1 479.558 2.891 50 0 JFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2OC)C1 ZINC000263585742 570171321 /nfs/dbraw/zinc/17/13/21/570171321.db2.gz LYPXMBUEQOSGCI-RBZQAINGSA-N 1 1 471.642 2.826 50 0 biogenic JFAAMO COc1cc2ncn(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(=O)c2cc1OC ZINC000263585896 570171510 /nfs/dbraw/zinc/17/15/10/570171510.db2.gz NQRDGLVQFVPWOD-KOZCABKTSA-N 1 1 478.593 2.835 50 0 biogenic JFAAMO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@H+](CCc1ccccc1)CC2 ZINC000299768879 570175504 /nfs/dbraw/zinc/17/55/04/570175504.db2.gz KYBYHYWDKXENCE-UHFFFAOYSA-N 1 1 452.580 2.686 50 0 JFAAMO COc1ccc([C@]2(CC(=O)N(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771567 570175771 /nfs/dbraw/zinc/17/57/71/570175771.db2.gz QYUPJIHYOKRQEZ-SIBVEZHUSA-N 1 1 455.599 2.681 50 0 JFAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000003007196 194202552 /nfs/dbraw/zinc/20/25/52/194202552.db2.gz WBWZUKUODVJRGU-UHFFFAOYSA-N 1 1 476.624 2.650 50 0 JFAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000003007196 194202555 /nfs/dbraw/zinc/20/25/55/194202555.db2.gz WBWZUKUODVJRGU-UHFFFAOYSA-N 1 1 476.624 2.650 50 0 JFAAMO O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009860818 195001448 /nfs/dbraw/zinc/00/14/48/195001448.db2.gz HBMXJLNPAILVAE-UHFFFAOYSA-N 1 1 467.573 2.947 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012698804 195090955 /nfs/dbraw/zinc/09/09/55/195090955.db2.gz ZCXRILVBDHAHQD-UHFFFAOYSA-N 1 1 469.529 2.979 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012698804 195090958 /nfs/dbraw/zinc/09/09/58/195090958.db2.gz ZCXRILVBDHAHQD-UHFFFAOYSA-N 1 1 469.529 2.979 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[N@@H+](C)Cc2ccc(C)cc2C)C2CCCC2)c(=O)[nH]c1=O ZINC000012777141 195121683 /nfs/dbraw/zinc/12/16/83/195121683.db2.gz NLFCIYXMTROXPZ-UHFFFAOYSA-N 1 1 455.603 2.943 50 0 JFAAMO COC(=O)c1sc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c(C(=O)OC)c1C ZINC000012815419 195146634 /nfs/dbraw/zinc/14/66/34/195146634.db2.gz PCCNGISIHXLSFI-UHFFFAOYSA-N 1 1 466.581 2.704 50 0 JFAAMO CN(CC(=O)Nc1ccccc1Br)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012818137 195147915 /nfs/dbraw/zinc/14/79/15/195147915.db2.gz PHJUHWJHVMYMKR-UHFFFAOYSA-N 1 1 459.388 2.664 50 0 JFAAMO COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Br)c1O ZINC000012818088 195147974 /nfs/dbraw/zinc/14/79/74/195147974.db2.gz JGNRDTLPPMIASV-KRWDZBQOSA-N 1 1 460.288 2.771 50 0 JFAAMO CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000012894084 195174455 /nfs/dbraw/zinc/17/44/55/195174455.db2.gz IMFJDIKYUJYJNB-HSZRJFAPSA-N 1 1 471.623 2.914 50 0 JFAAMO CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000012894088 195174710 /nfs/dbraw/zinc/17/47/10/195174710.db2.gz IMFJDIKYUJYJNB-QHCPKHFHSA-N 1 1 471.623 2.914 50 0 JFAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc21 ZINC000020683449 195204476 /nfs/dbraw/zinc/20/44/76/195204476.db2.gz ADDDYWRFGJDQRC-GOSISDBHSA-N 1 1 476.643 2.801 50 0 JFAAMO COc1cc2c(c3oc(=O)c(CC(=O)NCCC[NH+]4CCOCC4)c(C)c13)CCC(C)(C)O2 ZINC000020760374 195217437 /nfs/dbraw/zinc/21/74/37/195217437.db2.gz UKOIAHQVLUJCFN-UHFFFAOYSA-N 1 1 458.555 2.595 50 0 biogenic JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](Cc1ccc(C)c(C)c1)CC2 ZINC000020781153 195224564 /nfs/dbraw/zinc/22/45/64/195224564.db2.gz LKQNEIMPHSIINY-UHFFFAOYSA-N 1 1 463.582 2.549 50 0 JFAAMO Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000021148425 195281937 /nfs/dbraw/zinc/28/19/37/195281937.db2.gz DPZHWROFOGJWKX-UHFFFAOYSA-N 1 1 471.602 2.605 50 0 JFAAMO CC(C)(C)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCN(c3ccccc3)CC1)C(=O)CO2 ZINC000058093385 195364683 /nfs/dbraw/zinc/36/46/83/195364683.db2.gz YSLCZKGMXWFTPM-UHFFFAOYSA-N 1 1 450.583 2.648 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)CC2)cc1 ZINC000058172462 195371104 /nfs/dbraw/zinc/37/11/04/195371104.db2.gz AIQRFJVWJREOFN-HXUWFJFHSA-N 1 1 477.652 2.571 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+](Cc3cccs3)C[C@H]3CCCO3)CC2)cc1 ZINC000058172462 195371107 /nfs/dbraw/zinc/37/11/07/195371107.db2.gz AIQRFJVWJREOFN-HXUWFJFHSA-N 1 1 477.652 2.571 50 0 JFAAMO CCc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000058218337 195374021 /nfs/dbraw/zinc/37/40/21/195374021.db2.gz ZPDGJQGSBXZENL-KDURUIRLSA-N 1 1 465.660 2.756 50 0 JFAAMO CC(C)[C@H](CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)[NH+]1CCOCC1 ZINC000058715089 195380292 /nfs/dbraw/zinc/38/02/92/195380292.db2.gz MKZDYQOVXXOBCJ-KRWDZBQOSA-N 1 1 463.932 2.942 50 0 JFAAMO CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1=O ZINC000014963655 519662843 /nfs/dbraw/zinc/66/28/43/519662843.db2.gz VPPSQIAQABHIBK-OYRHEFFESA-N 1 1 488.673 2.994 50 0 JFAAMO CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1=O ZINC000014963655 519662846 /nfs/dbraw/zinc/66/28/46/519662846.db2.gz VPPSQIAQABHIBK-OYRHEFFESA-N 1 1 488.673 2.994 50 0 JFAAMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)cc1 ZINC000014749870 519716661 /nfs/dbraw/zinc/71/66/61/519716661.db2.gz WZAQCUCEHSJDHY-GOSISDBHSA-N 1 1 461.566 2.883 50 0 JFAAMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(c(C(=O)N[C@H](C)c4ccccc4)nn3CCO)C2)cc1 ZINC000014749870 519716663 /nfs/dbraw/zinc/71/66/63/519716663.db2.gz WZAQCUCEHSJDHY-GOSISDBHSA-N 1 1 461.566 2.883 50 0 JFAAMO CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)cc(C)c2c1 ZINC000021704005 519734999 /nfs/dbraw/zinc/73/49/99/519734999.db2.gz WMWMJCIXJPERHG-UHFFFAOYSA-N 1 1 453.587 2.557 50 0 JFAAMO CCOCCCNC(=O)c1c(=O)cc(C)n(CCC[NH+]2CCOCC2)c1Cc1cccc(F)c1 ZINC000014967967 519893850 /nfs/dbraw/zinc/89/38/50/519893850.db2.gz XULYDCKRHFXYIC-UHFFFAOYSA-N 1 1 473.589 2.765 50 0 JFAAMO CC(C)n1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262805 520139205 /nfs/dbraw/zinc/13/92/05/520139205.db2.gz ZVMFDJFTJUKNBR-IBGZPJMESA-N 1 1 490.674 2.794 50 0 JFAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000022807437 520386124 /nfs/dbraw/zinc/38/61/24/520386124.db2.gz PRGMZPRTYSDCJM-VWLOTQADSA-N 1 1 464.610 2.905 50 0 JFAAMO CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1N1CC[NH+](CCO)CC1 ZINC000020392706 520577453 /nfs/dbraw/zinc/57/74/53/520577453.db2.gz RNXVIGKEBHAFIY-UHFFFAOYSA-N 1 1 468.627 2.805 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)ccc1OC ZINC000020452895 520699876 /nfs/dbraw/zinc/69/98/76/520699876.db2.gz ZVQUUQSSJSNPHD-IBGZPJMESA-N 1 1 459.591 2.594 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022437312 520794312 /nfs/dbraw/zinc/79/43/12/520794312.db2.gz FLIPQUHYFHPJOO-UHFFFAOYSA-N 1 1 474.627 2.549 50 0 JFAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3ncnc(NCCC[NH+]4CCOCC4)c3c2C)C1 ZINC000014990896 521111681 /nfs/dbraw/zinc/11/16/81/521111681.db2.gz OUUMCRNOWPGSMD-QGZVFWFLSA-N 1 1 475.615 2.549 50 0 JFAAMO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)CN3Cc4ccc(OC)cc4O[C@H](C)C3)CC2)C1 ZINC000012218573 521296852 /nfs/dbraw/zinc/29/68/52/521296852.db2.gz VKLYJLZPMSJQKT-CTNGQTDRSA-N 1 1 473.614 2.544 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)cs3)C2)CC1 ZINC000033279499 521667937 /nfs/dbraw/zinc/66/79/37/521667937.db2.gz BPJMRJOGSYKEDN-QGZVFWFLSA-N 1 1 493.655 2.630 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)sc3C)C2)CC1 ZINC000035502952 521669255 /nfs/dbraw/zinc/66/92/55/521669255.db2.gz UXFKAPLGLVCQIH-KRWDZBQOSA-N 1 1 493.655 2.549 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2cccs2)CC1 ZINC000020508136 521681245 /nfs/dbraw/zinc/68/12/45/521681245.db2.gz AOABYTJRDUODTE-RPWUZVMVSA-N 1 1 484.666 2.819 50 0 JFAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(c4ncnc5onc(C)c54)C3)cc2)CC1 ZINC000021533201 521688307 /nfs/dbraw/zinc/68/83/07/521688307.db2.gz BWRVAZXQWLEBPG-FQEVSTJZSA-N 1 1 463.586 2.919 50 0 JFAAMO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@H+](CCCC(F)(F)F)CC2 ZINC000012244327 521774775 /nfs/dbraw/zinc/77/47/75/521774775.db2.gz BIGUCRJBHLRGBC-UHFFFAOYSA-N 1 1 470.492 2.581 50 0 JFAAMO COC(=O)c1c(OCCCc2cnn(C)c2)cc(=O)n2c1CC[N@@H+](CCCC(F)(F)F)CC2 ZINC000012244327 521774792 /nfs/dbraw/zinc/77/47/92/521774792.db2.gz BIGUCRJBHLRGBC-UHFFFAOYSA-N 1 1 470.492 2.581 50 0 JFAAMO COC(=O)c1c(OC[C@H]2CC(=O)N(C)C2)cc(=O)n2c1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000014964963 521779324 /nfs/dbraw/zinc/77/93/24/521779324.db2.gz AWHIOMCMGNVPQM-QFIPXVFZSA-N 1 1 495.620 2.749 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000014991064 522015415 /nfs/dbraw/zinc/01/54/15/522015415.db2.gz HLRMDEHCSJQTEC-UHFFFAOYSA-N 1 1 475.549 2.734 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000014991064 522015425 /nfs/dbraw/zinc/01/54/25/522015425.db2.gz HLRMDEHCSJQTEC-UHFFFAOYSA-N 1 1 475.549 2.734 50 0 JFAAMO COC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)CC1CC1 ZINC000036310068 522786519 /nfs/dbraw/zinc/78/65/19/522786519.db2.gz FVACSDANNDQYAH-XXBNENTESA-N 1 1 474.623 2.981 50 0 JFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008662084 523019731 /nfs/dbraw/zinc/01/97/31/523019731.db2.gz WUCGQOVKAOZLCO-SFHVURJKSA-N 1 1 474.627 2.697 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008662083 523169622 /nfs/dbraw/zinc/16/96/22/523169622.db2.gz WUCGQOVKAOZLCO-GOSISDBHSA-N 1 1 474.627 2.697 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1F)C[C@@H](O)COC ZINC000036309196 523239177 /nfs/dbraw/zinc/23/91/77/523239177.db2.gz GSAAFICXRBMXLQ-NQIIRXRSSA-N 1 1 480.602 2.738 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@H](O)COC ZINC000036308998 523239233 /nfs/dbraw/zinc/23/92/33/523239233.db2.gz LIDSWNZLLMPXGT-NZQKXSOJSA-N 1 1 476.639 2.907 50 0 JFAAMO CCn1c2ccccc2nc(N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1=O ZINC000022592723 523284765 /nfs/dbraw/zinc/28/47/65/523284765.db2.gz NSBNMSJDNXDVKO-JOCHJYFZSA-N 1 1 459.594 2.977 50 0 JFAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCOCC1)C2 ZINC000014742756 523611255 /nfs/dbraw/zinc/61/12/55/523611255.db2.gz DZRLJZATHLEUCY-HSZRJFAPSA-N 1 1 479.669 2.876 50 0 JFAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCC([C@@]3(c4ccccn4)NC(=O)N(CCc4cccs4)C3=O)CC2)C1 ZINC000012242810 523812254 /nfs/dbraw/zinc/81/22/54/523812254.db2.gz WGGSCKCPYUEANT-BCHFMIIMSA-N 1 1 495.649 2.713 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020465238 523897091 /nfs/dbraw/zinc/89/70/91/523897091.db2.gz RSTFYYSKLJCSLN-UHFFFAOYSA-N 1 1 452.628 2.650 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(c(=O)n4ncc(C(=O)NCCCc5ccccc5)c4n3C)C2)cc1 ZINC000064967748 524039112 /nfs/dbraw/zinc/03/91/12/524039112.db2.gz XMHVZPCASBMJMK-UHFFFAOYSA-N 1 1 485.588 2.963 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)NCCCc5ccccc5)c4n3C)C2)cc1 ZINC000064967748 524039113 /nfs/dbraw/zinc/03/91/13/524039113.db2.gz XMHVZPCASBMJMK-UHFFFAOYSA-N 1 1 485.588 2.963 50 0 JFAAMO 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COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(Cl)c1OC ZINC000020601199 555842284 /nfs/dbraw/zinc/84/22/84/555842284.db2.gz DLLZZVLNAJHGLT-UHFFFAOYSA-N 1 1 455.946 2.937 50 0 JFAAMO CCC(CC)C[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000014999212 555843561 /nfs/dbraw/zinc/84/35/61/555843561.db2.gz YGIAHMZIIFLSQT-REWPJTCUSA-N 1 1 464.570 2.981 50 0 JFAAMO COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3C3CC3)nc1-2 ZINC000015006834 555851244 /nfs/dbraw/zinc/85/12/44/555851244.db2.gz GHPRJUMNRVALKB-UHFFFAOYSA-N 1 1 488.592 2.766 50 0 JFAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103897 555876812 /nfs/dbraw/zinc/87/68/12/555876812.db2.gz YSQNKGOODNSPMG-LJQANCHMSA-N 1 1 458.628 2.504 50 0 JFAAMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103897 555876814 /nfs/dbraw/zinc/87/68/14/555876814.db2.gz YSQNKGOODNSPMG-LJQANCHMSA-N 1 1 458.628 2.504 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](C[C@@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000011998209 555880682 /nfs/dbraw/zinc/88/06/82/555880682.db2.gz IWIHZSGUEBWSHC-IBGZPJMESA-N 1 1 491.592 2.725 50 0 JFAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000011998414 555881141 /nfs/dbraw/zinc/88/11/41/555881141.db2.gz QNRGKVINJNWZJB-HXUWFJFHSA-N 1 1 498.026 2.522 50 0 JFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000012129958 555911326 /nfs/dbraw/zinc/91/13/26/555911326.db2.gz HDKCTBZATBQHMY-UHFFFAOYSA-N 1 1 489.498 2.973 50 0 JFAAMO Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000015671303 555928152 /nfs/dbraw/zinc/92/81/52/555928152.db2.gz BISUPSZLTOCLDR-UHFFFAOYSA-N 1 1 459.616 2.564 50 0 JFAAMO CN(CC(=O)Nc1ccccc1Br)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022912510 555968064 /nfs/dbraw/zinc/96/80/64/555968064.db2.gz CKEVMQVQPPNIJK-UHFFFAOYSA-N 1 1 459.388 2.664 50 0 JFAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccncc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000022946854 555993496 /nfs/dbraw/zinc/99/34/96/555993496.db2.gz UGZXQNAZNSZZFX-DEOSSOPVSA-N 1 1 463.582 2.803 50 0 JFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)CC1 ZINC000012528035 555996654 /nfs/dbraw/zinc/99/66/54/555996654.db2.gz KINMCRRZJQQKIQ-UHFFFAOYSA-N 1 1 492.649 2.849 50 0 JFAAMO Cn1c2nc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)[nH]c1=O ZINC000012530572 556000652 /nfs/dbraw/zinc/00/06/52/556000652.db2.gz YKEGPFHSIPRZMH-UXBLZVDNSA-N 1 1 490.995 2.960 50 0 JFAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCOC1 ZINC000023130741 556019282 /nfs/dbraw/zinc/01/92/82/556019282.db2.gz NYAFUHWBWHGWHJ-QFIPXVFZSA-N 1 1 461.566 2.568 50 0 JFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)C[C@H](C)O1 ZINC000023181796 556028065 /nfs/dbraw/zinc/02/80/65/556028065.db2.gz XSLBRCPDKCBVSD-CALCHBBNSA-N 1 1 459.616 2.769 50 0 JFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)C[C@H](C)O1 ZINC000023181796 556028070 /nfs/dbraw/zinc/02/80/70/556028070.db2.gz XSLBRCPDKCBVSD-CALCHBBNSA-N 1 1 459.616 2.769 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000012567381 556066286 /nfs/dbraw/zinc/06/62/86/556066286.db2.gz RMFOWQAWHWLXBE-HSZRJFAPSA-N 1 1 499.633 2.826 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000012567381 556066289 /nfs/dbraw/zinc/06/62/89/556066289.db2.gz RMFOWQAWHWLXBE-HSZRJFAPSA-N 1 1 499.633 2.826 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015958680 556090276 /nfs/dbraw/zinc/09/02/76/556090276.db2.gz YOUOOKNJMKSFQI-KHTISZTLSA-N 1 1 479.920 2.851 50 0 biogenic JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015958680 556090278 /nfs/dbraw/zinc/09/02/78/556090278.db2.gz YOUOOKNJMKSFQI-KHTISZTLSA-N 1 1 479.920 2.851 50 0 biogenic JFAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001299 556106423 /nfs/dbraw/zinc/10/64/23/556106423.db2.gz NFPIGKHDJZHKST-UNKHORCTSA-N 1 1 465.893 2.808 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016001299 556106425 /nfs/dbraw/zinc/10/64/25/556106425.db2.gz NFPIGKHDJZHKST-UNKHORCTSA-N 1 1 465.893 2.808 50 0 JFAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)cc2)cc1Br ZINC000024539423 556135521 /nfs/dbraw/zinc/13/55/21/556135521.db2.gz AIHZYUIRCSVVHS-UHFFFAOYSA-N 1 1 496.427 2.735 50 0 JFAAMO CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000025330301 556209455 /nfs/dbraw/zinc/20/94/55/556209455.db2.gz FWWBRDRKIGNTTI-UHFFFAOYSA-N 1 1 451.976 2.617 50 0 JFAAMO CCCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013031616 556228527 /nfs/dbraw/zinc/22/85/27/556228527.db2.gz IMVROGTYQDARJF-IBGZPJMESA-N 1 1 499.612 2.660 50 0 JFAAMO CCCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013031616 556228529 /nfs/dbraw/zinc/22/85/29/556228529.db2.gz IMVROGTYQDARJF-IBGZPJMESA-N 1 1 499.612 2.660 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2cccc(C)c2)c1 ZINC000013042301 556248945 /nfs/dbraw/zinc/24/89/45/556248945.db2.gz OCGLWZXOJYCKPD-UHFFFAOYSA-N 1 1 474.627 2.795 50 0 JFAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 ZINC000017276160 556250278 /nfs/dbraw/zinc/25/02/78/556250278.db2.gz OZWMQXYSTZKSGE-GOSISDBHSA-N 1 1 456.612 2.692 50 0 JFAAMO O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000013112436 556313792 /nfs/dbraw/zinc/31/37/92/556313792.db2.gz BYTYRKXVIDUFJL-QFIPXVFZSA-N 1 1 463.644 2.507 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000028878496 556343109 /nfs/dbraw/zinc/34/31/09/556343109.db2.gz CNZZFDKGIOIIBB-NRFANRHFSA-N 1 1 459.930 2.661 50 0 JFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@H]1CCCO1 ZINC000019740769 556364084 /nfs/dbraw/zinc/36/40/84/556364084.db2.gz CCGQDTGWKLMDGS-XMMPIXPASA-N 1 1 475.593 2.753 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000019831005 556398084 /nfs/dbraw/zinc/39/80/84/556398084.db2.gz HPSYULWFKJYBLX-UHFFFAOYSA-N 1 1 459.472 2.966 50 0 JFAAMO CC[C@@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[NH+](C)C ZINC000032691555 556471180 /nfs/dbraw/zinc/47/11/80/556471180.db2.gz XTWLAXOFYBNWIG-KRWDZBQOSA-N 1 1 467.617 2.988 50 0 JFAAMO Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC000032895531 556525371 /nfs/dbraw/zinc/52/53/71/556525371.db2.gz CIAOGXLYLAWUAS-HXUWFJFHSA-N 1 1 470.595 2.956 50 0 JFAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1 ZINC000032921832 556541376 /nfs/dbraw/zinc/54/13/76/556541376.db2.gz DMEWQJNVRHKVEE-DEOSSOPVSA-N 1 1 468.667 2.992 50 0 JFAAMO COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000032926600 556543610 /nfs/dbraw/zinc/54/36/10/556543610.db2.gz ZHBJOQPZGHAVLU-NRFANRHFSA-N 1 1 481.578 2.506 50 0 JFAAMO COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000032926598 556543716 /nfs/dbraw/zinc/54/37/16/556543716.db2.gz ZHBJOQPZGHAVLU-OAQYLSRUSA-N 1 1 481.578 2.506 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c(O)c2c1 ZINC000006181399 562937075 /nfs/dbraw/zinc/93/70/75/562937075.db2.gz DTVKRZUTARXFCC-KRWDZBQOSA-N 1 1 462.616 2.965 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414737 569600196 /nfs/dbraw/zinc/60/01/96/569600196.db2.gz OOQUKDVASJUXGH-XMMPIXPASA-N 1 1 464.566 2.684 50 0 JFAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccc(C)c(C)c3NC2=O)c1 ZINC000061997606 569609831 /nfs/dbraw/zinc/60/98/31/569609831.db2.gz DNDQAQWBBUWGSB-PNOLHXSVSA-N 1 1 461.518 2.752 50 0 biogenic JFAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613428 569612966 /nfs/dbraw/zinc/61/29/66/569612966.db2.gz CENZDJFXGCBZDC-IAGOWNOFSA-N 1 1 487.066 2.936 50 0 JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000062734772 569614828 /nfs/dbraw/zinc/61/48/28/569614828.db2.gz IHPVMJZKBABXDO-LJQANCHMSA-N 1 1 498.070 2.916 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000062734772 569614829 /nfs/dbraw/zinc/61/48/29/569614829.db2.gz IHPVMJZKBABXDO-LJQANCHMSA-N 1 1 498.070 2.916 50 0 JFAAMO C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776047 569627840 /nfs/dbraw/zinc/62/78/40/569627840.db2.gz YGURISROFRVFSX-LJQANCHMSA-N 1 1 490.583 2.917 50 0 JFAAMO Cn1c2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836047 569636705 /nfs/dbraw/zinc/63/67/05/569636705.db2.gz IPNFFVARQXNGDI-UHFFFAOYSA-N 1 1 488.636 2.682 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)C2)CC1 ZINC000064926492 569646893 /nfs/dbraw/zinc/64/68/93/569646893.db2.gz PURBPEYXITWLJZ-JOCHJYFZSA-N 1 1 459.594 2.825 50 0 JFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740638 569655510 /nfs/dbraw/zinc/65/55/10/569655510.db2.gz HZKUIXGWKRCXFI-UNMCSNQZSA-N 1 1 470.566 2.761 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1cccn(-c2ccc(NC(=O)c3ccccc3F)cc2)c1=O ZINC000065062729 569656134 /nfs/dbraw/zinc/65/61/34/569656134.db2.gz TUDJULYGDRQVLP-UHFFFAOYSA-N 1 1 478.524 2.681 50 0 JFAAMO C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(S(=O)(=O)c2ccccc2)CC3)CC1 ZINC000034756723 569656629 /nfs/dbraw/zinc/65/66/29/569656629.db2.gz XMJWHGLTNOUFEY-UHFFFAOYSA-N 1 1 483.569 2.907 50 0 JFAAMO C[NH+]1CCN(C(=O)c2nnc(N3CCN(c4ccccc4Cl)CC3)c3ccccc32)CC1 ZINC000034838391 569666639 /nfs/dbraw/zinc/66/66/39/569666639.db2.gz WKGTXOIEVDWYRN-UHFFFAOYSA-N 1 1 450.974 2.997 50 0 JFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319247 569673891 /nfs/dbraw/zinc/67/38/91/569673891.db2.gz VDSVLUHQEDPPKQ-GOSISDBHSA-N 1 1 461.588 2.515 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000067287445 569684626 /nfs/dbraw/zinc/68/46/26/569684626.db2.gz KFGHLGWIFBPRBL-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO CCCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068832562 569692433 /nfs/dbraw/zinc/69/24/33/569692433.db2.gz SAUIGLCLUQXKFC-DHIUTWEWSA-N 1 1 487.670 2.866 50 0 JFAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000035422020 569692502 /nfs/dbraw/zinc/69/25/02/569692502.db2.gz RKGWUFYVZRIQTM-GOSISDBHSA-N 1 1 465.436 2.588 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000035422020 569692503 /nfs/dbraw/zinc/69/25/03/569692503.db2.gz RKGWUFYVZRIQTM-GOSISDBHSA-N 1 1 465.436 2.588 50 0 JFAAMO O=C(C[NH+]1CCC(C2OCCO2)CC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000069198871 569692511 /nfs/dbraw/zinc/69/25/11/569692511.db2.gz MKILAQAVGIMVFO-UHFFFAOYSA-N 1 1 453.495 2.691 50 0 JFAAMO O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000078743311 569706555 /nfs/dbraw/zinc/70/65/55/569706555.db2.gz SEECJHDKXNFJHE-UHFFFAOYSA-N 1 1 460.538 2.608 50 0 JFAAMO CSc1nn2c(nc(C)c(CCC(=O)N3CC[NH+](C)CC3)c2C)c1S(=O)(=O)c1ccccc1 ZINC000085393570 569710080 /nfs/dbraw/zinc/71/00/80/569710080.db2.gz OFKPTYANWNIUFP-UHFFFAOYSA-N 1 1 487.651 2.607 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000035780334 569711046 /nfs/dbraw/zinc/71/10/46/569711046.db2.gz WUDDWQYMJXMPJB-KKPNIWNPSA-N 1 1 459.502 2.603 50 0 biogenic JFAAMO C=CCN1C2=C(C(=O)N(CCC[NH+]3CCOCC3)C2)[C@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000035834584 569713135 /nfs/dbraw/zinc/71/31/35/569713135.db2.gz ABXLHDIHYRFSBB-FQEVSTJZSA-N 1 1 464.488 2.776 50 0 JFAAMO COc1ccc2[nH]cc(C3=CCN(C(=O)NC4CC[NH+](CC(=O)NC5CC5)CC4)CC3)c2c1 ZINC000089467040 569718587 /nfs/dbraw/zinc/71/85/87/569718587.db2.gz JPZXQCXDYLAYRH-UHFFFAOYSA-N 1 1 451.571 2.718 50 0 JFAAMO Cc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C5CCCCC5)CC4)n3)CC2)c1C ZINC000035926554 569729803 /nfs/dbraw/zinc/72/98/03/569729803.db2.gz ZWTMDCZFLLOKOA-UHFFFAOYSA-N 1 1 492.668 2.938 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000036342299 569765604 /nfs/dbraw/zinc/76/56/04/569765604.db2.gz RQKOZSVBPRAWDP-HSZRJFAPSA-N 1 1 450.539 2.579 50 0 JFAAMO O=C1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000101076738 569781629 /nfs/dbraw/zinc/78/16/29/569781629.db2.gz KXAJUQSGXFJIMB-FQEVSTJZSA-N 1 1 458.356 2.778 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4F)cc32)CC1 ZINC000037512586 569792327 /nfs/dbraw/zinc/79/23/27/569792327.db2.gz CTQSUOYHXCGVLB-UHFFFAOYSA-N 1 1 489.931 2.630 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)c(C)c4)cc32)CC1 ZINC000037513142 569792593 /nfs/dbraw/zinc/79/25/93/569792593.db2.gz SSHUOPHQHHYXPY-UHFFFAOYSA-N 1 1 485.968 2.800 50 0 JFAAMO C[C@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105722753 569853431 /nfs/dbraw/zinc/85/34/31/569853431.db2.gz DMUVQGACGFQXQK-ZACQAIPSSA-N 1 1 451.614 2.705 50 0 JFAAMO C[C@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105722753 569853432 /nfs/dbraw/zinc/85/34/32/569853432.db2.gz DMUVQGACGFQXQK-ZACQAIPSSA-N 1 1 451.614 2.705 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000106535012 569854281 /nfs/dbraw/zinc/85/42/81/569854281.db2.gz ZSSMDIFBPOICDY-KAAUDJBISA-N 1 1 479.920 2.851 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000106535012 569854282 /nfs/dbraw/zinc/85/42/82/569854282.db2.gz ZSSMDIFBPOICDY-KAAUDJBISA-N 1 1 479.920 2.851 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COC ZINC000169680189 569870201 /nfs/dbraw/zinc/87/02/01/569870201.db2.gz LGJTUMUMIQFOKK-DENIHFKCSA-N 1 1 480.602 2.738 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@@H](O)COC ZINC000169680324 569870329 /nfs/dbraw/zinc/87/03/29/569870329.db2.gz AAZBHMCZGGDYGF-XMSQKQJNSA-N 1 1 462.612 2.981 50 0 JFAAMO COC(=O)C[C@@H](c1ccc(C)o1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225411873 569995477 /nfs/dbraw/zinc/99/54/77/569995477.db2.gz IFXJDPXZMUAPBH-AOIWGVFYSA-N 1 1 480.517 2.723 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1ccc(C)o1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225411873 569995478 /nfs/dbraw/zinc/99/54/78/569995478.db2.gz IFXJDPXZMUAPBH-AOIWGVFYSA-N 1 1 480.517 2.723 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414968 569995701 /nfs/dbraw/zinc/99/57/01/569995701.db2.gz AVQVHWUIBNOFEC-LMNJBCLMSA-N 1 1 476.529 2.821 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414968 569995702 /nfs/dbraw/zinc/99/57/02/569995702.db2.gz AVQVHWUIBNOFEC-LMNJBCLMSA-N 1 1 476.529 2.821 50 0 biogenic JFAAMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000229793927 570041271 /nfs/dbraw/zinc/04/12/71/570041271.db2.gz DJZSIRJFOUSZPH-DENIHFKCSA-N 1 1 472.611 2.529 50 0 JFAAMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000229793927 570041272 /nfs/dbraw/zinc/04/12/72/570041272.db2.gz DJZSIRJFOUSZPH-DENIHFKCSA-N 1 1 472.611 2.529 50 0 JFAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@H]2C)c1 ZINC000230136689 570045643 /nfs/dbraw/zinc/04/56/43/570045643.db2.gz GYTYTEXPVNLIGA-OAQYLSRUSA-N 1 1 486.620 2.914 50 0 JFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCCN1CCOCC1)C2 ZINC000230138112 570045865 /nfs/dbraw/zinc/04/58/65/570045865.db2.gz ZSHBRYUNOYOXHG-VPUSJEBWSA-N 1 1 496.627 2.536 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000230202584 570046260 /nfs/dbraw/zinc/04/62/60/570046260.db2.gz LZUHYDOVCBGFSW-DAKPEJIASA-N 1 1 465.531 2.583 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccccc21 ZINC000230202584 570046261 /nfs/dbraw/zinc/04/62/61/570046261.db2.gz LZUHYDOVCBGFSW-DAKPEJIASA-N 1 1 465.531 2.583 50 0 JFAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241231177 570053180 /nfs/dbraw/zinc/05/31/80/570053180.db2.gz KSUWGHTXFKYVMY-OFNKIYASSA-N 1 1 499.633 2.906 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000244748474 570054164 /nfs/dbraw/zinc/05/41/64/570054164.db2.gz OIFKQYQGXLLKAK-VQTJNVASSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000244748474 570054165 /nfs/dbraw/zinc/05/41/65/570054165.db2.gz OIFKQYQGXLLKAK-VQTJNVASSA-N 1 1 478.561 2.869 50 0 JFAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245279555 570061547 /nfs/dbraw/zinc/06/15/47/570061547.db2.gz HZKUIXGWKRCXFI-RBBKRZOGSA-N 1 1 470.566 2.761 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245327706 570065321 /nfs/dbraw/zinc/06/53/21/570065321.db2.gz PQBZPXSNEYDBOO-KOVHZAEASA-N 1 1 474.344 2.603 50 0 JFAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445424 570080951 /nfs/dbraw/zinc/08/09/51/570080951.db2.gz VXTBOKNSSSTTQL-KNQAVFIVSA-N 1 1 485.606 2.516 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000252517639 570082981 /nfs/dbraw/zinc/08/29/81/570082981.db2.gz NRXWGMOHUSCFRG-YYJGEHLNSA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000252517639 570082982 /nfs/dbraw/zinc/08/29/82/570082982.db2.gz NRXWGMOHUSCFRG-YYJGEHLNSA-N 1 1 479.558 2.891 50 0 JFAAMO COc1ccc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397623 570096132 /nfs/dbraw/zinc/09/61/32/570096132.db2.gz BOIAYPLNLVSAMI-FAGZOMQFSA-N 1 1 459.587 2.613 50 0 biogenic JFAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3c(C)noc3C)C2)CC1 ZINC000299780942 570176443 /nfs/dbraw/zinc/17/64/43/570176443.db2.gz BLJBFXCKJLHSSO-HXUWFJFHSA-N 1 1 450.580 2.598 50 0 JFAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CC(C)C)C[C@H](OCc3c(C)noc3C)C2)CC1 ZINC000299780942 570176445 /nfs/dbraw/zinc/17/64/45/570176445.db2.gz BLJBFXCKJLHSSO-HXUWFJFHSA-N 1 1 450.580 2.598 50 0 JFAAMO CC[N@@H+](CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)Cc1ccccc1 ZINC000004034843 194371296 /nfs/dbraw/zinc/37/12/96/194371296.db2.gz SIHDCNGOQRGQQF-UHFFFAOYSA-N 1 1 485.610 2.652 50 0 JFAAMO O=C(CN1CCN(c2ncccn2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004400349 194389136 /nfs/dbraw/zinc/38/91/36/194389136.db2.gz CTQJCMKYFLZBIY-UHFFFAOYSA-N 1 1 456.594 2.532 50 0 JFAAMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000012900111 195177076 /nfs/dbraw/zinc/17/70/76/195177076.db2.gz ZRBRUJUDEFYPGA-UHFFFAOYSA-N 1 1 466.003 2.613 50 0 JFAAMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000012864115 195160861 /nfs/dbraw/zinc/16/08/61/195160861.db2.gz KSOGSQJYTHOYSE-LJQANCHMSA-N 1 1 460.538 2.718 50 0 JFAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012904882 195179083 /nfs/dbraw/zinc/17/90/83/195179083.db2.gz SWZBYMBYWQGSPP-SFHVURJKSA-N 1 1 453.461 2.839 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)CC)cc2c1O ZINC000020682449 195204294 /nfs/dbraw/zinc/20/42/94/195204294.db2.gz DMPPHJNGYBQWNH-GOSISDBHSA-N 1 1 476.643 2.943 50 0 JFAAMO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000020687317 195205616 /nfs/dbraw/zinc/20/56/16/195205616.db2.gz KLFNWEBUARNPLE-XMMPIXPASA-N 1 1 464.610 2.823 50 0 JFAAMO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020981318 195258731 /nfs/dbraw/zinc/25/87/31/195258731.db2.gz WYKYHYCKFYXSRW-VWLOTQADSA-N 1 1 498.649 2.609 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000020996623 195264515 /nfs/dbraw/zinc/26/45/15/195264515.db2.gz ABHFIRWITBSHAU-UHFFFAOYSA-N 1 1 473.533 2.828 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@H+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000020996623 195264518 /nfs/dbraw/zinc/26/45/18/195264518.db2.gz ABHFIRWITBSHAU-UHFFFAOYSA-N 1 1 473.533 2.828 50 0 JFAAMO CN(CC(=O)NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1nnc(N2CCCC2=O)s1 ZINC000021026162 195268703 /nfs/dbraw/zinc/26/87/03/195268703.db2.gz RFSCMTCSYWMXKV-UHFFFAOYSA-N 1 1 460.604 2.645 50 0 JFAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccccc1 ZINC000021026890 195269183 /nfs/dbraw/zinc/26/91/83/195269183.db2.gz SHZSZCOMVXRYSA-FQEVSTJZSA-N 1 1 470.643 2.910 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938327 195337683 /nfs/dbraw/zinc/33/76/83/195337683.db2.gz ZOZCVERLQBONHQ-RUZDIDTESA-N 1 1 461.610 2.935 50 0 JFAAMO Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4CCC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC000057992513 195361195 /nfs/dbraw/zinc/36/11/95/195361195.db2.gz YTTHKYZQONEUTJ-HSZRJFAPSA-N 1 1 460.582 2.996 50 0 JFAAMO O=C(C[NH2+]Cc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000058219051 195374324 /nfs/dbraw/zinc/37/43/24/195374324.db2.gz RHNSZDPSRXMKIT-UHFFFAOYSA-N 1 1 458.367 2.743 50 0 JFAAMO CCC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cc(OC)ccc4OC)n3)c2C)CC1 ZINC000014884493 519857130 /nfs/dbraw/zinc/85/71/30/519857130.db2.gz OHKQCXUANMJPBV-UHFFFAOYSA-N 1 1 450.543 2.823 50 0 JFAAMO CCCC(=O)OC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000036161443 519880800 /nfs/dbraw/zinc/88/08/00/519880800.db2.gz PEWSHMQFZFDMPM-CVEARBPZSA-N 1 1 465.616 2.652 50 0 JFAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000036161443 519880802 /nfs/dbraw/zinc/88/08/02/519880802.db2.gz PEWSHMQFZFDMPM-CVEARBPZSA-N 1 1 465.616 2.652 50 0 JFAAMO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262724 519896477 /nfs/dbraw/zinc/89/64/77/519896477.db2.gz UXVSCCDWJSBTKA-LJQANCHMSA-N 1 1 490.674 2.623 50 0 JFAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1N ZINC000021652097 521578780 /nfs/dbraw/zinc/57/87/80/521578780.db2.gz CSOGIXBHQPFWPW-UHFFFAOYSA-N 1 1 490.608 2.569 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033276806 521654947 /nfs/dbraw/zinc/65/49/47/521654947.db2.gz ITDQBHPHQBHGMI-FQEVSTJZSA-N 1 1 487.626 2.615 50 0 JFAAMO CC[NH+]1CCN(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)CC1 ZINC000020416033 521662289 /nfs/dbraw/zinc/66/22/89/521662289.db2.gz ITYAYRSPKPAMKU-UHFFFAOYSA-N 1 1 460.582 2.679 50 0 JFAAMO CCC[N@@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207263 521693903 /nfs/dbraw/zinc/69/39/03/521693903.db2.gz GHBYHEAEOVKZTQ-OAHLLOKOSA-N 1 1 463.556 2.852 50 0 JFAAMO CCC[N@H+](Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C[C@@H](O)COCc1ccco1 ZINC000036207263 521693907 /nfs/dbraw/zinc/69/39/07/521693907.db2.gz GHBYHEAEOVKZTQ-OAHLLOKOSA-N 1 1 463.556 2.852 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(C)c(Cl)cc4OC)c(=O)c3s2)CC1 ZINC000021886420 521700796 /nfs/dbraw/zinc/70/07/96/521700796.db2.gz PIRCJPZCCZOHDK-UHFFFAOYSA-N 1 1 476.990 2.604 50 0 JFAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccc(O)c(OC)c1)CC2 ZINC000012457118 521779459 /nfs/dbraw/zinc/77/94/59/521779459.db2.gz OTTWTKFYVSAYIU-XJDXJNMNSA-N 1 1 498.576 2.869 50 0 JFAAMO 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CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)nc(C)n3n2)cc1 ZINC000009287472 555060984 /nfs/dbraw/zinc/06/09/84/555060984.db2.gz BZVHERJNJXGFHV-KDURUIRLSA-N 1 1 464.614 2.913 50 0 JFAAMO Cc1c2ccccc2oc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1 ZINC000009492449 555272362 /nfs/dbraw/zinc/27/23/62/555272362.db2.gz FFZHZJUHRZQDPD-UHFFFAOYSA-N 1 1 498.605 2.766 50 0 JFAAMO CC(C)[N@@H+](CCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530040 555324600 /nfs/dbraw/zinc/32/46/00/555324600.db2.gz JOZMPOMLHIMARO-RTWAWAEBSA-N 1 1 490.651 2.529 50 0 JFAAMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000009816854 555522210 /nfs/dbraw/zinc/52/22/10/555522210.db2.gz LUFILQKLEXQESD-KRWDZBQOSA-N 1 1 465.597 2.553 50 0 JFAAMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCOCC1 ZINC000009816854 555522213 /nfs/dbraw/zinc/52/22/13/555522213.db2.gz LUFILQKLEXQESD-KRWDZBQOSA-N 1 1 465.597 2.553 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000019899319 555534868 /nfs/dbraw/zinc/53/48/68/555534868.db2.gz OUWPBKQECTZOCK-UHFFFAOYSA-N 1 1 475.611 2.680 50 0 JFAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CN3CC[NH+](CCO)CC3)cc21 ZINC000020031664 555606571 /nfs/dbraw/zinc/60/65/71/555606571.db2.gz GAOPGHYDLUUTBF-QHCPKHFHSA-N 1 1 495.620 2.774 50 0 JFAAMO Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCC[NH+]4CCOCC4)nn3c2C)cc1 ZINC000020116700 555654254 /nfs/dbraw/zinc/65/42/54/555654254.db2.gz BIPHAPXSGLFWFQ-UHFFFAOYSA-N 1 1 468.627 2.571 50 0 JFAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CC[NH+](CCOCCO)CC5)C4=O)cc3)sc2c1 ZINC000020149190 555664944 /nfs/dbraw/zinc/66/49/44/555664944.db2.gz MTTFFBLRIOWUGE-JOCHJYFZSA-N 1 1 494.617 2.530 50 0 JFAAMO Cn1cnnc1SCC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014021204 555672932 /nfs/dbraw/zinc/67/29/32/555672932.db2.gz VZLDRHVKPARGRA-HXUWFJFHSA-N 1 1 450.568 2.550 50 0 JFAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000014129522 555699370 /nfs/dbraw/zinc/69/93/70/555699370.db2.gz LCVXBVXSNIUYNJ-AEFFLSMTSA-N 1 1 456.568 2.640 50 0 JFAAMO COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000014129522 555699373 /nfs/dbraw/zinc/69/93/73/555699373.db2.gz LCVXBVXSNIUYNJ-AEFFLSMTSA-N 1 1 456.568 2.640 50 0 JFAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014140331 555706059 /nfs/dbraw/zinc/70/60/59/555706059.db2.gz XEMHQPPONVWRQL-OXQOHEQNSA-N 1 1 459.568 2.510 50 0 JFAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014140331 555706063 /nfs/dbraw/zinc/70/60/63/555706063.db2.gz XEMHQPPONVWRQL-OXQOHEQNSA-N 1 1 459.568 2.510 50 0 JFAAMO COC(=O)c1cc(C2CC2)nc2c1c(=O)n(Cc1cn3ccccc3[nH+]1)c(=O)n2-c1ccccc1 ZINC000020220715 555717426 /nfs/dbraw/zinc/71/74/26/555717426.db2.gz SSKPOSGNWWXSRT-UHFFFAOYSA-N 1 1 467.485 2.907 50 0 JFAAMO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000011035011 555755555 /nfs/dbraw/zinc/75/55/55/555755555.db2.gz SICDWQOBDLPNSI-UHFFFAOYSA-N 1 1 451.539 2.708 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288300 555757379 /nfs/dbraw/zinc/75/73/79/555757379.db2.gz QQDYYQLBYLDUKB-AUSIDOKSSA-N 1 1 463.607 2.828 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000020531926 555799591 /nfs/dbraw/zinc/79/95/91/555799591.db2.gz MIAFZAVIGAXSTD-UHFFFAOYSA-N 1 1 472.590 2.652 50 0 JFAAMO Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCCC[NH+]5CCOCC5)CC4)sc3n2)cc1 ZINC000020531932 555799650 /nfs/dbraw/zinc/79/96/50/555799650.db2.gz NXDCQDCKWOVVQS-UHFFFAOYSA-N 1 1 468.627 2.821 50 0 JFAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000011786036 555818960 /nfs/dbraw/zinc/81/89/60/555818960.db2.gz IZXZTGMTSDPFMU-RLWLMLJZSA-N 1 1 495.649 2.856 50 0 JFAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)N4CCNC(=O)C4)nn3CCCc3ccccc3)C2)c1 ZINC000014532638 555820522 /nfs/dbraw/zinc/82/05/22/555820522.db2.gz OAZPSSCQDZGXJT-UHFFFAOYSA-N 1 1 487.604 2.655 50 0 JFAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)N4CCNC(=O)C4)nn3CCCc3ccccc3)C2)c1 ZINC000014532638 555820526 /nfs/dbraw/zinc/82/05/26/555820526.db2.gz OAZPSSCQDZGXJT-UHFFFAOYSA-N 1 1 487.604 2.655 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](CC(C)C)C2)nn1 ZINC000011813791 555829239 /nfs/dbraw/zinc/82/92/39/555829239.db2.gz RSCJQTHBSXLWQK-AEFFLSMTSA-N 1 1 453.465 2.671 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3cc(C)cs3)cc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000014542309 555833021 /nfs/dbraw/zinc/83/30/21/555833021.db2.gz NXSGGOQTRKRJDW-UHFFFAOYSA-N 1 1 463.625 2.522 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c(OC)c1C ZINC000020599372 555840910 /nfs/dbraw/zinc/84/09/10/555840910.db2.gz OTLITQJOQKSJGJ-QGZVFWFLSA-N 1 1 450.543 2.548 50 0 JFAAMO CC(C)C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000015070546 555870128 /nfs/dbraw/zinc/87/01/28/555870128.db2.gz UMYDJGDALXVCBL-HXUWFJFHSA-N 1 1 462.554 2.977 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+](CCCC(F)(F)F)CC2 ZINC000011971470 555873908 /nfs/dbraw/zinc/87/39/08/555873908.db2.gz PKYWBAPFKOXCKU-UHFFFAOYSA-N 1 1 467.488 2.996 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](CCCC(F)(F)F)CC2 ZINC000011971470 555873912 /nfs/dbraw/zinc/87/39/12/555873912.db2.gz PKYWBAPFKOXCKU-UHFFFAOYSA-N 1 1 467.488 2.996 50 0 JFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000012036421 555889371 /nfs/dbraw/zinc/88/93/71/555889371.db2.gz FUHPRZWZCPFJQN-XMMPIXPASA-N 1 1 494.596 2.884 50 0 JFAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000012036421 555889375 /nfs/dbraw/zinc/88/93/75/555889375.db2.gz FUHPRZWZCPFJQN-XMMPIXPASA-N 1 1 494.596 2.884 50 0 JFAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000015240419 555890392 /nfs/dbraw/zinc/89/03/92/555890392.db2.gz NJOVNBSOIMLIGF-PKOBYXMFSA-N 1 1 464.551 2.626 50 0 JFAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000015321414 555898427 /nfs/dbraw/zinc/89/84/27/555898427.db2.gz TVWNYVJJQLXVPO-QFIPXVFZSA-N 1 1 462.550 2.536 50 0 JFAAMO Cn1c(SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000022358713 555925618 /nfs/dbraw/zinc/92/56/18/555925618.db2.gz PRWBXHMJMRYYND-JOCHJYFZSA-N 1 1 495.605 2.568 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)[N@H+](Cc3ccccc3)C2)nn1 ZINC000012191505 555939172 /nfs/dbraw/zinc/93/91/72/555939172.db2.gz KCFYLZCRIBBHFQ-IRLDBZIGSA-N 1 1 467.957 2.893 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000012191505 555939175 /nfs/dbraw/zinc/93/91/75/555939175.db2.gz KCFYLZCRIBBHFQ-IRLDBZIGSA-N 1 1 467.957 2.893 50 0 JFAAMO CCOc1ccc(C[N@@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000012211124 555943132 /nfs/dbraw/zinc/94/31/32/555943132.db2.gz NOHXBTLJGKQFDN-KNQAVFIVSA-N 1 1 455.559 2.682 50 0 JFAAMO CCOc1ccc(C[N@H+]2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000012211124 555943134 /nfs/dbraw/zinc/94/31/34/555943134.db2.gz NOHXBTLJGKQFDN-KNQAVFIVSA-N 1 1 455.559 2.682 50 0 JFAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccn2)CC3)o1 ZINC000012212077 555943323 /nfs/dbraw/zinc/94/33/23/555943323.db2.gz UELWIYOWAKUHRP-FQEVSTJZSA-N 1 1 452.559 2.988 50 0 JFAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccn2)CC3)o1 ZINC000012212077 555943325 /nfs/dbraw/zinc/94/33/25/555943325.db2.gz UELWIYOWAKUHRP-FQEVSTJZSA-N 1 1 452.559 2.988 50 0 JFAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)no1 ZINC000022843471 555956582 /nfs/dbraw/zinc/95/65/82/555956582.db2.gz SURLRSRSXYSFRB-FQEVSTJZSA-N 1 1 466.538 2.771 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2 ZINC000022908945 555966004 /nfs/dbraw/zinc/96/60/04/555966004.db2.gz NYIMHWWWBDYWCR-UHFFFAOYSA-N 1 1 493.029 2.847 50 0 JFAAMO Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022909055 555966357 /nfs/dbraw/zinc/96/63/57/555966357.db2.gz YYHFQXOZOZCHIV-UHFFFAOYSA-N 1 1 456.612 2.802 50 0 JFAAMO CCOc1ccccc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2 ZINC000022909226 555966950 /nfs/dbraw/zinc/96/69/50/555966950.db2.gz SFJCLZQSAMVDBT-UHFFFAOYSA-N 1 1 486.638 2.974 50 0 JFAAMO CC1=C(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731403 555974750 /nfs/dbraw/zinc/97/47/50/555974750.db2.gz RTOSZQZKNHFWLX-QGZVFWFLSA-N 1 1 495.667 2.525 50 0 biogenic JFAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022926505 555977884 /nfs/dbraw/zinc/97/78/84/555977884.db2.gz JEHSVUMWZYYGGJ-UHFFFAOYSA-N 1 1 458.628 2.782 50 0 JFAAMO Cc1nc2ccc(S(=O)(=O)N(CC(=O)N3CC[NH+](C)CC3)Cc3ccccc3)cc2s1 ZINC000015733713 555979061 /nfs/dbraw/zinc/97/90/61/555979061.db2.gz CVEVIXICDGVURJ-UHFFFAOYSA-N 1 1 458.609 2.570 50 0 JFAAMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1C(F)(F)F ZINC000022965956 555994053 /nfs/dbraw/zinc/99/40/53/555994053.db2.gz BRGCZCZGAPUGIB-UHFFFAOYSA-N 1 1 473.492 2.809 50 0 JFAAMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccccc1C(F)(F)F ZINC000022965956 555994056 /nfs/dbraw/zinc/99/40/56/555994056.db2.gz BRGCZCZGAPUGIB-UHFFFAOYSA-N 1 1 473.492 2.809 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N2C(C)=O ZINC000015776025 555995642 /nfs/dbraw/zinc/99/56/42/555995642.db2.gz YJFWWTNZDJFXSL-XMMPIXPASA-N 1 1 492.686 2.766 50 0 JFAAMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000015919216 556066363 /nfs/dbraw/zinc/06/63/63/556066363.db2.gz FKELHNRPRQMJBJ-UHFFFAOYSA-N 1 1 471.623 2.830 50 0 JFAAMO CC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)CC2)c(F)c1 ZINC000012587111 556084002 /nfs/dbraw/zinc/08/40/02/556084002.db2.gz WHGSEKUQLVAHRS-UHFFFAOYSA-N 1 1 452.574 2.803 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000023730980 556085724 /nfs/dbraw/zinc/08/57/24/556085724.db2.gz CVZRUWRTZJYJFG-UHFFFAOYSA-N 1 1 456.008 2.546 50 0 JFAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015958666 556090347 /nfs/dbraw/zinc/09/03/47/556090347.db2.gz MDTOGXSDUDCCGZ-KHTISZTLSA-N 1 1 479.920 2.851 50 0 biogenic JFAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015958666 556090355 /nfs/dbraw/zinc/09/03/55/556090355.db2.gz MDTOGXSDUDCCGZ-KHTISZTLSA-N 1 1 479.920 2.851 50 0 biogenic JFAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015958891 556090635 /nfs/dbraw/zinc/09/06/35/556090635.db2.gz IPEIOLOHOWPCEO-PNOLHXSVSA-N 1 1 461.518 2.697 50 0 biogenic JFAAMO O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023872950 556095819 /nfs/dbraw/zinc/09/58/19/556095819.db2.gz JDOCUQWVMZHRNT-GOSISDBHSA-N 1 1 456.543 2.587 50 0 JFAAMO CCC(CC)[C@H](CNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)[NH+]1CCOCC1 ZINC000024050943 556118467 /nfs/dbraw/zinc/11/84/67/556118467.db2.gz OBSDILKHOXJXQN-INIZCTEOSA-N 1 1 470.496 2.557 50 0 JFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)CC1 ZINC000012908814 556128117 /nfs/dbraw/zinc/12/81/17/556128117.db2.gz DRFSLXFCOTZCFR-UHFFFAOYSA-N 1 1 451.596 2.559 50 0 JFAAMO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000016589468 556145582 /nfs/dbraw/zinc/14/55/82/556145582.db2.gz VARBLIUPRRBEMJ-UHFFFAOYSA-N 1 1 451.976 2.740 50 0 JFAAMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000016589468 556145586 /nfs/dbraw/zinc/14/55/86/556145586.db2.gz VARBLIUPRRBEMJ-UHFFFAOYSA-N 1 1 451.976 2.740 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000024954930 556165001 /nfs/dbraw/zinc/16/50/01/556165001.db2.gz LZRHMLUVRIQNOA-UHFFFAOYSA-N 1 1 486.638 2.557 50 0 JFAAMO C[NH+](C)[C@H](CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1Cl ZINC000012997110 556189689 /nfs/dbraw/zinc/18/96/89/556189689.db2.gz YJIPXZNHLXYSCU-HXUWFJFHSA-N 1 1 475.014 2.920 50 0 JFAAMO CC(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)[NH+]1CCOCC1 ZINC000012998717 556191223 /nfs/dbraw/zinc/19/12/23/556191223.db2.gz YFZOOKPYSNZMNY-FQEVSTJZSA-N 1 1 466.420 2.774 50 0 JFAAMO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000018039479 556279104 /nfs/dbraw/zinc/27/91/04/556279104.db2.gz NPPONKHEHCSPER-AMGIVPHBSA-N 1 1 490.560 2.526 50 0 JFAAMO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000018039479 556279108 /nfs/dbraw/zinc/27/91/08/556279108.db2.gz NPPONKHEHCSPER-AMGIVPHBSA-N 1 1 490.560 2.526 50 0 JFAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000029152886 556348118 /nfs/dbraw/zinc/34/81/18/556348118.db2.gz MTXDKXCBHLSILT-HXUWFJFHSA-N 1 1 475.611 2.662 50 0 JFAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000029152886 556348120 /nfs/dbraw/zinc/34/81/20/556348120.db2.gz MTXDKXCBHLSILT-HXUWFJFHSA-N 1 1 475.611 2.662 50 0 JFAAMO CC(C)c1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000019703217 556360598 /nfs/dbraw/zinc/36/05/98/556360598.db2.gz PLMGNFGJYYANFF-IRLDBZIGSA-N 1 1 490.604 2.670 50 0 biogenic JFAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1C ZINC000019740368 556364035 /nfs/dbraw/zinc/36/40/35/556364035.db2.gz RFORGWZYTKTTPJ-UHFFFAOYSA-N 1 1 463.582 2.700 50 0 JFAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000019782413 556369596 /nfs/dbraw/zinc/36/95/96/556369596.db2.gz KGLBLLLQWKVAOO-IBGZPJMESA-N 1 1 475.330 2.741 50 0 JFAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019810113 556380911 /nfs/dbraw/zinc/38/09/11/556380911.db2.gz MOCMBSJDHVHFOB-UHFFFAOYSA-N 1 1 466.401 2.560 50 0 JFAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000019813177 556382549 /nfs/dbraw/zinc/38/25/49/556382549.db2.gz JGRACBRETCYGFY-UHFFFAOYSA-N 1 1 463.625 2.777 50 0 JFAAMO C[NH+]1CCN(CCCCNC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000031151863 556392500 /nfs/dbraw/zinc/39/25/00/556392500.db2.gz CXAUBCZLGSOUHN-UHFFFAOYSA-N 1 1 462.948 2.613 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032429982 556435328 /nfs/dbraw/zinc/43/53/28/556435328.db2.gz JTYGQIOHBQAYGB-GBESFXJTSA-N 1 1 475.611 2.748 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032429982 556435332 /nfs/dbraw/zinc/43/53/32/556435332.db2.gz JTYGQIOHBQAYGB-GBESFXJTSA-N 1 1 475.611 2.748 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)CC1 ZINC000032860318 556514720 /nfs/dbraw/zinc/51/47/20/556514720.db2.gz JTZLQVCTUNMWNF-SFHVURJKSA-N 1 1 457.596 2.961 50 0 JFAAMO Cc1cnc2c(cccc2S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)c1 ZINC000032895530 556525412 /nfs/dbraw/zinc/52/54/12/556525412.db2.gz CIAOGXLYLAWUAS-FQEVSTJZSA-N 1 1 470.595 2.956 50 0 JFAAMO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000032931445 556546406 /nfs/dbraw/zinc/54/64/06/556546406.db2.gz IBLNARIJEJOYDV-MAUKXSAKSA-N 1 1 460.438 2.743 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000049686770 563203174 /nfs/dbraw/zinc/20/31/74/563203174.db2.gz NRXWGMOHUSCFRG-VDLCSRDCSA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000049686770 563203175 /nfs/dbraw/zinc/20/31/75/563203175.db2.gz NRXWGMOHUSCFRG-VDLCSRDCSA-N 1 1 479.558 2.891 50 0 JFAAMO COc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(C)c1C ZINC000055036931 569590518 /nfs/dbraw/zinc/59/05/18/569590518.db2.gz PZPSADLSECWZIQ-YADHBBJMSA-N 1 1 452.534 2.612 50 0 JFAAMO COc1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(C)c1C ZINC000055036931 569590519 /nfs/dbraw/zinc/59/05/19/569590519.db2.gz PZPSADLSECWZIQ-YADHBBJMSA-N 1 1 452.534 2.612 50 0 JFAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CC[NH+](Cc4ccccc4)CC3)=C2C(=O)OC)cc1 ZINC000057415364 569600848 /nfs/dbraw/zinc/60/08/48/569600848.db2.gz BNFAZXUXJUKWGC-DEOSSOPVSA-N 1 1 464.566 2.684 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cccc(CC)c3NC2=O)cc1 ZINC000059485600 569605275 /nfs/dbraw/zinc/60/52/75/569605275.db2.gz DWZCDFFQIFCPHF-ZZWZOVRCSA-N 1 1 473.529 2.857 50 0 biogenic JFAAMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000060162232 569608528 /nfs/dbraw/zinc/60/85/28/569608528.db2.gz NOWQVHFJOCZEKT-PKTZIBPZSA-N 1 1 471.623 2.928 50 0 JFAAMO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000060341408 569608776 /nfs/dbraw/zinc/60/87/76/569608776.db2.gz AGDWHEYXCBTBDZ-OAQYLSRUSA-N 1 1 475.597 2.774 50 0 JFAAMO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000060341407 569608843 /nfs/dbraw/zinc/60/88/43/569608843.db2.gz AGDWHEYXCBTBDZ-NRFANRHFSA-N 1 1 475.597 2.774 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580423 569611748 /nfs/dbraw/zinc/61/17/48/569611748.db2.gz AKPZRJVBLJKEAG-MOPGFXCFSA-N 1 1 466.604 2.527 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580423 569611749 /nfs/dbraw/zinc/61/17/49/569611749.db2.gz AKPZRJVBLJKEAG-MOPGFXCFSA-N 1 1 466.604 2.527 50 0 JFAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613439 569612983 /nfs/dbraw/zinc/61/29/83/569612983.db2.gz CENZDJFXGCBZDC-IRXDYDNUSA-N 1 1 487.066 2.936 50 0 JFAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000063513796 569615351 /nfs/dbraw/zinc/61/53/51/569615351.db2.gz HICMQLSZYLGKTI-UHFFFAOYSA-N 1 1 493.011 2.788 50 0 JFAAMO O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000063563340 569615519 /nfs/dbraw/zinc/61/55/19/569615519.db2.gz RLXMTNOLDOORDP-UHFFFAOYSA-N 1 1 482.606 2.559 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)[NH2+][C@]12c1cc(Cl)cc(C)c1NC2=O ZINC000064197724 569616383 /nfs/dbraw/zinc/61/63/83/569616383.db2.gz BRWUYCPEJAIJGQ-QOAZOABKSA-N 1 1 477.348 2.950 50 0 JFAAMO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)s2)cc1 ZINC000033024542 569620021 /nfs/dbraw/zinc/62/00/21/569620021.db2.gz YNPKSEXXOWNIES-GOSISDBHSA-N 1 1 498.653 2.942 50 0 JFAAMO COc1cc(OC)c(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1Cl ZINC000033326807 569623886 /nfs/dbraw/zinc/62/38/86/569623886.db2.gz ALPLEOZZOCTKLI-UHFFFAOYSA-N 1 1 476.965 2.646 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(Br)cc32)CC1 ZINC000033332048 569624644 /nfs/dbraw/zinc/62/46/44/569624644.db2.gz OCDXLSIIZBMYTN-UHFFFAOYSA-N 1 1 488.430 2.551 50 0 JFAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677244 569641784 /nfs/dbraw/zinc/64/17/84/569641784.db2.gz DOXNEWBWKWUHGJ-OAQYLSRUSA-N 1 1 456.587 2.709 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314159 569672299 /nfs/dbraw/zinc/67/22/99/569672299.db2.gz XDZWGIRTCXLAPD-VWLOTQADSA-N 1 1 471.605 2.683 50 0 JFAAMO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](CCOC)CC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000034927972 569673311 /nfs/dbraw/zinc/67/33/11/569673311.db2.gz HTOMJZSSFUKKPN-RPBOFIJWSA-N 1 1 479.577 2.897 50 0 JFAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000035343782 569681451 /nfs/dbraw/zinc/68/14/51/569681451.db2.gz RTIMGHDUUSTMFA-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(OC)c1 ZINC000035343782 569681452 /nfs/dbraw/zinc/68/14/52/569681452.db2.gz RTIMGHDUUSTMFA-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287119 569684305 /nfs/dbraw/zinc/68/43/05/569684305.db2.gz BCDGRQFGSXUQIQ-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000067287486 569684488 /nfs/dbraw/zinc/68/44/88/569684488.db2.gz LNPVGFNDIDXQGQ-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO COc1cccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)c1 ZINC000067317668 569686840 /nfs/dbraw/zinc/68/68/40/569686840.db2.gz OFUYAICYUQMDIP-UHFFFAOYSA-N 1 1 478.471 2.984 50 0 JFAAMO O=C(CN1C(=O)CSc2ccc(C(=O)N3CCCC3)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035402609 569691224 /nfs/dbraw/zinc/69/12/24/569691224.db2.gz JYEGEGNELVMGHQ-UHFFFAOYSA-N 1 1 478.618 2.706 50 0 JFAAMO C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000069926264 569693899 /nfs/dbraw/zinc/69/38/99/569693899.db2.gz LQSYETGWEYBFAU-MBSDFSHPSA-N 1 1 477.392 2.944 50 0 JFAAMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000070010515 569694782 /nfs/dbraw/zinc/69/47/82/569694782.db2.gz DNQIIJVSYFMSSO-UHFFFAOYSA-N 1 1 457.596 2.670 50 0 JFAAMO O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035429400 569694977 /nfs/dbraw/zinc/69/49/77/569694977.db2.gz SKZCZJSUNQBGON-XMMPIXPASA-N 1 1 462.575 2.650 50 0 JFAAMO CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000035559587 569703818 /nfs/dbraw/zinc/70/38/18/569703818.db2.gz NHCTVUSQJOADRZ-DEOSSOPVSA-N 1 1 498.649 2.877 50 0 JFAAMO COc1cc2c3cnn(CN4CC[NH+](CCOc5ccccc5)CC4)c(=O)c3n(C)c2cc1OC ZINC000079475569 569707456 /nfs/dbraw/zinc/70/74/56/569707456.db2.gz RQKXQVZQGQPACF-UHFFFAOYSA-N 1 1 477.565 2.560 50 0 JFAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@@H](C)O1 ZINC000084706375 569709514 /nfs/dbraw/zinc/70/95/14/569709514.db2.gz ZCBGBFVWZBPKDS-IHZIKPMLSA-N 1 1 460.644 2.638 50 0 JFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@H](C)O1 ZINC000084706366 569709591 /nfs/dbraw/zinc/70/95/91/569709591.db2.gz ZCBGBFVWZBPKDS-ILNIPMIGSA-N 1 1 460.644 2.638 50 0 JFAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C[C@H](C)O1 ZINC000084706366 569709592 /nfs/dbraw/zinc/70/95/92/569709592.db2.gz ZCBGBFVWZBPKDS-ILNIPMIGSA-N 1 1 460.644 2.638 50 0 JFAAMO O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908064 569723887 /nfs/dbraw/zinc/72/38/87/569723887.db2.gz HHKVYXMKMZHDRG-FYYLOGMGSA-N 1 1 480.575 2.759 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000035911165 569726303 /nfs/dbraw/zinc/72/63/03/569726303.db2.gz YJXFDAMRGLKXTO-BDYUSTAISA-N 1 1 478.637 2.710 50 0 JFAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCCN1CCOCC1)C2 ZINC000035911153 569726373 /nfs/dbraw/zinc/72/63/73/569726373.db2.gz ZSHBRYUNOYOXHG-XNMGPUDCSA-N 1 1 496.627 2.536 50 0 JFAAMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000095544237 569726683 /nfs/dbraw/zinc/72/66/83/569726683.db2.gz BCSQWBDVLIHPCQ-QFIPXVFZSA-N 1 1 473.573 2.802 50 0 JFAAMO C[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698508 569728623 /nfs/dbraw/zinc/72/86/23/569728623.db2.gz IINYQWGVMANIJV-INIZCTEOSA-N 1 1 452.024 2.866 50 0 JFAAMO O=c1cc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCC[N@H+](Cc3cccs3)CC2)[nH]1 ZINC000035926920 569730062 /nfs/dbraw/zinc/73/00/62/569730062.db2.gz NFNZQPAQCJWXCI-UHFFFAOYSA-N 1 1 478.666 2.862 50 0 JFAAMO O=c1cc(CN2CCN(Cc3ccccc3)CC2)nc(N2CCC[N@@H+](Cc3cccs3)CC2)[nH]1 ZINC000035926920 569730064 /nfs/dbraw/zinc/73/00/64/569730064.db2.gz NFNZQPAQCJWXCI-UHFFFAOYSA-N 1 1 478.666 2.862 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1cccnc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793194 569743029 /nfs/dbraw/zinc/74/30/29/569743029.db2.gz PJCHIHFCTMDRSC-GBXCKJPGSA-N 1 1 477.634 2.823 50 0 JFAAMO COC(=O)c1sc2nc(C[N@H+](C[C@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c2c1C ZINC000036206942 569757058 /nfs/dbraw/zinc/75/70/58/569757058.db2.gz LSBYFLITAQCSOE-KRWDZBQOSA-N 1 1 459.568 2.868 50 0 JFAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c2c1C ZINC000036206942 569757059 /nfs/dbraw/zinc/75/70/59/569757059.db2.gz LSBYFLITAQCSOE-KRWDZBQOSA-N 1 1 459.568 2.868 50 0 JFAAMO CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000036250348 569758389 /nfs/dbraw/zinc/75/83/89/569758389.db2.gz XLYUSIHGVSMUPL-JOCHJYFZSA-N 1 1 494.558 2.713 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036342229 569765530 /nfs/dbraw/zinc/76/55/30/569765530.db2.gz MVQXCVLKHPVGNC-HSZRJFAPSA-N 1 1 464.566 2.887 50 0 JFAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc4c(c3)OCO4)C2)c(C)c1 ZINC000036343069 569766141 /nfs/dbraw/zinc/76/61/41/569766141.db2.gz IKPGDIJDKURKLQ-QFIPXVFZSA-N 1 1 462.550 2.907 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)c4ccccc4C)CCO3)CC2)cc1OC ZINC000037610353 569799254 /nfs/dbraw/zinc/79/92/54/569799254.db2.gz NYTKXZVIOVIMRK-QFIPXVFZSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)c4ccccc4C)CCO3)CC2)cc1OC ZINC000037610353 569799255 /nfs/dbraw/zinc/79/92/55/569799255.db2.gz NYTKXZVIOVIMRK-QFIPXVFZSA-N 1 1 481.593 2.701 50 0 JFAAMO COCCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000039364696 569809527 /nfs/dbraw/zinc/80/95/27/569809527.db2.gz CNKQTQPWBSWLCF-NEKDWFFYSA-N 1 1 493.604 2.634 50 0 JFAAMO COCCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000039364696 569809528 /nfs/dbraw/zinc/80/95/28/569809528.db2.gz CNKQTQPWBSWLCF-NEKDWFFYSA-N 1 1 493.604 2.634 50 0 JFAAMO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@@H+](C)Cc3ccccc3)cc21 ZINC000040450185 569828163 /nfs/dbraw/zinc/82/81/63/569828163.db2.gz VIMJSTCSUTZJTK-UHFFFAOYSA-N 1 1 466.401 2.768 50 0 JFAAMO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@H+](C)Cc3ccccc3)cc21 ZINC000040450185 569828165 /nfs/dbraw/zinc/82/81/65/569828165.db2.gz VIMJSTCSUTZJTK-UHFFFAOYSA-N 1 1 466.401 2.768 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450546 569828695 /nfs/dbraw/zinc/82/86/95/569828695.db2.gz AGDGOXIGKRQDMW-AWEZNQCLSA-N 1 1 470.433 2.901 50 0 JFAAMO CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050949 569832316 /nfs/dbraw/zinc/83/23/16/569832316.db2.gz XTCKXSCHWNPRQK-QFIPXVFZSA-N 1 1 470.595 2.997 50 0 JFAAMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2OC)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050951 569832337 /nfs/dbraw/zinc/83/23/37/569832337.db2.gz XTCKXSCHWNPRQK-JOCHJYFZSA-N 1 1 470.595 2.997 50 0 JFAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050767 569832360 /nfs/dbraw/zinc/83/23/60/569832360.db2.gz BUNNSOCGHJBNJX-JOCHJYFZSA-N 1 1 470.595 2.997 50 0 JFAAMO COc1ccc(C[C@H]([NH2+]Cc2nc3ccccc3c(=O)n2CC(N)=O)c2ccc(OC)cc2)cc1 ZINC000049597299 569849607 /nfs/dbraw/zinc/84/96/07/569849607.db2.gz FNLQURBLTCKJFH-DEOSSOPVSA-N 1 1 472.545 2.973 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000106615795 569854410 /nfs/dbraw/zinc/85/44/10/569854410.db2.gz CQYYRDHSQVXCHO-UTKZUKDTSA-N 1 1 459.543 2.532 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169679250 569869609 /nfs/dbraw/zinc/86/96/09/569869609.db2.gz AEKCGJRKXBOZGA-DENIHFKCSA-N 1 1 462.612 2.517 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169679250 569869610 /nfs/dbraw/zinc/86/96/10/569869610.db2.gz AEKCGJRKXBOZGA-DENIHFKCSA-N 1 1 462.612 2.517 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000169679409 569869724 /nfs/dbraw/zinc/86/97/24/569869724.db2.gz YJXFDAMRGLKXTO-AHKZPQOWSA-N 1 1 478.637 2.710 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230067032 570044284 /nfs/dbraw/zinc/04/42/84/570044284.db2.gz FMGVVSBXTFKUNG-YDLHNXBPSA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000230067032 570044285 /nfs/dbraw/zinc/04/42/85/570044285.db2.gz FMGVVSBXTFKUNG-YDLHNXBPSA-N 1 1 465.893 2.697 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000245342977 570067121 /nfs/dbraw/zinc/06/71/21/570067121.db2.gz AQEKSTLGBKNJNN-GXRSIYKFSA-N 1 1 456.697 2.692 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247860103 570070218 /nfs/dbraw/zinc/07/02/18/570070218.db2.gz ZSSMDIFBPOICDY-ZCGKIOINSA-N 1 1 479.920 2.851 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000247860103 570070219 /nfs/dbraw/zinc/07/02/19/570070219.db2.gz ZSSMDIFBPOICDY-ZCGKIOINSA-N 1 1 479.920 2.851 50 0 JFAAMO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000248154869 570075698 /nfs/dbraw/zinc/07/56/98/570075698.db2.gz IBLNARIJEJOYDV-QAPCUYQASA-N 1 1 460.438 2.743 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000248240743 570076605 /nfs/dbraw/zinc/07/66/05/570076605.db2.gz OHOFGOANDVJBSY-UDLDYJPUSA-N 1 1 471.916 2.732 50 0 JFAAMO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252548516 570083325 /nfs/dbraw/zinc/08/33/25/570083325.db2.gz PZDJQUNSZMDEKQ-COPCDDAFSA-N 1 1 451.571 2.606 50 0 JFAAMO COc1ccc([C@H]2[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397631 570096138 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COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263586137 570171620 /nfs/dbraw/zinc/17/16/20/570171620.db2.gz QOEFAUQEHOMKAN-FDHFVPJWSA-N 1 1 457.615 2.954 50 0 biogenic JFAAMO O=C(c1cn2ccccc2n1)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299756535 570174232 /nfs/dbraw/zinc/17/42/32/570174232.db2.gz DLZKEEVSCOVSRW-JOCHJYFZSA-N 1 1 457.578 2.921 50 0 JFAAMO CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761943 570174752 /nfs/dbraw/zinc/17/47/52/570174752.db2.gz CEOAZTLXFCEMBS-NSOVKSMOSA-N 1 1 474.605 2.921 50 0 JFAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@H+](CC)C2 ZINC000003007026 194202147 /nfs/dbraw/zinc/20/21/47/194202147.db2.gz WGYVDWPXAHJYBZ-UHFFFAOYSA-N 1 1 465.597 2.805 50 0 JFAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CC[N@@H+](CC)C2 ZINC000003007026 194202150 /nfs/dbraw/zinc/20/21/50/194202150.db2.gz WGYVDWPXAHJYBZ-UHFFFAOYSA-N 1 1 465.597 2.805 50 0 JFAAMO Cc1ccc(-n2c(SCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nnc2N2CCOCC2)cc1 ZINC000012633867 195065575 /nfs/dbraw/zinc/06/55/75/195065575.db2.gz KGWDKTXHJXNONW-JOCHJYFZSA-N 1 1 492.649 2.895 50 0 JFAAMO Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012752199 195106701 /nfs/dbraw/zinc/10/67/01/195106701.db2.gz WMVYZUUKFRTOPE-UHFFFAOYSA-N 1 1 455.340 2.873 50 0 JFAAMO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012753989 195107624 /nfs/dbraw/zinc/10/76/24/195107624.db2.gz RBSPNLTVOWSCBG-UHFFFAOYSA-N 1 1 481.618 2.503 50 0 JFAAMO Cc1cc(C)cc(OCC[N@@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000012754136 195107495 /nfs/dbraw/zinc/10/74/95/195107495.db2.gz UQIVDXHJTYQYHQ-UHFFFAOYSA-N 1 1 459.612 2.844 50 0 JFAAMO Cc1cc(C)cc(OCC[N@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000012754136 195107496 /nfs/dbraw/zinc/10/74/96/195107496.db2.gz UQIVDXHJTYQYHQ-UHFFFAOYSA-N 1 1 459.612 2.844 50 0 JFAAMO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000012753989 195107627 /nfs/dbraw/zinc/10/76/27/195107627.db2.gz RBSPNLTVOWSCBG-UHFFFAOYSA-N 1 1 481.618 2.503 50 0 JFAAMO CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+]1CCCCCCC1 ZINC000012777004 195121763 /nfs/dbraw/zinc/12/17/63/195121763.db2.gz SPXKRJBBAMHUNF-UHFFFAOYSA-N 1 1 453.605 2.699 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000012796590 195136483 /nfs/dbraw/zinc/13/64/83/195136483.db2.gz NDKYACDZHPNALZ-UHFFFAOYSA-N 1 1 456.395 2.958 50 0 JFAAMO CSCC[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012844736 195151687 /nfs/dbraw/zinc/15/16/87/195151687.db2.gz CSNQRORZZPTFOJ-HXUWFJFHSA-N 1 1 459.612 2.556 50 0 JFAAMO O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012853746 195156131 /nfs/dbraw/zinc/15/61/31/195156131.db2.gz JWLFQLYJUHROJX-UHFFFAOYSA-N 1 1 456.612 2.975 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000012886978 195170969 /nfs/dbraw/zinc/17/09/69/195170969.db2.gz PSSIRJPJZREOFQ-UHFFFAOYSA-N 1 1 482.002 2.626 50 0 JFAAMO COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)CC(=O)N12 ZINC000020610246 195183255 /nfs/dbraw/zinc/18/32/55/195183255.db2.gz FYZNTOAVNPXFCM-WNCULLNHSA-N 1 1 488.588 2.584 50 0 biogenic JFAAMO CC(C)c1ccc(S(=O)(=O)NC(=N)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020857154 195231899 /nfs/dbraw/zinc/23/18/99/195231899.db2.gz IRLFFEAUYOGVBK-UHFFFAOYSA-N 1 1 461.607 2.964 50 0 JFAAMO COC(=O)c1c(OCCc2ccccn2)cc(=O)n2c1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000020781461 195224582 /nfs/dbraw/zinc/22/45/82/195224582.db2.gz GMTQJDGOYGIIQS-UHFFFAOYSA-N 1 1 475.545 2.645 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc4cccnc4c2)CC3)cc1 ZINC000020785776 195225376 /nfs/dbraw/zinc/22/53/76/195225376.db2.gz SLIXUDPMPBUSOO-UHFFFAOYSA-N 1 1 456.550 2.866 50 0 JFAAMO O=S(=O)(NCc1nnc2n1CC[N@@H+](Cc1ccccc1C(F)(F)F)CC2)c1ccccc1 ZINC000020919944 195247361 /nfs/dbraw/zinc/24/73/61/195247361.db2.gz UYDULSNUBIBHBT-UHFFFAOYSA-N 1 1 465.501 2.834 50 0 JFAAMO O=S(=O)(NCc1nnc2n1CC[N@H+](Cc1ccccc1C(F)(F)F)CC2)c1ccccc1 ZINC000020919944 195247364 /nfs/dbraw/zinc/24/73/64/195247364.db2.gz UYDULSNUBIBHBT-UHFFFAOYSA-N 1 1 465.501 2.834 50 0 JFAAMO COc1ccc(-c2cn3nc(N4CCC(C(=O)NCCC[NH+]5CCOCC5)CC4)sc3n2)cc1 ZINC000020926173 195249335 /nfs/dbraw/zinc/24/93/35/195249335.db2.gz VDUZWHNSLPZBHN-UHFFFAOYSA-N 1 1 484.626 2.521 50 0 JFAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000020935077 195252538 /nfs/dbraw/zinc/25/25/38/195252538.db2.gz WYFTWDVXNXSLBN-UHFFFAOYSA-N 1 1 496.633 2.991 50 0 JFAAMO O=C(CNS(=O)(=O)c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021111658 195277647 /nfs/dbraw/zinc/27/76/47/195277647.db2.gz IGLJIGMYRGAMEO-UHFFFAOYSA-N 1 1 455.605 2.960 50 0 JFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[nH+]1 ZINC000021794670 195321945 /nfs/dbraw/zinc/32/19/45/195321945.db2.gz LUNGYTYBPBTABI-UHFFFAOYSA-N 1 1 466.405 2.659 50 0 JFAAMO CC[N@@H+](CCCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O)Cc1ccccc1 ZINC000021807956 195323968 /nfs/dbraw/zinc/32/39/68/195323968.db2.gz GYUJMZOUWCXXBV-UHFFFAOYSA-N 1 1 488.592 2.903 50 0 JFAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000021927216 195334716 /nfs/dbraw/zinc/33/47/16/195334716.db2.gz KOEFJEYGYOXIRW-LJQANCHMSA-N 1 1 456.616 2.662 50 0 JFAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000021927209 195334726 /nfs/dbraw/zinc/33/47/26/195334726.db2.gz KOEFJEYGYOXIRW-IBGZPJMESA-N 1 1 456.616 2.662 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478332 195343590 /nfs/dbraw/zinc/34/35/90/195343590.db2.gz QWCILOHRBPUKTQ-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H]4CCC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC000057992518 195361245 /nfs/dbraw/zinc/36/12/45/195361245.db2.gz YTTHKYZQONEUTJ-QHCPKHFHSA-N 1 1 460.582 2.996 50 0 JFAAMO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCC[NH+]1CCN(c3cc(Cl)ccc3C)CC1)O2 ZINC000058065004 195363989 /nfs/dbraw/zinc/36/39/89/195363989.db2.gz HUUSBLFHDSPSPB-QFIPXVFZSA-N 1 1 456.974 2.985 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000058159494 195368326 /nfs/dbraw/zinc/36/83/26/195368326.db2.gz HLPMHYUGSMHSSS-LAUBAEHRSA-N 1 1 460.600 2.644 50 0 JFAAMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000059286675 195396758 /nfs/dbraw/zinc/39/67/58/195396758.db2.gz UWFHXOULNMTFNQ-BGYRXZFFSA-N 1 1 481.641 2.642 50 0 JFAAMO CC(C)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[NH+]1CCOCC1 ZINC000022611775 519347440 /nfs/dbraw/zinc/34/74/40/519347440.db2.gz ZLGPONHUFMOOIU-XMMPIXPASA-N 1 1 491.698 2.829 50 0 JFAAMO CCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(c3cccc(C)[nH+]3)CC2)c1=O ZINC000012454147 519900851 /nfs/dbraw/zinc/90/08/51/519900851.db2.gz YWYIUGCRCRXTDV-UHFFFAOYSA-N 1 1 465.598 2.844 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309448 520091926 /nfs/dbraw/zinc/09/19/26/520091926.db2.gz JHKWTXWPOFLJGY-REWPJTCUSA-N 1 1 476.639 2.907 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309448 520091933 /nfs/dbraw/zinc/09/19/33/520091933.db2.gz JHKWTXWPOFLJGY-REWPJTCUSA-N 1 1 476.639 2.907 50 0 JFAAMO CC1(C)CC(=O)c2cnc3c(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cnn3c2C1 ZINC000064987482 520277901 /nfs/dbraw/zinc/27/79/01/520277901.db2.gz UECSDWJYBSETFM-UHFFFAOYSA-N 1 1 474.609 2.822 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)ccc1OC ZINC000020452893 520701050 /nfs/dbraw/zinc/70/10/50/520701050.db2.gz ZVQUUQSSJSNPHD-LJQANCHMSA-N 1 1 459.591 2.594 50 0 JFAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCCO1 ZINC000036245901 520937980 /nfs/dbraw/zinc/93/79/80/520937980.db2.gz SITHYZYGBPWPBT-DHIUTWEWSA-N 1 1 472.630 2.862 50 0 JFAAMO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)CN3Cc4ccc(OC)cc4O[C@H](C)C3)CC2)C1 ZINC000012218572 521113309 /nfs/dbraw/zinc/11/33/09/521113309.db2.gz VKLYJLZPMSJQKT-TZIWHRDSSA-N 1 1 473.614 2.544 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C(=O)Cc1ccc(Cl)cc1)CC2 ZINC000014755432 521656711 /nfs/dbraw/zinc/65/67/11/521656711.db2.gz CPLXMYPESVIJMR-FQEVSTJZSA-N 1 1 488.032 2.524 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000009833604 521670311 /nfs/dbraw/zinc/67/03/11/521670311.db2.gz RXXMTJHAVWFJTN-UHFFFAOYSA-N 1 1 466.401 2.705 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697628 522064142 /nfs/dbraw/zinc/06/41/42/522064142.db2.gz MOUYYPHDQWKPRC-RUZDIDTESA-N 1 1 464.566 2.824 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697608 522064248 /nfs/dbraw/zinc/06/42/48/522064248.db2.gz WUNNALZTAXSXFS-RUZDIDTESA-N 1 1 464.566 2.824 50 0 JFAAMO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697591 522064740 /nfs/dbraw/zinc/06/47/40/522064740.db2.gz CSFDABVKRNWYJW-VWLOTQADSA-N 1 1 464.566 2.824 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3c(c(C(=O)N4CCOCC4)nn3CCC(C)C)C2)cc2c1OCO2 ZINC000014744252 522398428 /nfs/dbraw/zinc/39/84/28/522398428.db2.gz PKDJDKSINWZRPN-UHFFFAOYSA-N 1 1 470.570 2.697 50 0 JFAAMO COc1cc(C[N@H+]2CCc3c(c(C(=O)N4CCOCC4)nn3CCC(C)C)C2)cc2c1OCO2 ZINC000014744252 522398438 /nfs/dbraw/zinc/39/84/38/522398438.db2.gz PKDJDKSINWZRPN-UHFFFAOYSA-N 1 1 470.570 2.697 50 0 JFAAMO CN(CCC[NH+]1CCOCC1)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000014988321 522752301 /nfs/dbraw/zinc/75/23/01/522752301.db2.gz RGGAFSMDTXSMIM-RUZDIDTESA-N 1 1 476.017 2.850 50 0 JFAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114237 523034200 /nfs/dbraw/zinc/03/42/00/523034200.db2.gz DPEFZHWJFLKLNV-DNQXCXABSA-N 1 1 485.556 2.592 50 0 JFAAMO CCn1c(=O)c(N2CCC(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)CC2)nc2cccnc21 ZINC000033258982 523101951 /nfs/dbraw/zinc/10/19/51/523101951.db2.gz RRPZAQBGXNXHMY-QFIPXVFZSA-N 1 1 488.636 2.975 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000035459651 523166566 /nfs/dbraw/zinc/16/65/66/523166566.db2.gz XPVTULHDTTYYEU-HXUWFJFHSA-N 1 1 454.637 2.853 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)COC ZINC000036309136 523237364 /nfs/dbraw/zinc/23/73/64/523237364.db2.gz WLLVRQINRMHFKD-REWPJTCUSA-N 1 1 476.639 2.907 50 0 JFAAMO CCn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000033259825 523285470 /nfs/dbraw/zinc/28/54/70/523285470.db2.gz UCZMBAJSZWXHGB-UHFFFAOYSA-N 1 1 483.613 2.976 50 0 JFAAMO COCCCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000014884665 523287343 /nfs/dbraw/zinc/28/73/43/523287343.db2.gz CNKQTQPWBSWLCF-LXFBAYGMSA-N 1 1 493.604 2.634 50 0 JFAAMO COCCCN1C(=O)C[C@@](CC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)(c2ccccc2OC)C1=O ZINC000014884665 523287351 /nfs/dbraw/zinc/28/73/51/523287351.db2.gz CNKQTQPWBSWLCF-LXFBAYGMSA-N 1 1 493.604 2.634 50 0 JFAAMO CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000020439203 523301784 /nfs/dbraw/zinc/30/17/84/523301784.db2.gz CARAKPSAYPAIMZ-FXBPSFAMSA-N 1 1 450.539 2.864 50 0 JFAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000014991458 523317375 /nfs/dbraw/zinc/31/73/75/523317375.db2.gz XYVRBXIAFKNGQA-HGJFNOKFSA-N 1 1 494.611 2.773 50 0 JFAAMO COCCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000022916865 523904506 /nfs/dbraw/zinc/90/45/06/523904506.db2.gz LJXPZISRVUAIMQ-UHFFFAOYSA-N 1 1 450.992 2.658 50 0 JFAAMO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N23)c1 ZINC000020411707 524136015 /nfs/dbraw/zinc/13/60/15/524136015.db2.gz UVPVHIDAUUAGPM-RPLLCQBOSA-N 1 1 488.588 2.584 50 0 biogenic JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1cccc(F)c1)CC2 ZINC000014955689 524482096 /nfs/dbraw/zinc/48/20/96/524482096.db2.gz WWBSCEILUYQOHH-UHFFFAOYSA-N 1 1 465.525 2.993 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000014955689 524482107 /nfs/dbraw/zinc/48/21/07/524482107.db2.gz WWBSCEILUYQOHH-UHFFFAOYSA-N 1 1 465.525 2.993 50 0 JFAAMO Cc1cccc(N2CC[N@@H+](CCCNC(=O)CCc3nc(C4=CCN(C)CC4)no3)C[C@@H]2C)c1 ZINC000033069177 524554748 /nfs/dbraw/zinc/55/47/48/524554748.db2.gz RMWOKIFJYZEFGJ-NRFANRHFSA-N 1 1 466.630 2.747 50 0 JFAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCc3nc(C4=CCN(C)CC4)no3)C[C@@H]2C)c1 ZINC000033069177 524554754 /nfs/dbraw/zinc/55/47/54/524554754.db2.gz RMWOKIFJYZEFGJ-NRFANRHFSA-N 1 1 466.630 2.747 50 0 JFAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(NC(=O)CSc3nccn3C)cc2)C[C@H](C)O1 ZINC000023181803 524555578 /nfs/dbraw/zinc/55/55/78/524555578.db2.gz XSLBRCPDKCBVSD-IRXDYDNUSA-N 1 1 459.616 2.769 50 0 JFAAMO COc1ccc(OC)c([C@H]2CN(C(=O)c3cccc(Cl)c3)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059602 524916914 /nfs/dbraw/zinc/91/69/14/524916914.db2.gz GNRIQUREYJQZEP-YADHBBJMSA-N 1 1 471.985 2.987 50 0 JFAAMO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275049 525051678 /nfs/dbraw/zinc/05/16/78/525051678.db2.gz WRZHXIVZIFTESL-UHFFFAOYSA-N 1 1 493.631 2.814 50 0 JFAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000014992923 525093995 /nfs/dbraw/zinc/09/39/95/525093995.db2.gz MURHPCRLKJEZKO-HXUWFJFHSA-N 1 1 463.582 2.518 50 0 JFAAMO Cc1ccccc1Cn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c21 ZINC000020415773 525209902 /nfs/dbraw/zinc/20/99/02/525209902.db2.gz IKKRLORZFQBHMU-UHFFFAOYSA-N 1 1 473.577 2.546 50 0 JFAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCCN3CCOCC3)C[N@@H+](Cc3ccccc3)C2)cn1 ZINC000014750794 525440049 /nfs/dbraw/zinc/44/00/49/525440049.db2.gz MRXAPZXFMSVRIJ-LOSJGSFVSA-N 1 1 466.626 2.746 50 0 JFAAMO Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)CC(=O)N21 ZINC000020412799 525448882 /nfs/dbraw/zinc/44/88/82/525448882.db2.gz LWVLINXAHYKYJG-IGKIAQTJSA-N 1 1 472.589 2.884 50 0 biogenic JFAAMO Cc1ccc(-c2ccc(NCCC[NH+]3CCOCC3)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009271 525754417 /nfs/dbraw/zinc/75/44/17/525754417.db2.gz YHAFZISDPGCFRM-UHFFFAOYSA-N 1 1 459.616 2.761 50 0 JFAAMO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCCC[N@H+]1CCc3ccccc3C1)c2=O ZINC000064970761 525936241 /nfs/dbraw/zinc/93/62/41/525936241.db2.gz LFDHKJREGKYLCR-UHFFFAOYSA-N 1 1 470.577 2.764 50 0 JFAAMO Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N32)cc1 ZINC000020411531 526047708 /nfs/dbraw/zinc/04/77/08/526047708.db2.gz CRNYFUWRNUEGKU-IGKIAQTJSA-N 1 1 472.589 2.884 50 0 biogenic JFAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@H+](Cc2ccc(O)cc2)C3)c1 ZINC000014742182 526110600 /nfs/dbraw/zinc/11/06/00/526110600.db2.gz ITEUJDISBRIMMH-QFIPXVFZSA-N 1 1 476.577 2.801 50 0 JFAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CC[N@@H+](Cc2ccc(O)cc2)C3)c1 ZINC000014742182 526110609 /nfs/dbraw/zinc/11/06/09/526110609.db2.gz ITEUJDISBRIMMH-QFIPXVFZSA-N 1 1 476.577 2.801 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000033068600 526249198 /nfs/dbraw/zinc/24/91/98/526249198.db2.gz QBMYRBWMUCXFMR-SFHVURJKSA-N 1 1 468.985 2.856 50 0 JFAAMO O[C@H](COc1ccc(Cl)cc1)CN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000020064988 526289711 /nfs/dbraw/zinc/28/97/11/526289711.db2.gz NVORDKNEFAUQNW-PMACEKPBSA-N 1 1 455.382 2.791 50 0 JFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)[C@@H]1CCCO1 ZINC000014988135 526465534 /nfs/dbraw/zinc/46/55/34/526465534.db2.gz BEYLLMPSJNONTL-DEOSSOPVSA-N 1 1 457.578 2.745 50 0 JFAAMO O=C(c1ccc(Br)cc1)N(CCCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141015 526661414 /nfs/dbraw/zinc/66/14/14/526661414.db2.gz TYYNQFFTSROOPO-UHFFFAOYSA-N 1 1 494.455 2.759 50 0 JFAAMO O=C(CN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)N1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC000014994604 526822771 /nfs/dbraw/zinc/82/27/71/526822771.db2.gz UFNUYIPKNNARFQ-RUZDIDTESA-N 1 1 480.584 2.574 50 0 JFAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc2ccc(-c3ccccc3)nn21 ZINC000033282405 527667591 /nfs/dbraw/zinc/66/75/91/527667591.db2.gz CGSWHGWJAXQJJF-UHFFFAOYSA-N 1 1 459.529 2.873 50 0 JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101893 554042984 /nfs/dbraw/zinc/04/29/84/554042984.db2.gz DNCKYTOPUSDDTF-JKSUJKDBSA-N 1 1 464.522 2.573 50 0 biogenic JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101893 554042987 /nfs/dbraw/zinc/04/29/87/554042987.db2.gz DNCKYTOPUSDDTF-JKSUJKDBSA-N 1 1 464.522 2.573 50 0 biogenic JFAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008811295 554692353 /nfs/dbraw/zinc/69/23/53/554692353.db2.gz MTKUVGBNXFLAGW-UHFFFAOYSA-N 1 1 462.616 2.555 50 0 JFAAMO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000008867833 554761581 /nfs/dbraw/zinc/76/15/81/554761581.db2.gz MFOMDGQAIVKJQL-CTNGQTDRSA-N 1 1 450.568 2.906 50 0 JFAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2 ZINC000008932152 554826327 /nfs/dbraw/zinc/82/63/27/554826327.db2.gz NJOVNBSOIMLIGF-MJGOQNOKSA-N 1 1 464.551 2.626 50 0 JFAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008944186 554833069 /nfs/dbraw/zinc/83/30/69/554833069.db2.gz KSUWGHTXFKYVMY-NZQKXSOJSA-N 1 1 499.633 2.906 50 0 JFAAMO CCOC(=O)N[C@@](Nc1sc2c(c1C(=O)OC)CC[N@@H+](C)C2)(C(=O)OCC)C(F)(F)F ZINC000009348258 555114350 /nfs/dbraw/zinc/11/43/50/555114350.db2.gz ZJCTUFXGYWLEGX-KRWDZBQOSA-N 1 1 467.466 2.502 50 0 JFAAMO CCOC(=O)N[C@@](Nc1sc2c(c1C(=O)OC)CC[N@H+](C)C2)(C(=O)OCC)C(F)(F)F ZINC000009348258 555114351 /nfs/dbraw/zinc/11/43/51/555114351.db2.gz ZJCTUFXGYWLEGX-KRWDZBQOSA-N 1 1 467.466 2.502 50 0 JFAAMO O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009406258 555166271 /nfs/dbraw/zinc/16/62/71/555166271.db2.gz YMPPBEVACQFNAP-UHFFFAOYSA-N 1 1 479.531 2.861 50 0 JFAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009415691 555183253 /nfs/dbraw/zinc/18/32/53/555183253.db2.gz FKKKUQDEXRUGEV-OAHLLOKOSA-N 1 1 453.495 2.864 50 0 JFAAMO CC(C)[N@@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000009530041 555324666 /nfs/dbraw/zinc/32/46/66/555324666.db2.gz JOZMPOMLHIMARO-SFTDATJTSA-N 1 1 490.651 2.529 50 0 JFAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000009578868 555381333 /nfs/dbraw/zinc/38/13/33/555381333.db2.gz RLAYFQWKXOWSIX-QFIPXVFZSA-N 1 1 481.578 2.700 50 0 JFAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000009578868 555381338 /nfs/dbraw/zinc/38/13/38/555381338.db2.gz RLAYFQWKXOWSIX-QFIPXVFZSA-N 1 1 481.578 2.700 50 0 JFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000009580130 555385207 /nfs/dbraw/zinc/38/52/07/555385207.db2.gz IXLFCYJAWZAVLD-SFHVURJKSA-N 1 1 455.552 2.696 50 0 JFAAMO CCn1c(=O)cc(OCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000009694068 555424236 /nfs/dbraw/zinc/42/42/36/555424236.db2.gz ZVTATYRVGAYQSN-UHFFFAOYSA-N 1 1 466.557 2.868 50 0 JFAAMO Cn1c2nc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000009714439 555443531 /nfs/dbraw/zinc/44/35/31/555443531.db2.gz KPVGJEQREMCAMJ-YVMONPNESA-N 1 1 490.995 2.960 50 0 JFAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CC[NH+](CCO)CC3)cc21 ZINC000020031669 555606538 /nfs/dbraw/zinc/60/65/38/555606538.db2.gz GAOPGHYDLUUTBF-HSZRJFAPSA-N 1 1 495.620 2.774 50 0 JFAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC(F)F ZINC000010142426 555636774 /nfs/dbraw/zinc/63/67/74/555636774.db2.gz HGGMAHCDJFWBNZ-KRWDZBQOSA-N 1 1 497.564 2.650 50 0 JFAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC(F)F ZINC000010142426 555636778 /nfs/dbraw/zinc/63/67/78/555636778.db2.gz HGGMAHCDJFWBNZ-KRWDZBQOSA-N 1 1 497.564 2.650 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)CC1 ZINC000020108849 555643893 /nfs/dbraw/zinc/64/38/93/555643893.db2.gz UBTJKYGRVODZEU-FTJBHMTQSA-N 1 1 496.627 2.897 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)CC1 ZINC000020108847 555644075 /nfs/dbraw/zinc/64/40/75/555644075.db2.gz UBTJKYGRVODZEU-UIOOFZCWSA-N 1 1 496.627 2.897 50 0 JFAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116797 555654232 /nfs/dbraw/zinc/65/42/32/555654232.db2.gz NNQAZCLHPAGSRT-PXDATVDWSA-N 1 1 497.592 2.979 50 0 JFAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116795 555654244 /nfs/dbraw/zinc/65/42/44/555654244.db2.gz NNQAZCLHPAGSRT-OFVILXPXSA-N 1 1 497.592 2.979 50 0 JFAAMO O[C@@H](COc1ccccc1Cl)CN1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000020150293 555666638 /nfs/dbraw/zinc/66/66/38/555666638.db2.gz WFOUUWQZTHAZJG-QZTJIDSGSA-N 1 1 455.382 2.791 50 0 JFAAMO CCC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)CC1 ZINC000020153879 555673352 /nfs/dbraw/zinc/67/33/52/555673352.db2.gz UKRYIGDGTKSMFG-UHFFFAOYSA-N 1 1 483.730 2.999 50 0 JFAAMO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020180657 555686997 /nfs/dbraw/zinc/68/69/97/555686997.db2.gz RGEPVADMRRJLCQ-CJLVFECKSA-N 1 1 455.942 2.945 50 0 JFAAMO CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000020188678 555690526 /nfs/dbraw/zinc/69/05/26/555690526.db2.gz WUZOATOTTYDQPU-UHFFFAOYSA-N 1 1 464.522 2.830 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C2CCCC2)c(=O)[nH]c1=O ZINC000014246066 555748839 /nfs/dbraw/zinc/74/88/39/555748839.db2.gz SYYDTVSOBYATFE-XMMPIXPASA-N 1 1 497.640 2.640 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288326 555757392 /nfs/dbraw/zinc/75/73/92/555757392.db2.gz OPWPMHCKMWHFLV-CVDCTZTESA-N 1 1 463.607 2.828 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288315 555757475 /nfs/dbraw/zinc/75/74/75/555757475.db2.gz OPWPMHCKMWHFLV-AUSIDOKSSA-N 1 1 463.607 2.828 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1 ZINC000020531928 555799755 /nfs/dbraw/zinc/79/97/55/555799755.db2.gz KVHRGFXSTXMOPZ-UHFFFAOYSA-N 1 1 485.633 2.567 50 0 JFAAMO CCCc1cc(CN(C)C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CC[NH+](C)C)C2=O)n[nH]1 ZINC000011786363 555819621 /nfs/dbraw/zinc/81/96/21/555819621.db2.gz JUDANWGZQHOTJI-XMMPIXPASA-N 1 1 474.005 2.623 50 0 JFAAMO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1c(C)nn(C)c1Cl)CC2 ZINC000014536973 555826505 /nfs/dbraw/zinc/82/65/05/555826505.db2.gz VIEPQKKMPIPFHA-UHFFFAOYSA-N 1 1 486.016 2.795 50 0 JFAAMO Cc1ccc2[nH]c3c(cnn(CC(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000020574544 555829029 /nfs/dbraw/zinc/82/90/29/555829029.db2.gz IZOHYJDENOVMKJ-UHFFFAOYSA-N 1 1 472.593 2.510 50 0 JFAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCCN2CCOCC2)C1 ZINC000014540454 555830871 /nfs/dbraw/zinc/83/08/71/555830871.db2.gz KMCYXMPPNDNKLX-BJKOFHAPSA-N 1 1 470.658 2.546 50 0 JFAAMO COCCNC(=O)c1nn(CCC(C)C)c2c1C[N@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CC2 ZINC000014542026 555832718 /nfs/dbraw/zinc/83/27/18/555832718.db2.gz JHOZDHFTUVLUPG-UHFFFAOYSA-N 1 1 494.640 2.662 50 0 JFAAMO COCCNC(=O)c1nn(CCC(C)C)c2c1C[N@@H+](Cc1c(C)n(C)n(-c3ccccc3)c1=O)CC2 ZINC000014542026 555832722 /nfs/dbraw/zinc/83/27/22/555832722.db2.gz JHOZDHFTUVLUPG-UHFFFAOYSA-N 1 1 494.640 2.662 50 0 JFAAMO Cc1nc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795270 555856420 /nfs/dbraw/zinc/85/64/20/555856420.db2.gz CLDKKZXUDXOCEM-UHFFFAOYSA-N 1 1 450.465 2.995 50 0 JFAAMO Cc1nc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n(C[C@@H]2CCCO2)c1C ZINC000022092329 555873316 /nfs/dbraw/zinc/87/33/16/555873316.db2.gz KKAMELVQUOYYTI-FQEVSTJZSA-N 1 1 450.649 2.922 50 0 JFAAMO C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011973923 555875023 /nfs/dbraw/zinc/87/50/23/555875023.db2.gz SKSFETBFEHHLPF-CQSZACIVSA-N 1 1 455.465 2.834 50 0 JFAAMO O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000011998418 555881114 /nfs/dbraw/zinc/88/11/14/555881114.db2.gz QNRGKVINJNWZJB-FQEVSTJZSA-N 1 1 498.026 2.522 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c2ccccc12 ZINC000012029056 555886316 /nfs/dbraw/zinc/88/63/16/555886316.db2.gz PODXVBUZPVYOAW-JOCHJYFZSA-N 1 1 457.600 2.745 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc4cccc(OC)c4n2)CC3)cc1 ZINC000012135132 555913055 /nfs/dbraw/zinc/91/30/55/555913055.db2.gz KHWMZPIVOBPBBI-UHFFFAOYSA-N 1 1 486.576 2.874 50 0 JFAAMO Cn1c(SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000022358711 555925681 /nfs/dbraw/zinc/92/56/81/555925681.db2.gz PRWBXHMJMRYYND-QFIPXVFZSA-N 1 1 495.605 2.568 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c(OC)c1OC ZINC000012190990 555938249 /nfs/dbraw/zinc/93/82/49/555938249.db2.gz KIVOGMCUCYJSMN-UHFFFAOYSA-N 1 1 479.581 2.643 50 0 JFAAMO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1F ZINC000022909046 555966526 /nfs/dbraw/zinc/96/65/26/555966526.db2.gz KSFAWXFNWOXNAK-UHFFFAOYSA-N 1 1 460.575 2.633 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1cccc(F)c1 ZINC000022909263 555967243 /nfs/dbraw/zinc/96/72/43/555967243.db2.gz NXMNXNJDUVNBTO-UHFFFAOYSA-N 1 1 460.575 2.714 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc(F)cc2)CC1 ZINC000012528506 555996952 /nfs/dbraw/zinc/99/69/52/555996952.db2.gz DKDMSSOJLSBJML-UHFFFAOYSA-N 1 1 490.601 2.770 50 0 JFAAMO C[N@@H+](CCCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000015786793 556006450 /nfs/dbraw/zinc/00/64/50/556006450.db2.gz LSSWRZWGBFIGMR-UHFFFAOYSA-N 1 1 462.959 2.949 50 0 JFAAMO CCOc1ccc(C(=O)N(CC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015864144 556038895 /nfs/dbraw/zinc/03/88/95/556038895.db2.gz NVXDUBZIQXUOQE-UHFFFAOYSA-N 1 1 464.610 2.624 50 0 JFAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868996 556047548 /nfs/dbraw/zinc/04/75/48/556047548.db2.gz UTTLPHIDLAVAFQ-UHFFFAOYSA-N 1 1 471.689 2.760 50 0 JFAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)C1 ZINC000023718783 556085749 /nfs/dbraw/zinc/08/57/49/556085749.db2.gz AQBCZJHGCSKJAU-FQEVSTJZSA-N 1 1 463.644 2.872 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000023818453 556089736 /nfs/dbraw/zinc/08/97/36/556089736.db2.gz FGFLENWWAYVZEO-QHCPKHFHSA-N 1 1 497.039 2.995 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015999051 556104242 /nfs/dbraw/zinc/10/42/42/556104242.db2.gz VHIYIIXDRDRSKP-VKDGWMQASA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000015999051 556104245 /nfs/dbraw/zinc/10/42/45/556104245.db2.gz VHIYIIXDRDRSKP-VKDGWMQASA-N 1 1 465.893 2.697 50 0 JFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016011502 556110550 /nfs/dbraw/zinc/11/05/50/556110550.db2.gz QRKGTDAXUVIJGK-UNKHORCTSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C1Nc2c(cccc2Cl)[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016011502 556110552 /nfs/dbraw/zinc/11/05/52/556110552.db2.gz QRKGTDAXUVIJGK-UNKHORCTSA-N 1 1 465.893 2.542 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016025107 556116017 /nfs/dbraw/zinc/11/60/17/556116017.db2.gz KSEXQRJSHRHGMD-CXLKWVGHSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000016025107 556116020 /nfs/dbraw/zinc/11/60/20/556116020.db2.gz KSEXQRJSHRHGMD-CXLKWVGHSA-N 1 1 495.963 2.827 50 0 JFAAMO CCC(CC)[C@@H](CNC(=O)c1cnn(-c2ccc(OC)nn2)c1C(F)(F)F)[NH+]1CCOCC1 ZINC000024050942 556118299 /nfs/dbraw/zinc/11/82/99/556118299.db2.gz OBSDILKHOXJXQN-MRXNPFEDSA-N 1 1 470.496 2.557 50 0 JFAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)ccc3OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000016042931 556122592 /nfs/dbraw/zinc/12/25/92/556122592.db2.gz ZUZTXVINGICUBZ-GDNALLQQSA-N 1 1 461.518 2.549 50 0 biogenic JFAAMO O=C(/C=C/c1ccc(Br)o1)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012999009 556191612 /nfs/dbraw/zinc/19/16/12/556191612.db2.gz IFSJIBAKEXWFNZ-FNORWQNLSA-N 1 1 455.349 2.750 50 0 JFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000013058372 556253903 /nfs/dbraw/zinc/25/39/03/556253903.db2.gz LUMVSMSHTBPVGF-MRXNPFEDSA-N 1 1 451.976 2.820 50 0 JFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000013058372 556253904 /nfs/dbraw/zinc/25/39/04/556253904.db2.gz LUMVSMSHTBPVGF-MRXNPFEDSA-N 1 1 451.976 2.820 50 0 JFAAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013075228 556276443 /nfs/dbraw/zinc/27/64/43/556276443.db2.gz KYELEWHWPMMJAA-LJQANCHMSA-N 1 1 475.611 2.874 50 0 JFAAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000013075228 556276447 /nfs/dbraw/zinc/27/64/47/556276447.db2.gz KYELEWHWPMMJAA-LJQANCHMSA-N 1 1 475.611 2.874 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(Cl)c1OC ZINC000019299934 556338830 /nfs/dbraw/zinc/33/88/30/556338830.db2.gz KSNDCGPCJSEGAD-UHFFFAOYSA-N 1 1 469.973 2.866 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(Cl)c1OC ZINC000019299934 556338834 /nfs/dbraw/zinc/33/88/34/556338834.db2.gz KSNDCGPCJSEGAD-UHFFFAOYSA-N 1 1 469.973 2.866 50 0 JFAAMO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC000019335279 556342989 /nfs/dbraw/zinc/34/29/89/556342989.db2.gz MVBMSYIBKUNHDP-UHFFFAOYSA-N 1 1 456.550 2.622 50 0 JFAAMO COc1cc(C[N@H+](C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)F ZINC000029121995 556347262 /nfs/dbraw/zinc/34/72/62/556347262.db2.gz CGBXFOQOEHAEMX-UHFFFAOYSA-N 1 1 456.511 2.950 50 0 JFAAMO COc1cc(C[N@@H+](C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC(F)F ZINC000029121995 556347265 /nfs/dbraw/zinc/34/72/65/556347265.db2.gz CGBXFOQOEHAEMX-UHFFFAOYSA-N 1 1 456.511 2.950 50 0 JFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCCO1 ZINC000019740767 556363990 /nfs/dbraw/zinc/36/39/90/556363990.db2.gz CCGQDTGWKLMDGS-DEOSSOPVSA-N 1 1 475.593 2.753 50 0 JFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(Br)c2)cc1 ZINC000019810222 556380972 /nfs/dbraw/zinc/38/09/72/556380972.db2.gz DZJUQYGQPVXKBD-UHFFFAOYSA-N 1 1 466.401 2.727 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2nc(-c3ccc(C)cc3)cc3c2nc(C)n3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000032501624 556437036 /nfs/dbraw/zinc/43/70/36/556437036.db2.gz NKVVZILBAQEFES-FQEVSTJZSA-N 1 1 481.622 2.852 50 0 JFAAMO COc1cc(OC)c(C2=CC[N@@H+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c(OC)c1 ZINC000032870939 556518251 /nfs/dbraw/zinc/51/82/51/556518251.db2.gz FQFQOHGNWCFDFL-UHFFFAOYSA-N 1 1 452.511 3.000 50 0 JFAAMO O=C(Nc1cccc(S(=O)(=O)N[C@@H]2C[NH+]3CCC2CC3)c1)c1ccc(OC(F)F)cc1 ZINC000032937573 556552730 /nfs/dbraw/zinc/55/27/30/556552730.db2.gz YOOTXJBPCZASRB-LJQANCHMSA-N 1 1 451.495 2.913 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccccc2F)CC1 ZINC000008687928 562953591 /nfs/dbraw/zinc/95/35/91/562953591.db2.gz MEEIXHGJCQHCSZ-UHFFFAOYSA-N 1 1 474.602 2.933 50 0 JFAAMO CCc1nn([C@@H](C)C(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n21 ZINC000059889610 563209393 /nfs/dbraw/zinc/20/93/93/563209393.db2.gz JRAWDWVNMXSWBO-FQEVSTJZSA-N 1 1 490.608 2.921 50 0 JFAAMO COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCCO)c1)CCO2 ZINC000055281814 569591379 /nfs/dbraw/zinc/59/13/79/569591379.db2.gz STRLQTFYFPKVMC-DEOSSOPVSA-N 1 1 454.567 2.980 50 0 JFAAMO COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)C[N@@H+](Cc1cccc(OCCO)c1)CCO2 ZINC000055281814 569591378 /nfs/dbraw/zinc/59/13/78/569591378.db2.gz STRLQTFYFPKVMC-DEOSSOPVSA-N 1 1 454.567 2.980 50 0 JFAAMO CCc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(n3nnc(-c4ccc(OC)c(OC)c4)n3)CC2)C1=O ZINC000008694565 569593325 /nfs/dbraw/zinc/59/33/25/569593325.db2.gz JZARTBITKALJPZ-OAQYLSRUSA-N 1 1 490.564 2.889 50 0 JFAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057270783 569595279 /nfs/dbraw/zinc/59/52/79/569595279.db2.gz QCFZQGDGSMFWIR-UHFFFAOYSA-N 1 1 475.659 2.921 50 0 JFAAMO CCOc1ccc([C@H]2NC(=O)NC(CN3CC[NH+](Cc4ccccc4)CC3)=C2C(=O)OC)cc1 ZINC000057415361 569600694 /nfs/dbraw/zinc/60/06/94/569600694.db2.gz BNFAZXUXJUKWGC-XMMPIXPASA-N 1 1 464.566 2.684 50 0 JFAAMO O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCOCC1 ZINC000032995194 569610134 /nfs/dbraw/zinc/61/01/34/569610134.db2.gz RLMILGKKNDEJRP-UHFFFAOYSA-N 1 1 451.980 2.605 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064565639 569619186 /nfs/dbraw/zinc/61/91/86/569619186.db2.gz CVRVCIRSQRXINW-HXUWFJFHSA-N 1 1 494.640 2.718 50 0 JFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292301 569622408 /nfs/dbraw/zinc/62/24/08/569622408.db2.gz ZMJPOJSLIGCWTH-UHFFFAOYSA-N 1 1 495.605 2.699 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc(CN4c5ccnn5CCC4=O)cc3)CC2)c1C ZINC000064622783 569623636 /nfs/dbraw/zinc/62/36/36/569623636.db2.gz IJJRUGALCZNKKF-UHFFFAOYSA-N 1 1 486.620 2.989 50 0 JFAAMO CN(CC(=O)NCCC[NH+]1CCN(C)CC1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704440 569624986 /nfs/dbraw/zinc/62/49/86/569624986.db2.gz IMFNFCONFQVSPS-UHFFFAOYSA-N 1 1 498.701 2.858 50 0 JFAAMO COc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c(OC)c1 ZINC000064836164 569636768 /nfs/dbraw/zinc/63/67/68/569636768.db2.gz CYXGONWGZNSXLT-UHFFFAOYSA-N 1 1 487.560 2.539 50 0 JFAAMO CCn1c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835979 569636772 /nfs/dbraw/zinc/63/67/72/569636772.db2.gz QDNDJHWZIWSGRW-UHFFFAOYSA-N 1 1 476.625 2.680 50 0 JFAAMO COC(=O)c1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064836156 569636806 /nfs/dbraw/zinc/63/68/06/569636806.db2.gz WCWMTIKCGRPUJK-UHFFFAOYSA-N 1 1 471.517 2.630 50 0 JFAAMO Cn1c2c(C(=O)Nc3ccc4c(c3)OCCO4)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836121 569636842 /nfs/dbraw/zinc/63/68/42/569636842.db2.gz IJTWXBPMBYPOGF-UHFFFAOYSA-N 1 1 471.517 2.615 50 0 JFAAMO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000034677189 569641750 /nfs/dbraw/zinc/64/17/50/569641750.db2.gz YDOVVHXSUGFSOY-HXUWFJFHSA-N 1 1 472.492 2.763 50 0 JFAAMO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677245 569641773 /nfs/dbraw/zinc/64/17/73/569641773.db2.gz DOXNEWBWKWUHGJ-NRFANRHFSA-N 1 1 456.587 2.709 50 0 JFAAMO COc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)c1 ZINC000034692140 569646385 /nfs/dbraw/zinc/64/63/85/569646385.db2.gz JQIBYYOEJQPZIZ-QHCPKHFHSA-N 1 1 452.555 2.776 50 0 JFAAMO COc1cccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)c1 ZINC000034692140 569646386 /nfs/dbraw/zinc/64/63/86/569646386.db2.gz JQIBYYOEJQPZIZ-QHCPKHFHSA-N 1 1 452.555 2.776 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(Cc4ccccc4)c3=O)C2)CC1 ZINC000064926493 569646863 /nfs/dbraw/zinc/64/68/63/569646863.db2.gz PURBPEYXITWLJZ-QFIPXVFZSA-N 1 1 459.594 2.825 50 0 JFAAMO COc1ccc(C(=O)Nc2ccc(OCc3cc(C(=O)NCCC[NH+]4CCOCC4)no3)cc2)cc1 ZINC000065027333 569651783 /nfs/dbraw/zinc/65/17/83/569651783.db2.gz JXBRBLOOIQAVIK-UHFFFAOYSA-N 1 1 494.548 2.967 50 0 JFAAMO CC[NH+]1CCN(c2ccc(NC(=O)COC)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919646 569672108 /nfs/dbraw/zinc/67/21/08/569672108.db2.gz QBFYRHCFSQEPKR-JOCHJYFZSA-N 1 1 486.638 2.769 50 0 JFAAMO Cc1nc2ccc(S(=O)(=O)N3CCN(c4cc(N5CCCC5)nc(C)[nH+]4)CC3)cc2s1 ZINC000065364080 569675523 /nfs/dbraw/zinc/67/55/23/569675523.db2.gz XMIWJUSACZCDNZ-UHFFFAOYSA-N 1 1 458.613 2.814 50 0 JFAAMO O=C(Cn1c2ccsc2c(=O)n(Cc2ccccc2F)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067205667 569678109 /nfs/dbraw/zinc/67/81/09/569678109.db2.gz ZNPXJJZZMYNPTH-UHFFFAOYSA-N 1 1 492.576 2.757 50 0 JFAAMO O=C(Cn1c2ccsc2c(=O)n(CCc2cccs2)c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067218704 569680248 /nfs/dbraw/zinc/68/02/48/569680248.db2.gz GEJDUQNDDJUZQF-UHFFFAOYSA-N 1 1 494.642 2.873 50 0 JFAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035363864 569682702 /nfs/dbraw/zinc/68/27/02/569682702.db2.gz GOKPXCCYFJPWCT-WKGYELDXSA-N 1 1 479.920 2.866 50 0 biogenic JFAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000035363864 569682704 /nfs/dbraw/zinc/68/27/04/569682704.db2.gz GOKPXCCYFJPWCT-WKGYELDXSA-N 1 1 479.920 2.866 50 0 biogenic JFAAMO C[N@@H+]1CCCN(c2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccsc32)CC1 ZINC000067264192 569683275 /nfs/dbraw/zinc/68/32/75/569683275.db2.gz NRKCZYWPGVLDGF-UHFFFAOYSA-N 1 1 462.988 2.967 50 0 JFAAMO C[N@H+]1CCCN(c2nc3c(S(=O)(=O)c4ccc(Cl)cc4)nnn3c3ccsc32)CC1 ZINC000067264192 569683277 /nfs/dbraw/zinc/68/32/77/569683277.db2.gz NRKCZYWPGVLDGF-UHFFFAOYSA-N 1 1 462.988 2.967 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000067287117 569684272 /nfs/dbraw/zinc/68/42/72/569684272.db2.gz BCDGRQFGSXUQIQ-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CC[NH+](C4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000067287204 569684409 /nfs/dbraw/zinc/68/44/09/569684409.db2.gz QKCNHDHPUDRXRM-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO COc1ccc(CNC(=O)C[NH+]2CCC3(CC2)NC(c2ccc(OC(F)(F)F)cc2)=NO3)cc1 ZINC000067317669 569686842 /nfs/dbraw/zinc/68/68/42/569686842.db2.gz GETNDHMWPCFURZ-UHFFFAOYSA-N 1 1 478.471 2.984 50 0 JFAAMO 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/nfs/dbraw/zinc/78/07/13/569780713.db2.gz MSZICNNAKUBVOA-AREMUKBSSA-N 1 1 464.566 2.505 50 0 JFAAMO CCCc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)N2CC[NH+](CC)CC2)C(=O)CO3)cc1 ZINC000037512074 569791926 /nfs/dbraw/zinc/79/19/26/569791926.db2.gz RUZKSGMAYCOZIO-UHFFFAOYSA-N 1 1 479.577 2.790 50 0 JFAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000037612183 569799315 /nfs/dbraw/zinc/79/93/15/569799315.db2.gz VTIYFMIUBKPAQL-JOCHJYFZSA-N 1 1 485.556 2.532 50 0 JFAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)c4ccc(F)cc4)CC3)C2)cc1OC ZINC000037612183 569799317 /nfs/dbraw/zinc/79/93/17/569799317.db2.gz VTIYFMIUBKPAQL-JOCHJYFZSA-N 1 1 485.556 2.532 50 0 JFAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccncc4)CC3)C2=O)cc1 ZINC000101744203 569803667 /nfs/dbraw/zinc/80/36/67/569803667.db2.gz QXLOZGILOTYJGE-QHCPKHFHSA-N 1 1 464.566 2.531 50 0 JFAAMO C[C@H]1C[N@H+](CCC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)Cc2cc(Cl)ccc2O1 ZINC000039489976 569810030 /nfs/dbraw/zinc/81/00/30/569810030.db2.gz UDIVZPWVFWBGOB-AVRDEDQJSA-N 1 1 458.990 2.898 50 0 JFAAMO C[C@H]1C[N@@H+](CCC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)Cc2cc(Cl)ccc2O1 ZINC000039489976 569810031 /nfs/dbraw/zinc/81/00/31/569810031.db2.gz UDIVZPWVFWBGOB-AVRDEDQJSA-N 1 1 458.990 2.898 50 0 JFAAMO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040073800 569815659 /nfs/dbraw/zinc/81/56/59/569815659.db2.gz ANBVBPRNEYAWBU-NDEPHWFRSA-N 1 1 490.604 2.914 50 0 JFAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc(OC)c1OC ZINC000102852288 569824499 /nfs/dbraw/zinc/82/44/99/569824499.db2.gz IMJXLOYUZZCQFL-NRFANRHFSA-N 1 1 486.594 2.616 50 0 JFAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)Cc1ccco1 ZINC000103868960 569838717 /nfs/dbraw/zinc/83/87/17/569838717.db2.gz CZYNOWLCDXWTMI-NDXORKPFSA-N 1 1 490.651 2.990 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169680330 569870321 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CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000253389851 570095788 /nfs/dbraw/zinc/09/57/88/570095788.db2.gz VHIYIIXDRDRSKP-UECWXEIQSA-N 1 1 465.893 2.697 50 0 JFAAMO CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761941 570174644 /nfs/dbraw/zinc/17/46/44/570174644.db2.gz CEOAZTLXFCEMBS-IZLXSDGUSA-N 1 1 474.605 2.921 50 0 JFAAMO COC(=O)[C@@H]1CCCN1C(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000299766878 570175326 /nfs/dbraw/zinc/17/53/26/570175326.db2.gz UFIWRZBXZDFOBH-WWNPGLIZSA-N 1 1 478.033 2.807 50 0 JFAAMO COC(=O)[C@@H]1CCCN1C(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000299766878 570175327 /nfs/dbraw/zinc/17/53/27/570175327.db2.gz UFIWRZBXZDFOBH-WWNPGLIZSA-N 1 1 478.033 2.807 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000299797504 570177333 /nfs/dbraw/zinc/17/73/33/570177333.db2.gz AYIKDMPMXYVZDA-UHFFFAOYSA-N 1 1 463.582 2.549 50 0 JFAAMO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)ccc3c2=O)cc1 ZINC000004791494 194399783 /nfs/dbraw/zinc/39/97/83/194399783.db2.gz XMPNAGHILMUTDF-UHFFFAOYSA-N 1 1 486.572 2.999 50 0 JFAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009870503 195005799 /nfs/dbraw/zinc/00/57/99/195005799.db2.gz VYTMIHRAVMYCEC-NHCUHLMSSA-N 1 1 490.670 2.758 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2cccc(F)c2)CC1 ZINC000012606975 195051828 /nfs/dbraw/zinc/05/18/28/195051828.db2.gz DDKLRUUDOOSIER-UHFFFAOYSA-N 1 1 474.602 2.933 50 0 JFAAMO CC(C)CC[N@@H+](CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000012887025 195170959 /nfs/dbraw/zinc/17/09/59/195170959.db2.gz VCUNSUHAMAPNAP-UHFFFAOYSA-N 1 1 455.603 2.667 50 0 JFAAMO COc1ccc2[nH]c(C(=O)N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1OC ZINC000020677361 195202386 /nfs/dbraw/zinc/20/23/86/195202386.db2.gz IGYBTXGQLHXMGT-KRWDZBQOSA-N 1 1 450.539 2.648 50 0 JFAAMO O=C(CNC(=S)N(Cc1ccccc1)Cc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000020679837 195203711 /nfs/dbraw/zinc/20/37/11/195203711.db2.gz ZIEITYIHAAWMJC-UHFFFAOYSA-N 1 1 458.603 2.541 50 0 JFAAMO O=C1CN(CCC[NH+]2CCOCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N12 ZINC000020758208 195216892 /nfs/dbraw/zinc/21/68/92/195216892.db2.gz VNOCLZBMIJAAMD-ZEQKJWHPSA-N 1 1 458.562 2.575 50 0 biogenic JFAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2cc(C)ccc2O1 ZINC000020902416 195241716 /nfs/dbraw/zinc/24/17/16/195241716.db2.gz FRYQOUBEHAMKHE-NRFANRHFSA-N 1 1 458.603 2.643 50 0 JFAAMO CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000020991925 195262481 /nfs/dbraw/zinc/26/24/81/195262481.db2.gz LONQNSNRCNYUFY-LOSJGSFVSA-N 1 1 478.637 2.950 50 0 JFAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000020991925 195262482 /nfs/dbraw/zinc/26/24/82/195262482.db2.gz LONQNSNRCNYUFY-LOSJGSFVSA-N 1 1 478.637 2.950 50 0 JFAAMO 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CC[NH+]1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000020112568 555649850 /nfs/dbraw/zinc/64/98/50/555649850.db2.gz LJGDUFKOEBMAON-LOSJGSFVSA-N 1 1 497.592 2.796 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccccc2F)CC1 ZINC000020114282 555652070 /nfs/dbraw/zinc/65/20/70/555652070.db2.gz SZEOCXLXDGYTRA-XZOQPEGZSA-N 1 1 455.530 2.918 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000020114243 555652172 /nfs/dbraw/zinc/65/21/72/555652172.db2.gz DPEFZHWJFLKLNV-ZEQRLZLVSA-N 1 1 485.556 2.592 50 0 JFAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](C)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000020116793 555654205 /nfs/dbraw/zinc/65/42/05/555654205.db2.gz NNQAZCLHPAGSRT-SQJMNOBHSA-N 1 1 497.592 2.979 50 0 JFAAMO O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)C1([NH+]3CCOCC3)CCCCC1)CC2 ZINC000020149115 555664749 /nfs/dbraw/zinc/66/47/49/555664749.db2.gz PKVDMEFRGXAEGE-QHCPKHFHSA-N 1 1 468.642 2.794 50 0 JFAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014070139 555678574 /nfs/dbraw/zinc/67/85/74/555678574.db2.gz PWXVIBNITWPPDZ-NRFANRHFSA-N 1 1 465.550 2.668 50 0 JFAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014070139 555678577 /nfs/dbraw/zinc/67/85/77/555678577.db2.gz PWXVIBNITWPPDZ-NRFANRHFSA-N 1 1 465.550 2.668 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1cccnc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288319 555757413 /nfs/dbraw/zinc/75/74/13/555757413.db2.gz OPWPMHCKMWHFLV-WMZHIEFXSA-N 1 1 463.607 2.828 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000020352038 555780236 /nfs/dbraw/zinc/78/02/36/555780236.db2.gz DPSHSCDOACDROY-UHFFFAOYSA-N 1 1 451.976 2.708 50 0 JFAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC([C@@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000011786037 555819024 /nfs/dbraw/zinc/81/90/24/555819024.db2.gz IZXZTGMTSDPFMU-LVXARBLLSA-N 1 1 495.649 2.856 50 0 JFAAMO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4n3C)CC2)C1=O ZINC000014533126 555821361 /nfs/dbraw/zinc/82/13/61/555821361.db2.gz DEQFMBODJGHCHZ-UHFFFAOYSA-N 1 1 489.576 2.588 50 0 JFAAMO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)C1=O ZINC000014536794 555826086 /nfs/dbraw/zinc/82/60/86/555826086.db2.gz JZEIXNXKTXCICM-UHFFFAOYSA-N 1 1 477.590 2.623 50 0 JFAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)CC(=O)N1CC[NH+](C)CC1)occ3C(C)(C)C ZINC000020591885 555838395 /nfs/dbraw/zinc/83/83/95/555838395.db2.gz WBJSBKQQFITWPV-UHFFFAOYSA-N 1 1 467.566 2.920 50 0 JFAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000011870653 555846792 /nfs/dbraw/zinc/84/67/92/555846792.db2.gz KRFSBHJGWHJIAU-QGZVFWFLSA-N 1 1 465.529 2.813 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)ccc1OC ZINC000020775693 555847683 /nfs/dbraw/zinc/84/76/83/555847683.db2.gz HGXTZCXMHCKRGI-UHFFFAOYSA-N 1 1 453.518 2.813 50 0 JFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000021581098 555852844 /nfs/dbraw/zinc/85/28/44/555852844.db2.gz NXDGIOXVBCDSTR-OAQYLSRUSA-N 1 1 461.559 2.504 50 0 JFAAMO COCCc1ccc(OC[C@H](O)C[N@@H+](C[C@H](O)COc2ccc(CCOC)cc2)C(C)C)cc1 ZINC000022063142 555868463 /nfs/dbraw/zinc/86/84/63/555868463.db2.gz FPFJXNCXQDHWGC-PLQXJYEYSA-N 1 1 475.626 2.954 50 0 in-vitro JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2 ZINC000011997962 555880432 /nfs/dbraw/zinc/88/04/32/555880432.db2.gz CHZPYSIMRVMSPY-SFHVURJKSA-N 1 1 477.565 2.884 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2 ZINC000011997962 555880436 /nfs/dbraw/zinc/88/04/36/555880436.db2.gz CHZPYSIMRVMSPY-SFHVURJKSA-N 1 1 477.565 2.884 50 0 JFAAMO COc1ccc(-n2nnnc2SCC(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000015276126 555892016 /nfs/dbraw/zinc/89/20/16/555892016.db2.gz MFOMDGQAIVKJQL-TZIWHRDSSA-N 1 1 450.568 2.906 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC ZINC000012041286 555893753 /nfs/dbraw/zinc/89/37/53/555893753.db2.gz YSLZGMDWCZQRDM-SFHVURJKSA-N 1 1 495.580 2.618 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc(OC)c1OC ZINC000012041286 555893755 /nfs/dbraw/zinc/89/37/55/555893755.db2.gz YSLZGMDWCZQRDM-SFHVURJKSA-N 1 1 495.580 2.618 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000012041404 555894088 /nfs/dbraw/zinc/89/40/88/555894088.db2.gz LNVQHFMPKJMUDD-UHFFFAOYSA-N 1 1 485.610 2.756 50 0 JFAAMO COc1cccc(N2CCN(C(=O)CC[C@H]3C[N@@H+](CC(C)C)CC[C@H]3N3CCOCC3)CC2)c1 ZINC000012097579 555904836 /nfs/dbraw/zinc/90/48/36/555904836.db2.gz JWVVMNAHAKQMKB-JYFHCDHNSA-N 1 1 472.674 2.803 50 0 JFAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507839 555912072 /nfs/dbraw/zinc/91/20/72/555912072.db2.gz ZIHFRJRDIBXMKL-QGZVFWFLSA-N 1 1 458.584 2.615 50 0 JFAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012132386 555912258 /nfs/dbraw/zinc/91/22/58/555912258.db2.gz ROHDLGRJRIRGCS-JOCHJYFZSA-N 1 1 460.538 2.898 50 0 JFAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC2)no1 ZINC000022843477 555956594 /nfs/dbraw/zinc/95/65/94/555956594.db2.gz SURLRSRSXYSFRB-HXUWFJFHSA-N 1 1 466.538 2.771 50 0 JFAAMO COc1ccc(C)cc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2 ZINC000022909277 555967260 /nfs/dbraw/zinc/96/72/60/555967260.db2.gz VQWRTCRMMUOGTO-UHFFFAOYSA-N 1 1 486.638 2.892 50 0 JFAAMO CC(C)[C@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000022912974 555968496 /nfs/dbraw/zinc/96/84/96/555968496.db2.gz AAXGDUUOJANIMQ-VWLOTQADSA-N 1 1 474.646 2.584 50 0 JFAAMO CC(C)[C@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000022912974 555968502 /nfs/dbraw/zinc/96/85/02/555968502.db2.gz AAXGDUUOJANIMQ-VWLOTQADSA-N 1 1 474.646 2.584 50 0 JFAAMO COc1ccc(C2=NN(C(=O)CN3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000022920234 555974080 /nfs/dbraw/zinc/97/40/80/555974080.db2.gz RMKSYIBTPGPHFL-HSZRJFAPSA-N 1 1 495.624 2.888 50 0 JFAAMO COc1ccc(C2=NN(C(=O)CN3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000022920234 555974081 /nfs/dbraw/zinc/97/40/81/555974081.db2.gz RMKSYIBTPGPHFL-HSZRJFAPSA-N 1 1 495.624 2.888 50 0 JFAAMO CCOC(=O)N1CCc2c(sc(NC(=O)CN3CC[NH+](C)CC3)c2C(=O)Nc2ccccc2)C1 ZINC000022921271 555975100 /nfs/dbraw/zinc/97/51/00/555975100.db2.gz VRWABJBPIILMPW-UHFFFAOYSA-N 1 1 485.610 2.701 50 0 JFAAMO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022933488 555986008 /nfs/dbraw/zinc/98/60/08/555986008.db2.gz UVUGNCUZJQNQQF-UHFFFAOYSA-N 1 1 478.515 2.895 50 0 JFAAMO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000015821817 556010191 /nfs/dbraw/zinc/01/01/91/556010191.db2.gz HVWAVEPEFPIQNS-UHFFFAOYSA-N 1 1 451.976 2.626 50 0 JFAAMO 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CC(C)(CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1 ZINC000025463430 556217307 /nfs/dbraw/zinc/21/73/07/556217307.db2.gz GKBCULAFVTYECX-QFIPXVFZSA-N 1 1 471.623 2.711 50 0 JFAAMO CC(C)CCN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013038047 556234435 /nfs/dbraw/zinc/23/44/35/556234435.db2.gz GEPHLXWAXSBFSS-UHFFFAOYSA-N 1 1 475.593 2.605 50 0 JFAAMO CC(C)CCN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013038047 556234439 /nfs/dbraw/zinc/23/44/39/556234439.db2.gz GEPHLXWAXSBFSS-UHFFFAOYSA-N 1 1 475.593 2.605 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000017288404 556251416 /nfs/dbraw/zinc/25/14/16/556251416.db2.gz YFEAQRCCCRFJTG-IBGZPJMESA-N 1 1 467.595 2.544 50 0 JFAAMO CCOc1ccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013058058 556253202 /nfs/dbraw/zinc/25/32/02/556253202.db2.gz UZOOSJMZZHXCLH-UHFFFAOYSA-N 1 1 459.612 2.667 50 0 JFAAMO CCOc1ccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013058058 556253206 /nfs/dbraw/zinc/25/32/06/556253206.db2.gz UZOOSJMZZHXCLH-UHFFFAOYSA-N 1 1 459.612 2.667 50 0 JFAAMO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000027208499 556275034 /nfs/dbraw/zinc/27/50/34/556275034.db2.gz KDDPOGNTCVUIIW-FQEVSTJZSA-N 1 1 486.956 2.814 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000013128882 556349548 /nfs/dbraw/zinc/34/95/48/556349548.db2.gz LTLGBRZVGTVNFC-FQEVSTJZSA-N 1 1 490.670 2.913 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cscn4)c(OC)cc(=O)n3CC2)cc1C ZINC000019745034 556365973 /nfs/dbraw/zinc/36/59/73/556365973.db2.gz DCZPOMJBOHMDTQ-UHFFFAOYSA-N 1 1 482.606 2.961 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cscn4)c(OC)cc(=O)n3CC2)cc1C ZINC000019745034 556365975 /nfs/dbraw/zinc/36/59/75/556365975.db2.gz DCZPOMJBOHMDTQ-UHFFFAOYSA-N 1 1 482.606 2.961 50 0 JFAAMO CN(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019758379 556366284 /nfs/dbraw/zinc/36/62/84/556366284.db2.gz LAMNTPFGXHSPQM-HSZRJFAPSA-N 1 1 450.583 2.904 50 0 JFAAMO Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)c12 ZINC000030645577 556368902 /nfs/dbraw/zinc/36/89/02/556368902.db2.gz YTFQYASCTXRFMA-UHFFFAOYSA-N 1 1 457.538 2.930 50 0 JFAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019793578 556373003 /nfs/dbraw/zinc/37/30/03/556373003.db2.gz ICXOLVZRSYHEMI-UHFFFAOYSA-N 1 1 476.577 2.720 50 0 JFAAMO CCC(CC)[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[NH+]1CCOCC1 ZINC000030943946 556389063 /nfs/dbraw/zinc/38/90/63/556389063.db2.gz QEIYCEIKHYZWHJ-VQTJNVASSA-N 1 1 471.689 2.710 50 0 JFAAMO CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1)[NH+]1CCOCC1 ZINC000030943940 556389126 /nfs/dbraw/zinc/38/91/26/556389126.db2.gz QEIYCEIKHYZWHJ-WOJBJXKFSA-N 1 1 471.689 2.710 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c(O)c2c1 ZINC000006181398 562937103 /nfs/dbraw/zinc/93/71/03/562937103.db2.gz DTVKRZUTARXFCC-QGZVFWFLSA-N 1 1 462.616 2.965 50 0 JFAAMO CCc1nn([C@H](C)C(=O)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc3occc3n21 ZINC000059889614 563209356 /nfs/dbraw/zinc/20/93/56/563209356.db2.gz JRAWDWVNMXSWBO-HXUWFJFHSA-N 1 1 490.608 2.921 50 0 JFAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CCC([NH+]3CCCCC3)CC2)C1C(=O)OC ZINC000057415690 569601110 /nfs/dbraw/zinc/60/11/10/569601110.db2.gz WIFXIAQHKGTJDU-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000062588329 569612248 /nfs/dbraw/zinc/61/22/48/569612248.db2.gz SNLFBCFCBZLOHC-UHFFFAOYSA-N 1 1 481.644 2.645 50 0 JFAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613431 569612931 /nfs/dbraw/zinc/61/29/31/569612931.db2.gz CENZDJFXGCBZDC-DLBZAZTESA-N 1 1 487.066 2.936 50 0 JFAAMO Cc1nc2ccccc2n(CCC(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000033005255 569614464 /nfs/dbraw/zinc/61/44/64/569614464.db2.gz ZICLFAFUMOVPID-UHFFFAOYSA-N 1 1 451.546 2.563 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033024600 569620097 /nfs/dbraw/zinc/62/00/97/569620097.db2.gz FIVRGBJQCIISBD-KRWDZBQOSA-N 1 1 484.626 2.633 50 0 JFAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677095 569641729 /nfs/dbraw/zinc/64/17/29/569641729.db2.gz PUWYWQBSASAWMJ-IBGZPJMESA-N 1 1 484.519 2.527 50 0 JFAAMO Cc1cccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)COCc4ccccc4)CC3)n2)c1 ZINC000034677314 569641998 /nfs/dbraw/zinc/64/19/98/569641998.db2.gz ZKDGMPFVBMJLBD-QHCPKHFHSA-N 1 1 464.566 2.931 50 0 JFAAMO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)Cc4ccccc4)CC3)n2)cc1 ZINC000034678407 569642279 /nfs/dbraw/zinc/64/22/79/569642279.db2.gz AJGFEQZVUFBDJP-OAQYLSRUSA-N 1 1 450.539 2.657 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925432 569646553 /nfs/dbraw/zinc/64/65/53/569646553.db2.gz MCZJLWHFZAJPDK-UHFFFAOYSA-N 1 1 455.566 2.753 50 0 JFAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740639 569655566 /nfs/dbraw/zinc/65/55/66/569655566.db2.gz HZKUIXGWKRCXFI-IRLDBZIGSA-N 1 1 470.566 2.761 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062301 569655780 /nfs/dbraw/zinc/65/57/80/569655780.db2.gz UBDBYEVALQRIHQ-QGZVFWFLSA-N 1 1 491.123 2.582 50 0 JFAAMO Cc1cc(C(=O)N(CCC(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)C[C@H]2CCCO2)no1 ZINC000034922568 569672862 /nfs/dbraw/zinc/67/28/62/569672862.db2.gz UPJASEJYLVHIAU-JOCHJYFZSA-N 1 1 454.571 2.647 50 0 JFAAMO Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000065365431 569675501 /nfs/dbraw/zinc/67/55/01/569675501.db2.gz QOLZFVPERXERBI-UHFFFAOYSA-N 1 1 455.506 2.915 50 0 JFAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035363852 569682509 /nfs/dbraw/zinc/68/25/09/569682509.db2.gz VAVWPDXNBGDOPI-WKGYELDXSA-N 1 1 479.920 2.866 50 0 biogenic JFAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2Cl ZINC000035363852 569682510 /nfs/dbraw/zinc/68/25/10/569682510.db2.gz VAVWPDXNBGDOPI-WKGYELDXSA-N 1 1 479.920 2.866 50 0 biogenic JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285897 569683615 /nfs/dbraw/zinc/68/36/15/569683615.db2.gz LGKVVQYQNBSDBC-DEOSSOPVSA-N 1 1 486.613 2.825 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000067287489 569684497 /nfs/dbraw/zinc/68/44/97/569684497.db2.gz LNPVGFNDIDXQGQ-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO CCOc1ccccc1[C@H]1NC(=O)N=C(CN2CC[NH+](C3CCCCC3)CC2)C1C(=O)OC ZINC000067287901 569684801 /nfs/dbraw/zinc/68/48/01/569684801.db2.gz UIBHLKNWDJBJMQ-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ncn1 ZINC000067602202 569688793 /nfs/dbraw/zinc/68/87/93/569688793.db2.gz VGWUAMRWFCIYSO-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000069926260 569693942 /nfs/dbraw/zinc/69/39/42/569693942.db2.gz LQSYETGWEYBFAU-WZONZLPQSA-N 1 1 477.392 2.944 50 0 JFAAMO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)n2C)c1 ZINC000035446569 569695904 /nfs/dbraw/zinc/69/59/04/569695904.db2.gz UYKWHFDJJSWWHV-UHFFFAOYSA-N 1 1 454.596 2.607 50 0 JFAAMO CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000035559590 569703838 /nfs/dbraw/zinc/70/38/38/569703838.db2.gz NHCTVUSQJOADRZ-XMMPIXPASA-N 1 1 498.649 2.877 50 0 JFAAMO COc1ccc(-c2ccc(=O)n(CN3CC[NH+](CCOc4ccccc4)CC3)n2)cc1OC ZINC000079485353 569707417 /nfs/dbraw/zinc/70/74/17/569707417.db2.gz GYVKKHSHRBAWNT-UHFFFAOYSA-N 1 1 450.539 2.582 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085648579 569712248 /nfs/dbraw/zinc/71/22/48/569712248.db2.gz BGHCRPRHSGSTKZ-UHFFFAOYSA-N 1 1 498.653 2.586 50 0 JFAAMO Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000085878687 569716222 /nfs/dbraw/zinc/71/62/22/569716222.db2.gz VPEVQZDQRBMPRM-PUHATCMVSA-N 1 1 486.616 2.861 50 0 biogenic JFAAMO Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000085878687 569716224 /nfs/dbraw/zinc/71/62/24/569716224.db2.gz VPEVQZDQRBMPRM-PUHATCMVSA-N 1 1 486.616 2.861 50 0 biogenic JFAAMO Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000085878691 569716292 /nfs/dbraw/zinc/71/62/92/569716292.db2.gz VPEVQZDQRBMPRM-MZYLBHOOSA-N 1 1 486.616 2.861 50 0 biogenic JFAAMO Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000085878691 569716293 /nfs/dbraw/zinc/71/62/93/569716293.db2.gz VPEVQZDQRBMPRM-MZYLBHOOSA-N 1 1 486.616 2.861 50 0 biogenic JFAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000095100969 569721647 /nfs/dbraw/zinc/72/16/47/569721647.db2.gz JIIWNXTVJPBJHZ-DEOSSOPVSA-N 1 1 496.539 2.543 50 0 JFAAMO O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000035908066 569723819 /nfs/dbraw/zinc/72/38/19/569723819.db2.gz HHKVYXMKMZHDRG-GGAORHGYSA-N 1 1 480.575 2.759 50 0 JFAAMO O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000035908065 569723847 /nfs/dbraw/zinc/72/38/47/569723847.db2.gz HHKVYXMKMZHDRG-GMAHTHKFSA-N 1 1 480.575 2.759 50 0 JFAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)CC1 ZINC000095536155 569725617 /nfs/dbraw/zinc/72/56/17/569725617.db2.gz WVOSHPPCHZDPCP-UHFFFAOYSA-N 1 1 475.376 2.932 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@@H]1[C@@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000035911098 569726326 /nfs/dbraw/zinc/72/63/26/569726326.db2.gz RYUOHRPYIOIKQK-GBXCKJPGSA-N 1 1 455.002 2.990 50 0 JFAAMO COc1ccc(OC)c(-c2cc(C(=O)N(CC(=O)N3CC[NH+](C)CC3)Cc3ccccc3)no2)c1 ZINC000036015226 569748991 /nfs/dbraw/zinc/74/89/91/569748991.db2.gz HYSYZOFRYWNCAD-UHFFFAOYSA-N 1 1 478.549 2.775 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313413 569760802 /nfs/dbraw/zinc/76/08/02/569760802.db2.gz PKTVOZQHUAKBMD-OALUTQOASA-N 1 1 463.550 2.696 50 0 JFAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342565 569765916 /nfs/dbraw/zinc/76/59/16/569765916.db2.gz FGKGIAWCATYYHA-XMMPIXPASA-N 1 1 494.592 2.978 50 0 JFAAMO CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000036390287 569774432 /nfs/dbraw/zinc/77/44/32/569774432.db2.gz IBLNARIJEJOYDV-CRAIPNDOSA-N 1 1 460.438 2.743 50 0 JFAAMO O=C([C@@H]1COc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2O1)N1CCCCCC1 ZINC000037008932 569781167 /nfs/dbraw/zinc/78/11/67/569781167.db2.gz YGZVGIZFRCNRTJ-DEOSSOPVSA-N 1 1 491.654 2.868 50 0 JFAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2csc(Nc3ccccc3OC)n2)CC1 ZINC000037437061 569790168 /nfs/dbraw/zinc/79/01/68/569790168.db2.gz PPMGDUCJSBUPLI-UHFFFAOYSA-N 1 1 475.615 2.538 50 0 JFAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC[NH+]3CCOCC3)N2[C@H]1c1cccc(F)c1 ZINC000102746708 569820155 /nfs/dbraw/zinc/82/01/55/569820155.db2.gz PWTRAQSLNJFMQP-QFIPXVFZSA-N 1 1 488.585 2.802 50 0 JFAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC[NH+]3CCOCC3)N2[C@H]1c1ccccc1 ZINC000102746728 569820225 /nfs/dbraw/zinc/82/02/25/569820225.db2.gz UNFDNLYXTLVVTL-QFIPXVFZSA-N 1 1 470.595 2.663 50 0 JFAAMO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[N@@H+]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000103716106 569837315 /nfs/dbraw/zinc/83/73/15/569837315.db2.gz DHVFMNFIHILANW-HEJPQYQCSA-N 1 1 463.600 2.907 50 0 JFAAMO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[N@H+]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000103716106 569837316 /nfs/dbraw/zinc/83/73/16/569837316.db2.gz DHVFMNFIHILANW-HEJPQYQCSA-N 1 1 463.600 2.907 50 0 JFAAMO CC(C)[N@@H+](CCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000103869025 569838685 /nfs/dbraw/zinc/83/86/85/569838685.db2.gz JOZMPOMLHIMARO-LEWJYISDSA-N 1 1 490.651 2.529 50 0 JFAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000104396221 569845605 /nfs/dbraw/zinc/84/56/05/569845605.db2.gz UOKGBXOUTBANPT-VXKWHMMOSA-N 1 1 497.592 2.970 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000104396221 569845606 /nfs/dbraw/zinc/84/56/06/569845606.db2.gz UOKGBXOUTBANPT-VXKWHMMOSA-N 1 1 497.592 2.970 50 0 JFAAMO COc1ccc(C[C@@H]([NH2+]Cc2nc3ccccc3c(=O)n2CC(N)=O)c2ccc(OC)cc2)cc1 ZINC000049597300 569849556 /nfs/dbraw/zinc/84/95/56/569849556.db2.gz FNLQURBLTCKJFH-XMMPIXPASA-N 1 1 472.545 2.973 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535932 569854299 /nfs/dbraw/zinc/85/42/99/569854299.db2.gz NFPIGKHDJZHKST-CWNDDBTHSA-N 1 1 465.893 2.808 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000106535932 569854300 /nfs/dbraw/zinc/85/43/00/569854300.db2.gz NFPIGKHDJZHKST-CWNDDBTHSA-N 1 1 465.893 2.808 50 0 JFAAMO COC(=O)C[C@H](c1ccc(O)cc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426719 569996332 /nfs/dbraw/zinc/99/63/32/569996332.db2.gz QGIGXXZUOOJHCA-PLMTUMEDSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COC(=O)C[C@H](c1ccc(O)cc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225426719 569996334 /nfs/dbraw/zinc/99/63/34/569996334.db2.gz QGIGXXZUOOJHCA-PLMTUMEDSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229634738 570040725 /nfs/dbraw/zinc/04/07/25/570040725.db2.gz INSOEGISNFOBEP-XXPWESIGSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229634738 570040726 /nfs/dbraw/zinc/04/07/26/570040726.db2.gz INSOEGISNFOBEP-XXPWESIGSA-N 1 1 465.893 2.542 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000230137859 570045584 /nfs/dbraw/zinc/04/55/84/570045584.db2.gz QPJJCASWRFQJPY-RSXGOPAZSA-N 1 1 482.600 2.540 50 0 JFAAMO CC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000245327088 570065105 /nfs/dbraw/zinc/06/51/05/570065105.db2.gz IUKYSHHMPQLMND-PGRDOPGGSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000245327088 570065106 /nfs/dbraw/zinc/06/51/06/570065106.db2.gz IUKYSHHMPQLMND-PGRDOPGGSA-N 1 1 462.612 2.981 50 0 JFAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000248213027 570076284 /nfs/dbraw/zinc/07/62/84/570076284.db2.gz FCCFRZPQNNQUST-MAEPKYQWSA-N 1 1 453.926 2.594 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248206286 570076353 /nfs/dbraw/zinc/07/63/53/570076353.db2.gz BFNZVVRVIRCIOX-IHWFECONSA-N 1 1 453.926 2.593 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000248336522 570077926 /nfs/dbraw/zinc/07/79/26/570077926.db2.gz ORYPYSWFPIWMNC-AFJGJVAASA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000248336522 570077927 /nfs/dbraw/zinc/07/79/27/570077927.db2.gz ORYPYSWFPIWMNC-AFJGJVAASA-N 1 1 479.558 2.891 50 0 JFAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000253389763 570095676 /nfs/dbraw/zinc/09/56/76/570095676.db2.gz LHDDXPFSFBAXCS-NHCUHLMSSA-N 1 1 463.550 2.696 50 0 JFAAMO O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253535689 570103544 /nfs/dbraw/zinc/10/35/44/570103544.db2.gz AZLAMAJGRJSGCD-WTIAFYNJSA-N 1 1 465.598 2.996 50 0 JFAAMO COc1ccc(CCN2C[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1OC ZINC000257198545 570107351 /nfs/dbraw/zinc/10/73/51/570107351.db2.gz CBTONCXVHJOHKF-BHDDXSALSA-N 1 1 457.615 2.818 50 0 biogenic JFAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263585517 570171075 /nfs/dbraw/zinc/17/10/75/570171075.db2.gz JPLZQCYIKGNGEV-UONOGXRCSA-N 1 1 454.914 2.827 50 0 biogenic JFAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263585517 570171076 /nfs/dbraw/zinc/17/10/76/570171076.db2.gz JPLZQCYIKGNGEV-UONOGXRCSA-N 1 1 454.914 2.827 50 0 biogenic JFAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2Cl)C1=O ZINC000299769278 570175440 /nfs/dbraw/zinc/17/54/40/570175440.db2.gz LKOJOTIVKHFGTH-AREMUKBSSA-N 1 1 483.996 2.718 50 0 JFAAMO Cc1ccccc1[C@@]1(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC(=O)N(Cc2cccnc2)C1=O ZINC000299770486 570175832 /nfs/dbraw/zinc/17/58/32/570175832.db2.gz VYCQYFZWLNXPJS-YIXXDRMTSA-N 1 1 462.594 2.776 50 0 JFAAMO COc1ccc([C@]2(CC(=O)N(C)C[C@H]3CC[N@@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771564 570175851 /nfs/dbraw/zinc/17/58/51/570175851.db2.gz QYUPJIHYOKRQEZ-BCHFMIIMSA-N 1 1 455.599 2.681 50 0 JFAAMO CCOC(=O)N1CCC([N@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3c(C)noc3C)C2)CC1 ZINC000299780941 570176517 /nfs/dbraw/zinc/17/65/17/570176517.db2.gz BLJBFXCKJLHSSO-FQEVSTJZSA-N 1 1 450.580 2.598 50 0 JFAAMO CCOC(=O)N1CCC([N@@H+]2CC(=O)N(CC(C)C)C[C@@H](OCc3c(C)noc3C)C2)CC1 ZINC000299780941 570176518 /nfs/dbraw/zinc/17/65/18/570176518.db2.gz BLJBFXCKJLHSSO-FQEVSTJZSA-N 1 1 450.580 2.598 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000012601406 195046932 /nfs/dbraw/zinc/04/69/32/195046932.db2.gz FJUYBPALEBWYSD-DEOSSOPVSA-N 1 1 480.609 2.932 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1 ZINC000012601406 195046935 /nfs/dbraw/zinc/04/69/35/195046935.db2.gz FJUYBPALEBWYSD-DEOSSOPVSA-N 1 1 480.609 2.932 50 0 JFAAMO CSCC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000012844732 195151660 /nfs/dbraw/zinc/15/16/60/195151660.db2.gz CSNQRORZZPTFOJ-FQEVSTJZSA-N 1 1 459.612 2.556 50 0 JFAAMO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21 ZINC000020686717 195205258 /nfs/dbraw/zinc/20/52/58/195205258.db2.gz UVWYKXSMHRSXEK-MSOLQXFVSA-N 1 1 474.627 2.695 50 0 JFAAMO O=C1CN(CCC[NH+]2CCOCC2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N12 ZINC000020758212 195216771 /nfs/dbraw/zinc/21/67/71/195216771.db2.gz VNOCLZBMIJAAMD-BVAGGSTKSA-N 1 1 458.562 2.575 50 0 biogenic JFAAMO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4nccs4)c(OC)cc(=O)n3CC2)o1 ZINC000020777326 195224071 /nfs/dbraw/zinc/22/40/71/195224071.db2.gz PPGRSAYGGNDCNJ-UHFFFAOYSA-N 1 1 456.568 2.799 50 0 JFAAMO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4nccs4)c(OC)cc(=O)n3CC2)o1 ZINC000020777326 195224073 /nfs/dbraw/zinc/22/40/73/195224073.db2.gz PPGRSAYGGNDCNJ-UHFFFAOYSA-N 1 1 456.568 2.799 50 0 JFAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)sc2ncnc(NC[C@@H]3COc4ccccc4O3)c12 ZINC000020777475 195224149 /nfs/dbraw/zinc/22/41/49/195224149.db2.gz JFQQNSZKJKEOAL-QGZVFWFLSA-N 1 1 483.594 2.704 50 0 JFAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020912747 195246294 /nfs/dbraw/zinc/24/62/94/195246294.db2.gz UOKGBXOUTBANPT-YADHBBJMSA-N 1 1 497.592 2.970 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020912747 195246296 /nfs/dbraw/zinc/24/62/96/195246296.db2.gz UOKGBXOUTBANPT-YADHBBJMSA-N 1 1 497.592 2.970 50 0 JFAAMO C[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4ccc5c(c4)OCO5)n3)c2-c2ccco2)CC1 ZINC000020861822 195233664 /nfs/dbraw/zinc/23/36/64/195233664.db2.gz XWVAGKFVHDSLDZ-UHFFFAOYSA-N 1 1 458.478 2.706 50 0 JFAAMO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021018695 195267141 /nfs/dbraw/zinc/26/71/41/195267141.db2.gz UZZVDNSGWLQUGA-QFIPXVFZSA-N 1 1 460.500 2.921 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c(OC)c1OC ZINC000021039789 195270702 /nfs/dbraw/zinc/27/07/02/195270702.db2.gz KBZVGAQGLJYYOJ-UHFFFAOYSA-N 1 1 476.581 2.782 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c(OC)c1OC ZINC000021039789 195270704 /nfs/dbraw/zinc/27/07/04/195270704.db2.gz KBZVGAQGLJYYOJ-UHFFFAOYSA-N 1 1 476.581 2.782 50 0 JFAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)Cc1ccccc1 ZINC000021026881 195269138 /nfs/dbraw/zinc/26/91/38/195269138.db2.gz SHZSZCOMVXRYSA-HXUWFJFHSA-N 1 1 470.643 2.910 50 0 JFAAMO CN1c2cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021087768 195273829 /nfs/dbraw/zinc/27/38/29/195273829.db2.gz AIJIIFRIKOFXQA-RUZDIDTESA-N 1 1 475.637 2.960 50 0 JFAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1)Cc1ccccc1 ZINC000021148471 195281768 /nfs/dbraw/zinc/28/17/68/195281768.db2.gz HLVKOYQTIZWEAM-HXUWFJFHSA-N 1 1 468.627 2.704 50 0 JFAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000058130462 195365169 /nfs/dbraw/zinc/36/51/69/195365169.db2.gz GWHBICRZDQQSIW-UHFFFAOYSA-N 1 1 472.973 2.885 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000058159495 195368502 /nfs/dbraw/zinc/36/85/02/195368502.db2.gz HLPMHYUGSMHSSS-UWJYYQICSA-N 1 1 460.600 2.644 50 0 JFAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000036310816 519579693 /nfs/dbraw/zinc/57/96/93/519579693.db2.gz GDXFYIRCALXTPF-QFIPXVFZSA-N 1 1 476.021 2.739 50 0 JFAAMO CC(=O)NCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014743795 519666477 /nfs/dbraw/zinc/66/64/77/519666477.db2.gz GUTWXSGWZREDCZ-VQTJNVASSA-N 1 1 478.515 2.870 50 0 JFAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000022693752 519730599 /nfs/dbraw/zinc/73/05/99/519730599.db2.gz NGEOHWDCXFJCOY-CQSZACIVSA-N 1 1 464.415 2.521 50 0 JFAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCCO1 ZINC000036245900 520937622 /nfs/dbraw/zinc/93/76/22/520937622.db2.gz SITHYZYGBPWPBT-PKTZIBPZSA-N 1 1 472.630 2.862 50 0 JFAAMO CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033033325 521043277 /nfs/dbraw/zinc/04/32/77/521043277.db2.gz URJAIKAZCAQPRI-UHFFFAOYSA-N 1 1 487.670 2.538 50 0 JFAAMO CCC[C@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012246986 521312116 /nfs/dbraw/zinc/31/21/16/521312116.db2.gz MACHVWYNGKTXRH-UDYSNKEISA-N 1 1 467.614 2.908 50 0 JFAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000016400085 521511323 /nfs/dbraw/zinc/51/13/23/521511323.db2.gz XQSSCAGRKCTMCP-UHFFFAOYSA-N 1 1 463.625 2.777 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)CC1 ZINC000033250777 521666087 /nfs/dbraw/zinc/66/60/87/521666087.db2.gz OWESGXCLUIJLRB-CTDFXDFQSA-N 1 1 490.601 2.857 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CC[N@@H+](Cc1cccc(O)c1)CC2 ZINC000014878557 522015087 /nfs/dbraw/zinc/01/50/87/522015087.db2.gz OHYIRRVHVGWOGP-UHFFFAOYSA-N 1 1 459.546 2.819 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CC[N@H+](Cc1cccc(O)c1)CC2 ZINC000014878557 522015099 /nfs/dbraw/zinc/01/50/99/522015099.db2.gz OHYIRRVHVGWOGP-UHFFFAOYSA-N 1 1 459.546 2.819 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000020454028 522017953 /nfs/dbraw/zinc/01/79/53/522017953.db2.gz PDWIIVBCRJLXLI-UHFFFAOYSA-N 1 1 493.608 2.719 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1ccc(OC(C)C)cc1)CC2 ZINC000020454028 522017963 /nfs/dbraw/zinc/01/79/63/522017963.db2.gz PDWIIVBCRJLXLI-UHFFFAOYSA-N 1 1 493.608 2.719 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697844 522065590 /nfs/dbraw/zinc/06/55/90/522065590.db2.gz PDLWIVFRZKQRTF-XMMPIXPASA-N 1 1 452.530 2.954 50 0 JFAAMO 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COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000020534158 555805961 /nfs/dbraw/zinc/80/59/61/555805961.db2.gz XVJNYONHQSDEGM-QFIPXVFZSA-N 1 1 492.576 2.827 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000020557047 555808951 /nfs/dbraw/zinc/80/89/51/555808951.db2.gz YGIOWPXTRKRYSD-UHFFFAOYSA-N 1 1 473.625 2.944 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788334 555822549 /nfs/dbraw/zinc/82/25/49/555822549.db2.gz CDTYFAZDXMYXHJ-SFHVURJKSA-N 1 1 465.554 2.610 50 0 JFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788449 555822874 /nfs/dbraw/zinc/82/28/74/555822874.db2.gz MMZKYCPNZGYXHU-SFHVURJKSA-N 1 1 495.580 2.618 50 0 JFAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788449 555822877 /nfs/dbraw/zinc/82/28/77/555822877.db2.gz MMZKYCPNZGYXHU-SFHVURJKSA-N 1 1 495.580 2.618 50 0 JFAAMO CC(C)(C)N1C(=O)[C@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000020572327 555824188 /nfs/dbraw/zinc/82/41/88/555824188.db2.gz BFNZVVRVIRCIOX-QRYDCHBUSA-N 1 1 453.926 2.593 50 0 JFAAMO CCc1[nH+]ccn1CCC(=O)N1CC(=O)N(C(C)C)C[C@@H](OCc2cc(OC)cc(OC)c2)C1 ZINC000014541893 555832688 /nfs/dbraw/zinc/83/26/88/555832688.db2.gz VHHUHSDXUIBIFJ-QFIPXVFZSA-N 1 1 472.586 2.517 50 0 JFAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1 ZINC000014542777 555833734 /nfs/dbraw/zinc/83/37/34/555833734.db2.gz OCYDEKJNKANVJM-RCZVLFRGSA-N 1 1 463.626 2.515 50 0 JFAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014542777 555833735 /nfs/dbraw/zinc/83/37/35/555833735.db2.gz OCYDEKJNKANVJM-RCZVLFRGSA-N 1 1 463.626 2.515 50 0 JFAAMO O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014542777 555833736 /nfs/dbraw/zinc/83/37/36/555833736.db2.gz OCYDEKJNKANVJM-RCZVLFRGSA-N 1 1 463.626 2.515 50 0 JFAAMO C[N@@H+](Cc1ccc2nccnc2c1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000015003908 555848906 /nfs/dbraw/zinc/84/89/06/555848906.db2.gz ARMWYFRILGTLQH-UHFFFAOYSA-N 1 1 488.636 2.793 50 0 JFAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2)C(C)C ZINC000011909599 555856800 /nfs/dbraw/zinc/85/68/00/555856800.db2.gz VEKUVNYRVYGHIV-NRFANRHFSA-N 1 1 454.600 2.920 50 0 JFAAMO CCn1c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000015043773 555866066 /nfs/dbraw/zinc/86/60/66/555866066.db2.gz SPFMVPQFZHCSEX-UHFFFAOYSA-N 1 1 485.610 2.863 50 0 JFAAMO CCOC(=O)C1C(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000022064019 555868707 /nfs/dbraw/zinc/86/87/07/555868707.db2.gz UKTSYJNOSRZDAH-HSZRJFAPSA-N 1 1 468.598 2.972 50 0 JFAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103898 555876760 /nfs/dbraw/zinc/87/67/60/555876760.db2.gz YSQNKGOODNSPMG-IBGZPJMESA-N 1 1 458.628 2.504 50 0 JFAAMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103898 555876761 /nfs/dbraw/zinc/87/67/61/555876761.db2.gz YSQNKGOODNSPMG-IBGZPJMESA-N 1 1 458.628 2.504 50 0 JFAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)CC1 ZINC000022130604 555879711 /nfs/dbraw/zinc/87/97/11/555879711.db2.gz PXTBEGPGCCSJSA-UHFFFAOYSA-N 1 1 463.644 2.872 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](C[C@H](C)Cc2ccc4c(c2)OCO4)CC3)cc1 ZINC000011998212 555880655 /nfs/dbraw/zinc/88/06/55/555880655.db2.gz IWIHZSGUEBWSHC-LJQANCHMSA-N 1 1 491.592 2.725 50 0 JFAAMO NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000022198427 555884237 /nfs/dbraw/zinc/88/42/37/555884237.db2.gz DUWHNTFASOFIHV-UHFFFAOYSA-N 1 1 491.923 2.552 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc2c1OCO2 ZINC000012042652 555894985 /nfs/dbraw/zinc/89/49/85/555894985.db2.gz ZYAWVHNLTJONLF-UHFFFAOYSA-N 1 1 477.565 2.663 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc2c1OCO2 ZINC000012042652 555894988 /nfs/dbraw/zinc/89/49/88/555894988.db2.gz ZYAWVHNLTJONLF-UHFFFAOYSA-N 1 1 477.565 2.663 50 0 JFAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015507841 555912095 /nfs/dbraw/zinc/91/20/95/555912095.db2.gz ZIHFRJRDIBXMKL-KRWDZBQOSA-N 1 1 458.584 2.615 50 0 JFAAMO COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000022296635 555918235 /nfs/dbraw/zinc/91/82/35/555918235.db2.gz ICQJDOIGWVGMLD-HOTGVXAUSA-N 1 1 466.629 2.798 50 0 JFAAMO COCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000022296633 555918254 /nfs/dbraw/zinc/91/82/54/555918254.db2.gz ICQJDOIGWVGMLD-HZPDHXFCSA-N 1 1 466.629 2.798 50 0 JFAAMO COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NCC[N@H+]4CCCC[C@@H]4C)C3)n2)cc1OC ZINC000015726200 555963988 /nfs/dbraw/zinc/96/39/88/555963988.db2.gz YVPLBBZMVKEZGX-AZUAARDMSA-N 1 1 471.602 2.956 50 0 JFAAMO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)n2)cc1OC ZINC000015726438 555964832 /nfs/dbraw/zinc/96/48/32/555964832.db2.gz JXEZEBUVWKIZBZ-SFHVURJKSA-N 1 1 471.602 2.956 50 0 JFAAMO Cc1ccccc1NC(=O)CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2 ZINC000022909233 555966772 /nfs/dbraw/zinc/96/67/72/555966772.db2.gz DASSCOFAHSFACE-UHFFFAOYSA-N 1 1 456.612 2.884 50 0 JFAAMO O=C(CC[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000022921492 555975175 /nfs/dbraw/zinc/97/51/75/555975175.db2.gz IQVNDBQDYOMVAN-UHFFFAOYSA-N 1 1 467.545 2.537 50 0 JFAAMO CCCN(CCC)c1nn2c(ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2=O)s1 ZINC000015732820 555977038 /nfs/dbraw/zinc/97/70/38/555977038.db2.gz OWXWFTDPKJKGES-UHFFFAOYSA-N 1 1 454.600 2.735 50 0 JFAAMO C=C1C(N2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000015732959 555977659 /nfs/dbraw/zinc/97/76/59/555977659.db2.gz QXXQNFMSVXPYQC-UHFFFAOYSA-N 1 1 458.628 2.652 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000022935185 555988266 /nfs/dbraw/zinc/98/82/66/555988266.db2.gz YIVJCTFMPBSTED-UHFFFAOYSA-N 1 1 458.628 2.864 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000022937153 555989728 /nfs/dbraw/zinc/98/97/28/555989728.db2.gz UGCWRZFUHBSDCF-QHCPKHFHSA-N 1 1 493.681 2.869 50 0 JFAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OC(C)C)cc2)CC3)o1 ZINC000023128919 556018026 /nfs/dbraw/zinc/01/80/26/556018026.db2.gz ZQUWXDMYDXMRTQ-UHFFFAOYSA-N 1 1 453.543 2.793 50 0 JFAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000023129440 556018827 /nfs/dbraw/zinc/01/88/27/556018827.db2.gz DXTWDUJMZUBOSR-QGZVFWFLSA-N 1 1 453.518 2.740 50 0 JFAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000023129440 556018831 /nfs/dbraw/zinc/01/88/31/556018831.db2.gz DXTWDUJMZUBOSR-QGZVFWFLSA-N 1 1 453.518 2.740 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccccc4C(F)(F)F)c(=O)c3s2)CC1 ZINC000015863935 556038701 /nfs/dbraw/zinc/03/87/01/556038701.db2.gz FTMFHQZEKPPSRL-UHFFFAOYSA-N 1 1 466.489 2.652 50 0 JFAAMO Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCC[NH+]4CCOCC4)c3)n2)o1 ZINC000023336533 556046570 /nfs/dbraw/zinc/04/65/70/556046570.db2.gz HPUHIIQKJLSQIL-UHFFFAOYSA-N 1 1 452.559 2.980 50 0 JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000012569024 556070810 /nfs/dbraw/zinc/07/08/10/556070810.db2.gz QLUDMAHSXRPBTM-KRWDZBQOSA-N 1 1 499.605 2.540 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000012569024 556070814 /nfs/dbraw/zinc/07/08/14/556070814.db2.gz QLUDMAHSXRPBTM-KRWDZBQOSA-N 1 1 499.605 2.540 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000023762954 556087936 /nfs/dbraw/zinc/08/79/36/556087936.db2.gz SAYTXDCQDOOOER-UHFFFAOYSA-N 1 1 477.609 2.733 50 0 JFAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015958121 556089556 /nfs/dbraw/zinc/08/95/56/556089556.db2.gz GZKPHPQAXMDRIN-PNOLHXSVSA-N 1 1 459.502 2.506 50 0 biogenic JFAAMO O=C(CSc1nnnn1-c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023907488 556099650 /nfs/dbraw/zinc/09/96/50/556099650.db2.gz OTESFMSYKJFJFL-UHFFFAOYSA-N 1 1 458.975 2.556 50 0 JFAAMO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(I)c1O ZINC000016036785 556119640 /nfs/dbraw/zinc/11/96/40/556119640.db2.gz GKLMZBJETRFZDQ-KGLIPLIRSA-N 1 1 452.292 2.786 50 0 JFAAMO COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(I)c1O ZINC000016036785 556119643 /nfs/dbraw/zinc/11/96/43/556119643.db2.gz GKLMZBJETRFZDQ-KGLIPLIRSA-N 1 1 452.292 2.786 50 0 JFAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)Cn4cnc5c(C)cccc5c4=O)CC3)n2)cc1 ZINC000024823319 556156817 /nfs/dbraw/zinc/15/68/17/556156817.db2.gz JZDULUVDHUPACT-UHFFFAOYSA-N 1 1 486.576 2.840 50 0 JFAAMO O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025157214 556197488 /nfs/dbraw/zinc/19/74/88/556197488.db2.gz AVKWFNNVMPRPNA-UHFFFAOYSA-N 1 1 499.633 2.753 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000017288379 556251484 /nfs/dbraw/zinc/25/14/84/556251484.db2.gz BTJPVUHORPZINM-HXUWFJFHSA-N 1 1 481.622 2.852 50 0 JFAAMO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013062897 556258365 /nfs/dbraw/zinc/25/83/65/556258365.db2.gz HODCKZMRISSZCI-LJQANCHMSA-N 1 1 499.612 2.516 50 0 JFAAMO CCCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000013062897 556258369 /nfs/dbraw/zinc/25/83/69/556258369.db2.gz HODCKZMRISSZCI-LJQANCHMSA-N 1 1 499.612 2.516 50 0 JFAAMO O=C(c1nc2ccccn2c1CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(C2CCCCC2)CC1 ZINC000019336729 556342890 /nfs/dbraw/zinc/34/28/90/556342890.db2.gz DGPZMAYQROQNPZ-JOCHJYFZSA-N 1 1 450.631 2.705 50 0 JFAAMO O=C(c1nc2ccccn2c1CN1CC[N@H+]2CCC[C@@H]2C1)N1CCN(C2CCCCC2)CC1 ZINC000019336729 556342893 /nfs/dbraw/zinc/34/28/93/556342893.db2.gz DGPZMAYQROQNPZ-JOCHJYFZSA-N 1 1 450.631 2.705 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](Cc1cc(C)cc(C)c1)CC2 ZINC000019742017 556364763 /nfs/dbraw/zinc/36/47/63/556364763.db2.gz CQHUKVXKVGATQS-UHFFFAOYSA-N 1 1 463.582 2.549 50 0 JFAAMO Cc1c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000030646150 556368959 /nfs/dbraw/zinc/36/89/59/556368959.db2.gz LDOWGHGMBVOZQG-UHFFFAOYSA-N 1 1 473.503 2.932 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(OC)c(C)c2C)CC3)cc1 ZINC000019811748 556382431 /nfs/dbraw/zinc/38/24/31/556382431.db2.gz AZYDLEOKFQVYPG-UHFFFAOYSA-N 1 1 463.582 2.943 50 0 JFAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000019820987 556391501 /nfs/dbraw/zinc/39/15/01/556391501.db2.gz OMENTCHNCFBYCH-REWPJTCUSA-N 1 1 495.663 2.773 50 0 JFAAMO CCn1c2ccccc2c2cc(NC(=O)COCC(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000019823571 556393970 /nfs/dbraw/zinc/39/39/70/556393970.db2.gz QLPKJZMTDUFCPB-UHFFFAOYSA-N 1 1 452.555 2.608 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCn3cnc4sc5c(c4c3=O)CCCC5)CC2)c1 ZINC000031544336 556399154 /nfs/dbraw/zinc/39/91/54/556399154.db2.gz XGGFCXRXTLZKHW-UHFFFAOYSA-N 1 1 479.650 2.974 50 0 JFAAMO O=C([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000031808292 556405608 /nfs/dbraw/zinc/40/56/08/556405608.db2.gz DPBXXHAYZZZKQR-GOSISDBHSA-N 1 1 457.372 2.584 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2nc(-c3ccc(C)cc3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000032501623 556436964 /nfs/dbraw/zinc/43/69/64/556436964.db2.gz NKVVZILBAQEFES-HXUWFJFHSA-N 1 1 481.622 2.852 50 0 JFAAMO COc1cc(NC(=O)C[NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)cc(OC)c1OC ZINC000008694521 569593183 /nfs/dbraw/zinc/59/31/83/569593183.db2.gz GOKALKZZNSAERT-UHFFFAOYSA-N 1 1 458.544 2.703 50 0 JFAAMO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008718881 569597219 /nfs/dbraw/zinc/59/72/19/569597219.db2.gz CDLSCAIJHWTAOZ-HSZRJFAPSA-N 1 1 478.593 2.686 50 0 JFAAMO Cc1ccc(NC(=O)CN2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008718881 569597221 /nfs/dbraw/zinc/59/72/21/569597221.db2.gz CDLSCAIJHWTAOZ-HSZRJFAPSA-N 1 1 478.593 2.686 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414525 569599893 /nfs/dbraw/zinc/59/98/93/569599893.db2.gz XXRMFDNFIQNRJU-DEOSSOPVSA-N 1 1 486.613 2.825 50 0 JFAAMO COc1cc(C(=O)N2CCC(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000032974300 569605507 /nfs/dbraw/zinc/60/55/07/569605507.db2.gz RWDUEBKYYFVCKW-SFHVURJKSA-N 1 1 461.603 2.945 50 0 JFAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000032987919 569609710 /nfs/dbraw/zinc/60/97/10/569609710.db2.gz VFVDWTXGVPACGG-QFIPXVFZSA-N 1 1 457.596 2.839 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000032995152 569610108 /nfs/dbraw/zinc/61/01/08/569610108.db2.gz NQBPYPOIXDDHFR-UHFFFAOYSA-N 1 1 458.632 2.565 50 0 JFAAMO C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC000062620894 569613346 /nfs/dbraw/zinc/61/33/46/569613346.db2.gz FXBFGMDKJBPEME-MUUNZHRXSA-N 1 1 491.636 2.805 50 0 JFAAMO Cc1nn(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc3sccc3n21 ZINC000063502957 569615256 /nfs/dbraw/zinc/61/52/56/569615256.db2.gz DBHNUURYXSWBDD-UHFFFAOYSA-N 1 1 485.013 2.611 50 0 JFAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063671310 569615948 /nfs/dbraw/zinc/61/59/48/569615948.db2.gz SBANQNBPRNYTSS-HXUWFJFHSA-N 1 1 485.075 2.643 50 0 JFAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2ccccc2F)CC3)CC1 ZINC000034676718 569641568 /nfs/dbraw/zinc/64/15/68/569641568.db2.gz YFJVVYYDTLUVOB-UHFFFAOYSA-N 1 1 452.578 2.802 50 0 JFAAMO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677103 569641706 /nfs/dbraw/zinc/64/17/06/569641706.db2.gz BZPAHTHDAIDJKB-IBGZPJMESA-N 1 1 498.546 2.917 50 0 JFAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677094 569641708 /nfs/dbraw/zinc/64/17/08/569641708.db2.gz PUWYWQBSASAWMJ-LJQANCHMSA-N 1 1 484.519 2.527 50 0 JFAAMO O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064888896 569642398 /nfs/dbraw/zinc/64/23/98/569642398.db2.gz GSZDWJKCERCAPY-UHFFFAOYSA-N 1 1 481.622 2.555 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1OC ZINC000034692160 569646260 /nfs/dbraw/zinc/64/62/60/569646260.db2.gz MLDAIUCCHLEACR-QFIPXVFZSA-N 1 1 482.581 2.785 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1OC ZINC000034692160 569646261 /nfs/dbraw/zinc/64/62/61/569646261.db2.gz MLDAIUCCHLEACR-QFIPXVFZSA-N 1 1 482.581 2.785 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1OC ZINC000034692159 569646309 /nfs/dbraw/zinc/64/63/09/569646309.db2.gz MLDAIUCCHLEACR-JOCHJYFZSA-N 1 1 482.581 2.785 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)Nc4ccccc4)CCO3)CC2)cc1OC ZINC000034692159 569646310 /nfs/dbraw/zinc/64/63/10/569646310.db2.gz MLDAIUCCHLEACR-JOCHJYFZSA-N 1 1 482.581 2.785 50 0 JFAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC3CCCCCC3)c2)c1 ZINC000065025318 569650739 /nfs/dbraw/zinc/65/07/39/569650739.db2.gz OHARYCZIECKTFK-UHFFFAOYSA-N 1 1 487.626 2.753 50 0 JFAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000065102563 569664400 /nfs/dbraw/zinc/66/44/00/569664400.db2.gz HXXCANDNWVIDOR-UHFFFAOYSA-N 1 1 468.671 2.906 50 0 JFAAMO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](CCOC)CC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000034927971 569673374 /nfs/dbraw/zinc/67/33/74/569673374.db2.gz HTOMJZSSFUKKPN-JWQCQUIFSA-N 1 1 479.577 2.897 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)no1 ZINC000065319248 569673863 /nfs/dbraw/zinc/67/38/63/569673863.db2.gz VDSVLUHQEDPPKQ-SFHVURJKSA-N 1 1 461.588 2.515 50 0 JFAAMO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000035325236 569680709 /nfs/dbraw/zinc/68/07/09/569680709.db2.gz MOFZBXXAEMWVMM-QFIPXVFZSA-N 1 1 488.629 2.783 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4Br)c(=O)c3s2)CC1 ZINC000067225986 569680980 /nfs/dbraw/zinc/68/09/80/569680980.db2.gz AFISYOCYSVSNKA-UHFFFAOYSA-N 1 1 491.415 2.705 50 0 JFAAMO COC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067689627 569689925 /nfs/dbraw/zinc/68/99/25/569689925.db2.gz JTZCRRUOKPZKCL-QHCPKHFHSA-N 1 1 498.967 2.668 50 0 JFAAMO COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035421921 569692349 /nfs/dbraw/zinc/69/23/49/569692349.db2.gz AXYFBZGXZXWBMN-UHFFFAOYSA-N 1 1 464.610 2.624 50 0 JFAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000035422021 569692620 /nfs/dbraw/zinc/69/26/20/569692620.db2.gz RKGWUFYVZRIQTM-SFHVURJKSA-N 1 1 465.436 2.588 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000035422021 569692621 /nfs/dbraw/zinc/69/26/21/569692621.db2.gz RKGWUFYVZRIQTM-SFHVURJKSA-N 1 1 465.436 2.588 50 0 JFAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)ncn2)CC1 ZINC000072437879 569704262 /nfs/dbraw/zinc/70/42/62/569704262.db2.gz XDMZFEPEHMOCTK-UHFFFAOYSA-N 1 1 456.594 2.709 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561943 569704507 /nfs/dbraw/zinc/70/45/07/569704507.db2.gz PEBBRASFPSABDC-HXUWFJFHSA-N 1 1 453.631 2.800 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1ccccn1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793189 569743009 /nfs/dbraw/zinc/74/30/09/569743009.db2.gz VYKJQJBCHVUMKA-YKSBVNFPSA-N 1 1 477.634 2.823 50 0 JFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000035991352 569744361 /nfs/dbraw/zinc/74/43/61/569744361.db2.gz KOAPRDNSIGUQEG-AVRDEDQJSA-N 1 1 473.570 2.874 50 0 JFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000035991352 569744362 /nfs/dbraw/zinc/74/43/62/569744362.db2.gz KOAPRDNSIGUQEG-AVRDEDQJSA-N 1 1 473.570 2.874 50 0 JFAAMO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+]3CCc4ccccc4C3)C2=O)cc1OC ZINC000097993239 569748658 /nfs/dbraw/zinc/74/86/58/569748658.db2.gz HKYCPNPQZONTJZ-HYARGMPZSA-N 1 1 481.574 2.915 50 0 JFAAMO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+]3CCc4ccccc4C3)C2=O)cc1OC ZINC000097993239 569748659 /nfs/dbraw/zinc/74/86/59/569748659.db2.gz HKYCPNPQZONTJZ-HYARGMPZSA-N 1 1 481.574 2.915 50 0 JFAAMO C[NH+](C)CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C1CC1)C(=S)NC1CC1 ZINC000036032208 569752231 /nfs/dbraw/zinc/75/22/31/569752231.db2.gz JQASPNQGLFPUCM-UHFFFAOYSA-N 1 1 461.657 2.592 50 0 JFAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000100172592 569754744 /nfs/dbraw/zinc/75/47/44/569754744.db2.gz TVWNYVJJQLXVPO-JOCHJYFZSA-N 1 1 462.550 2.536 50 0 JFAAMO COCCC[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H](O)COC(C)C ZINC000036249704 569758021 /nfs/dbraw/zinc/75/80/21/569758021.db2.gz IOIGGBNMJOLPBQ-OAQYLSRUSA-N 1 1 465.566 2.942 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000036342377 569765724 /nfs/dbraw/zinc/76/57/24/569765724.db2.gz HFAGTRCOFJKPPV-JOCHJYFZSA-N 1 1 450.539 2.579 50 0 JFAAMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000036396968 569775155 /nfs/dbraw/zinc/77/51/55/569775155.db2.gz DIGTUVLAGXNQFW-FQEVSTJZSA-N 1 1 451.951 2.763 50 0 JFAAMO CCc1ccccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)N1CC[NH+](C)CC1)C(=O)CO2 ZINC000037512899 569792511 /nfs/dbraw/zinc/79/25/11/569792511.db2.gz QEIOOUXARPAEAU-UHFFFAOYSA-N 1 1 479.577 2.790 50 0 JFAAMO O=C(Nc1cccc(S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000040122730 569816775 /nfs/dbraw/zinc/81/67/75/569816775.db2.gz WGCJDPFZHMPLDU-UTKZUKDTSA-N 1 1 475.998 2.902 50 0 JFAAMO Cc1ccnc(NC(=O)C2CC[NH+](CC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000040149595 569819261 /nfs/dbraw/zinc/81/92/61/569819261.db2.gz CMRXBHHNSBCLIN-UHFFFAOYSA-N 1 1 457.962 2.791 50 0 JFAAMO O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000040150150 569819545 /nfs/dbraw/zinc/81/95/45/569819545.db2.gz UMGLREFEHRQFMJ-XMMPIXPASA-N 1 1 453.608 2.889 50 0 JFAAMO CC(C)C[N@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040158148 569821760 /nfs/dbraw/zinc/82/17/60/569821760.db2.gz JYFYLCNYYDTVES-HNNXBMFYSA-N 1 1 478.478 2.854 50 0 JFAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@H+]3CCCC[C@@H]3C)cc21 ZINC000040450363 569828312 /nfs/dbraw/zinc/82/83/12/569828312.db2.gz XXASQCLVGKNBEM-AWEZNQCLSA-N 1 1 458.422 2.901 50 0 JFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000104938327 569847509 /nfs/dbraw/zinc/84/75/09/569847509.db2.gz KOAPRDNSIGUQEG-XMSQKQJNSA-N 1 1 473.570 2.874 50 0 JFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000104938327 569847511 /nfs/dbraw/zinc/84/75/11/569847511.db2.gz KOAPRDNSIGUQEG-XMSQKQJNSA-N 1 1 473.570 2.874 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000105003745 569849506 /nfs/dbraw/zinc/84/95/06/569849506.db2.gz AWHYYLSIYFRKSG-NZQKXSOJSA-N 1 1 476.639 2.989 50 0 JFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 ZINC000105265604 569852769 /nfs/dbraw/zinc/85/27/69/569852769.db2.gz FQVLELOTJWUMOB-NRFQZDPCSA-N 1 1 453.587 2.708 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)COC ZINC000169680255 569870292 /nfs/dbraw/zinc/87/02/92/569870292.db2.gz WMOXLSGGRHMALN-DENIHFKCSA-N 1 1 480.602 2.738 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169681545 569870766 /nfs/dbraw/zinc/87/07/66/569870766.db2.gz LIDSWNZLLMPXGT-NFBKMPQASA-N 1 1 476.639 2.907 50 0 JFAAMO COC(=O)C[C@@H](c1cccs1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225422514 569996001 /nfs/dbraw/zinc/99/60/01/569996001.db2.gz PMMHCGNEYSCAGT-RYRKJORJSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COC(=O)C[C@@H](c1cccs1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225422514 569996003 /nfs/dbraw/zinc/99/60/03/569996003.db2.gz PMMHCGNEYSCAGT-RYRKJORJSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COC(=O)C[C@H](c1cccc(O)c1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427469 569996297 /nfs/dbraw/zinc/99/62/97/569996297.db2.gz YPFGOJCXWLUXKL-PLMTUMEDSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO COC(=O)C[C@H](c1cccc(O)c1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225427469 569996299 /nfs/dbraw/zinc/99/62/99/569996299.db2.gz YPFGOJCXWLUXKL-PLMTUMEDSA-N 1 1 492.528 2.527 50 0 biogenic JFAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000230025555 570043706 /nfs/dbraw/zinc/04/37/06/570043706.db2.gz KOAPRDNSIGUQEG-GCJKJVERSA-N 1 1 473.570 2.874 50 0 JFAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000230025555 570043707 /nfs/dbraw/zinc/04/37/07/570043707.db2.gz KOAPRDNSIGUQEG-GCJKJVERSA-N 1 1 473.570 2.874 50 0 JFAAMO C[N@H+](CCC(=O)NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000244842319 570054292 /nfs/dbraw/zinc/05/42/92/570054292.db2.gz UOKGBXOUTBANPT-FCHUYYIVSA-N 1 1 497.592 2.970 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000244842319 570054294 /nfs/dbraw/zinc/05/42/94/570054294.db2.gz UOKGBXOUTBANPT-FCHUYYIVSA-N 1 1 497.592 2.970 50 0 JFAAMO COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000245279152 570061232 /nfs/dbraw/zinc/06/12/32/570061232.db2.gz FKRYEOOBZZZMIE-XMSQKQJNSA-N 1 1 460.596 2.733 50 0 JFAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000245289607 570062631 /nfs/dbraw/zinc/06/26/31/570062631.db2.gz CZYNOWLCDXWTMI-ZLGUVYLKSA-N 1 1 490.651 2.990 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](O)COC ZINC000245325462 570064306 /nfs/dbraw/zinc/06/43/06/570064306.db2.gz AAZBHMCZGGDYGF-PGRDOPGGSA-N 1 1 462.612 2.981 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)no1 ZINC000248071909 570073602 /nfs/dbraw/zinc/07/36/02/570073602.db2.gz XSMYXSITIWYMKE-ICSRJNTNSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)no1 ZINC000248071909 570073603 /nfs/dbraw/zinc/07/36/03/570073603.db2.gz XSMYXSITIWYMKE-ICSRJNTNSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000248071909 570073604 /nfs/dbraw/zinc/07/36/04/570073604.db2.gz XSMYXSITIWYMKE-ICSRJNTNSA-N 1 1 459.616 2.538 50 0 JFAAMO CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]2CCCC[C@H]12 ZINC000248097674 570073894 /nfs/dbraw/zinc/07/38/94/570073894.db2.gz DFHQULLQMGVPFE-ZTFGCOKTSA-N 1 1 457.040 2.649 50 0 JFAAMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000252523060 570083119 /nfs/dbraw/zinc/08/31/19/570083119.db2.gz BTHXAPUXVRAWKI-BVSLBCMMSA-N 1 1 456.587 2.523 50 0 JFAAMO COc1ccc([C@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400500 570096605 /nfs/dbraw/zinc/09/66/05/570096605.db2.gz DYHKAMUZHQSJCV-CLWLKPMESA-N 1 1 473.614 2.955 50 0 biogenic JFAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586307 570171599 /nfs/dbraw/zinc/17/15/99/570171599.db2.gz SMJUTDPWVSPTSJ-LSDHHAIUSA-N 1 1 452.486 2.703 50 0 biogenic JFAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000263586307 570171600 /nfs/dbraw/zinc/17/16/00/570171600.db2.gz SMJUTDPWVSPTSJ-LSDHHAIUSA-N 1 1 452.486 2.703 50 0 biogenic JFAAMO COc1ccccc1[C@]1(CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CC(=O)N(C)C1=O ZINC000299758067 570174352 /nfs/dbraw/zinc/17/43/52/570174352.db2.gz AJCZBDPBMBUMEY-XMMPIXPASA-N 1 1 455.580 2.508 50 0 JFAAMO CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761948 570174687 /nfs/dbraw/zinc/17/46/87/570174687.db2.gz CEOAZTLXFCEMBS-WUFINQPMSA-N 1 1 474.605 2.921 50 0 JFAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4cnc5ccccn5c4=O)CC3)cc2)cn1 ZINC000299767251 570175363 /nfs/dbraw/zinc/17/53/63/570175363.db2.gz QDQRBCVDVCCCNR-UHFFFAOYSA-N 1 1 486.576 2.744 50 0 JFAAMO COc1ccc([C@@]2(CC(=O)N(C)C[C@@H]3CC[N@@H+](CC(C)C)C3)CC(=O)N(C3CC3)C2=O)cc1 ZINC000299771563 570175879 /nfs/dbraw/zinc/17/58/79/570175879.db2.gz QYUPJIHYOKRQEZ-AFMDSPMNSA-N 1 1 455.599 2.681 50 0 JFAAMO COc1cccc(C[NH+]2CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC2)c1OC ZINC000299794185 570177155 /nfs/dbraw/zinc/17/71/55/570177155.db2.gz IJFKMQQJIJKREZ-IBGZPJMESA-N 1 1 465.550 2.801 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(C)cc21 ZINC000002411351 194160855 /nfs/dbraw/zinc/16/08/55/194160855.db2.gz NRXWGMOHUSCFRG-QLEBEQNUSA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(C)cc21 ZINC000002411351 194160858 /nfs/dbraw/zinc/16/08/58/194160858.db2.gz NRXWGMOHUSCFRG-QLEBEQNUSA-N 1 1 479.558 2.891 50 0 JFAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1 ZINC000003007077 194202034 /nfs/dbraw/zinc/20/20/34/194202034.db2.gz MFFBXWMPUZIICF-UHFFFAOYSA-N 1 1 490.651 2.898 50 0 JFAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1 ZINC000003007077 194202036 /nfs/dbraw/zinc/20/20/36/194202036.db2.gz MFFBXWMPUZIICF-UHFFFAOYSA-N 1 1 490.651 2.898 50 0 JFAAMO C[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)Cc1ccccc1 ZINC000003047688 194217450 /nfs/dbraw/zinc/21/74/50/194217450.db2.gz WTPLJYRLMRCVFP-UHFFFAOYSA-N 1 1 496.633 2.955 50 0 JFAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009883884 195012309 /nfs/dbraw/zinc/01/23/09/195012309.db2.gz DPLSORZUWCCAEB-GOSISDBHSA-N 1 1 480.565 2.930 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000012594487 195042957 /nfs/dbraw/zinc/04/29/57/195042957.db2.gz KHDJSOCRSKSAJI-UHFFFAOYSA-N 1 1 482.588 2.896 50 0 JFAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012904887 195179070 /nfs/dbraw/zinc/17/90/70/195179070.db2.gz SWZBYMBYWQGSPP-GOSISDBHSA-N 1 1 453.461 2.839 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020610481 195183646 /nfs/dbraw/zinc/18/36/46/195183646.db2.gz RPMGTRBJSCHNNU-VLMJQKPGSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)c3c2)CC1 ZINC000020682086 195204079 /nfs/dbraw/zinc/20/40/79/195204079.db2.gz OJMIIJCFFRDAQP-SFHVURJKSA-N 1 1 474.627 2.553 50 0 JFAAMO COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000020713927 195205825 /nfs/dbraw/zinc/20/58/25/195205825.db2.gz QZRKCVPLJHJRGJ-KRWDZBQOSA-N 1 1 450.539 2.648 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cccc(OC)c4)c(OC)cc(=O)n3CC2)cc1 ZINC000020777860 195224156 /nfs/dbraw/zinc/22/41/56/195224156.db2.gz OYXMFDNUFUOGHW-UHFFFAOYSA-N 1 1 477.561 2.862 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cccc(OC)c4)c(OC)cc(=O)n3CC2)cc1 ZINC000020777860 195224158 /nfs/dbraw/zinc/22/41/58/195224158.db2.gz OYXMFDNUFUOGHW-UHFFFAOYSA-N 1 1 477.561 2.862 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000020912270 195245855 /nfs/dbraw/zinc/24/58/55/195245855.db2.gz OIFKQYQGXLLKAK-UXHICEINSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000020912270 195245858 /nfs/dbraw/zinc/24/58/58/195245858.db2.gz OIFKQYQGXLLKAK-UXHICEINSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCCn3nc(C)n4c5ccoc5cc4c3=O)CC2)c1C ZINC000020866595 195234451 /nfs/dbraw/zinc/23/44/51/195234451.db2.gz OASKFSXQRHBASH-UHFFFAOYSA-N 1 1 490.608 2.886 50 0 JFAAMO O=C(CCc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021024199 195268762 /nfs/dbraw/zinc/26/87/62/195268762.db2.gz XJPQTDCHIKPZPA-UHFFFAOYSA-N 1 1 499.575 2.742 50 0 JFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000021526693 195305125 /nfs/dbraw/zinc/30/51/25/195305125.db2.gz JSMQJTXUXSBYKY-CHWSQXEVSA-N 1 1 456.513 2.697 50 0 JFAAMO COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000021794666 195322103 /nfs/dbraw/zinc/32/21/03/195322103.db2.gz HUKLMUIARSEDCX-UHFFFAOYSA-N 1 1 466.007 2.867 50 0 JFAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945130 519440858 /nfs/dbraw/zinc/44/08/58/519440858.db2.gz XUPWCXWMKSTVII-UHFFFAOYSA-N 1 1 478.703 2.574 50 0 JFAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000045945285 519440925 /nfs/dbraw/zinc/44/09/25/519440925.db2.gz DSEVZZBWMQNRQK-JOCHJYFZSA-N 1 1 478.703 2.572 50 0 JFAAMO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000045945285 519440930 /nfs/dbraw/zinc/44/09/30/519440930.db2.gz DSEVZZBWMQNRQK-JOCHJYFZSA-N 1 1 478.703 2.572 50 0 JFAAMO CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000020419358 519733110 /nfs/dbraw/zinc/73/31/10/519733110.db2.gz BXQOGRZUFHMDJJ-UHFFFAOYSA-N 1 1 466.003 2.750 50 0 JFAAMO CC(C)C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)[NH+]1CCOCC1 ZINC000022611773 519776544 /nfs/dbraw/zinc/77/65/44/519776544.db2.gz ZLGPONHUFMOOIU-DEOSSOPVSA-N 1 1 491.698 2.829 50 0 JFAAMO CCCn1nnc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+](C)C4CCCCC4)C3)ccc21 ZINC000033262725 519897306 /nfs/dbraw/zinc/89/73/06/519897306.db2.gz UXVSCCDWJSBTKA-IBGZPJMESA-N 1 1 490.674 2.623 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036208284 520151708 /nfs/dbraw/zinc/15/17/08/520151708.db2.gz SBBHIEHMQSITDA-JOCHJYFZSA-N 1 1 460.619 2.719 50 0 JFAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1OC ZINC000014987335 520698858 /nfs/dbraw/zinc/69/88/58/520698858.db2.gz QGJKFQDAZPAYBU-UHFFFAOYSA-N 1 1 467.545 2.742 50 0 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C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)C1 ZINC000033131492 524222202 /nfs/dbraw/zinc/22/22/02/524222202.db2.gz WNROSLLFRUTAKF-MRXNPFEDSA-N 1 1 460.065 2.929 50 0 JFAAMO C[C@@H]1CCc2c(sc(NC(=O)CN3CC[NH+](CCO)CC3)c2C(=O)Nc2ccccc2F)C1 ZINC000022635462 524723178 /nfs/dbraw/zinc/72/31/78/524723178.db2.gz QGTTZLQQXHGNRG-MRXNPFEDSA-N 1 1 474.602 2.813 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)c3cccc(Cl)c3)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059603 524898046 /nfs/dbraw/zinc/89/80/46/524898046.db2.gz GNRIQUREYJQZEP-FCHUYYIVSA-N 1 1 471.985 2.987 50 0 JFAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012219233 524899896 /nfs/dbraw/zinc/89/98/96/524899896.db2.gz BYALXDQFKXOVHM-IBGZPJMESA-N 1 1 461.566 2.603 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288323 525046338 /nfs/dbraw/zinc/04/63/38/525046338.db2.gz OPWPMHCKMWHFLV-XXBNENTESA-N 1 1 463.607 2.828 50 0 JFAAMO COc1ccc([C@@H]2c3c4ccccc4n(C)c3C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000021880252 525278915 /nfs/dbraw/zinc/27/89/15/525278915.db2.gz WBQAPXUAHRJLHP-RUZDIDTESA-N 1 1 476.577 2.571 50 0 JFAAMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2cc(C)cc(C)c2)cc1 ZINC000019943736 525504009 /nfs/dbraw/zinc/50/40/09/525504009.db2.gz UNCGFQAJQINNOL-UHFFFAOYSA-N 1 1 459.612 2.646 50 0 JFAAMO Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021532835 525663812 /nfs/dbraw/zinc/66/38/12/525663812.db2.gz OUMSCICMCRJCIJ-UHFFFAOYSA-N 1 1 473.021 2.609 50 0 JFAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@H+](Cc2ccc(O)cc2)C3)c1 ZINC000014742181 526110873 /nfs/dbraw/zinc/11/08/73/526110873.db2.gz ITEUJDISBRIMMH-JOCHJYFZSA-N 1 1 476.577 2.801 50 0 JFAAMO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CC[N@@H+](Cc2ccc(O)cc2)C3)c1 ZINC000014742181 526110877 /nfs/dbraw/zinc/11/08/77/526110877.db2.gz ITEUJDISBRIMMH-JOCHJYFZSA-N 1 1 476.577 2.801 50 0 JFAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2)[C@H]1CCCO1 ZINC000014988139 526464847 /nfs/dbraw/zinc/46/48/47/526464847.db2.gz BEYLLMPSJNONTL-XMMPIXPASA-N 1 1 457.578 2.745 50 0 JFAAMO O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035429402 526570799 /nfs/dbraw/zinc/57/07/99/526570799.db2.gz SKZCZJSUNQBGON-DEOSSOPVSA-N 1 1 462.575 2.650 50 0 JFAAMO c1nc2c3c4c(c(N5CCOCC5)nc3sc2c(NCCC[NH+]2CCOCC2)n1)CCC4 ZINC000020394516 526608523 /nfs/dbraw/zinc/60/85/23/526608523.db2.gz JUPCQZALGSNWQY-UHFFFAOYSA-N 1 1 454.600 2.699 50 0 JFAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000022808902 526771090 /nfs/dbraw/zinc/77/10/90/526771090.db2.gz IXPZZIWFNFGNHE-UHFFFAOYSA-N 1 1 450.583 2.994 50 0 JFAAMO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1)c1nnc(COc2ccc(F)cc2)s1 ZINC000033032287 527162292 /nfs/dbraw/zinc/16/22/92/527162292.db2.gz PJMLSYJZYFBNKW-UHFFFAOYSA-N 1 1 499.568 2.961 50 0 JFAAMO Cn1cc(CCC(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000014978722 527182194 /nfs/dbraw/zinc/18/21/94/527182194.db2.gz PXURPPZFMOOSFY-QHCPKHFHSA-N 1 1 451.615 2.716 50 0 JFAAMO COc1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(I)c1O ZINC000002118399 554054528 /nfs/dbraw/zinc/05/45/28/554054528.db2.gz GKLMZBJETRFZDQ-UONOGXRCSA-N 1 1 452.292 2.786 50 0 biogenic JFAAMO COc1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(I)c1O ZINC000002118399 554054532 /nfs/dbraw/zinc/05/45/32/554054532.db2.gz GKLMZBJETRFZDQ-UONOGXRCSA-N 1 1 452.292 2.786 50 0 biogenic JFAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000002312007 554143867 /nfs/dbraw/zinc/14/38/67/554143867.db2.gz WFRMMOYPLVQJHQ-GFCCVEGCSA-N 1 1 466.332 2.883 50 0 JFAAMO CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[N@@H+](C(C)C)C2 ZINC000008793070 554686459 /nfs/dbraw/zinc/68/64/59/554686459.db2.gz HAGOSKVCTSPTBD-UHFFFAOYSA-N 1 1 455.536 2.926 50 0 JFAAMO CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CC[N@H+](C(C)C)C2 ZINC000008793070 554686460 /nfs/dbraw/zinc/68/64/60/554686460.db2.gz HAGOSKVCTSPTBD-UHFFFAOYSA-N 1 1 455.536 2.926 50 0 JFAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc21 ZINC000008811274 554692424 /nfs/dbraw/zinc/69/24/24/554692424.db2.gz ADDDYWRFGJDQRC-SFHVURJKSA-N 1 1 476.643 2.801 50 0 JFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008855728 554751670 /nfs/dbraw/zinc/75/16/70/554751670.db2.gz HHDDOLQCDYQCMB-LJQANCHMSA-N 1 1 482.002 2.911 50 0 JFAAMO CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000009127366 554922444 /nfs/dbraw/zinc/92/24/44/554922444.db2.gz QRJJNBWWMIQLRR-UHFFFAOYSA-N 1 1 487.626 2.659 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009266940 555043086 /nfs/dbraw/zinc/04/30/86/555043086.db2.gz FMGVVSBXTFKUNG-UAKAABGRSA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000009266940 555043089 /nfs/dbraw/zinc/04/30/89/555043089.db2.gz FMGVVSBXTFKUNG-UAKAABGRSA-N 1 1 465.893 2.697 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CCc2c(C)noc2C)c1 ZINC000009671975 555392939 /nfs/dbraw/zinc/39/29/39/555392939.db2.gz GJVQAWDICKDLLX-UHFFFAOYSA-N 1 1 477.631 2.645 50 0 JFAAMO O=C1C[C@H](NCc2ccccc2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3)C2=O)cc1 ZINC000013388235 555393847 /nfs/dbraw/zinc/39/38/47/555393847.db2.gz UQGODVHVKHPRJX-ZEQRLZLVSA-N 1 1 482.540 2.530 50 0 JFAAMO Cc1sc2nc(SCC(=O)NCCC[NH+]3CCOCC3)n(-c3ccccc3)c(=O)c2c1C ZINC000013400550 555395831 /nfs/dbraw/zinc/39/58/31/555395831.db2.gz FAUOLJOEMSOZEP-UHFFFAOYSA-N 1 1 472.636 2.995 50 0 JFAAMO CC[N@@H+](CCCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O)Cc1ccccc1 ZINC000009775735 555492925 /nfs/dbraw/zinc/49/29/25/555492925.db2.gz OGKPFHSWBHIAOL-UHFFFAOYSA-N 1 1 497.665 3.000 50 0 JFAAMO COc1ccc(-c2cc(C(=O)NCC3([NH+]4CCOCC4)CCCC3)cc(-n3cnnn3)c2)cc1 ZINC000019836838 555507120 /nfs/dbraw/zinc/50/71/20/555507120.db2.gz WLXCVIMTUGBDMT-UHFFFAOYSA-N 1 1 462.554 2.713 50 0 JFAAMO C[C@H]1c2nc3ccccc3n2[C@H](CC(=O)NCCC[NH+]2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000013574699 555513049 /nfs/dbraw/zinc/51/30/49/555513049.db2.gz GAWFZRZYFRTDMZ-GBXCKJPGSA-N 1 1 475.593 2.909 50 0 JFAAMO C[C@@H]1c2nc3ccccc3n2[C@@H](CC(=O)NCCC[NH+]2CCOCC2)C(=O)N1Cc1ccccc1 ZINC000013574716 555513141 /nfs/dbraw/zinc/51/31/41/555513141.db2.gz GAWFZRZYFRTDMZ-YKSBVNFPSA-N 1 1 475.593 2.909 50 0 JFAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CC[NH+](CCO)CC1)OC1(CCCCC1)CC3 ZINC000013627399 555539534 /nfs/dbraw/zinc/53/95/34/555539534.db2.gz NLTGGQNWVUCYMM-UHFFFAOYSA-N 1 1 454.567 2.808 50 0 JFAAMO COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019928883 555545200 /nfs/dbraw/zinc/54/52/00/555545200.db2.gz KLYRNLYEXXNWOM-UHFFFAOYSA-N 1 1 471.623 2.749 50 0 JFAAMO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000020030579 555605529 /nfs/dbraw/zinc/60/55/29/555605529.db2.gz RJFHMRASLALBMB-UHFFFAOYSA-N 1 1 480.030 2.998 50 0 JFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000013811641 555628391 /nfs/dbraw/zinc/62/83/91/555628391.db2.gz PTZRFZNTGHBZIJ-RQXXJAGISA-N 1 1 452.308 2.880 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020109005 555644247 /nfs/dbraw/zinc/64/42/47/555644247.db2.gz UCGNAQLAYWMPNH-JWQCQUIFSA-N 1 1 464.610 2.750 50 0 JFAAMO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCOCC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114148 555651811 /nfs/dbraw/zinc/65/18/11/555651811.db2.gz HZWGPAFUNUSVGZ-YADHBBJMSA-N 1 1 473.595 2.514 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114150 555651896 /nfs/dbraw/zinc/65/18/96/555651896.db2.gz HZWGPAFUNUSVGZ-VXKWHMMOSA-N 1 1 473.595 2.514 50 0 JFAAMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000014093325 555685784 /nfs/dbraw/zinc/68/57/84/555685784.db2.gz HIYNDROYEUHNPI-WNCULLNHSA-N 1 1 456.546 2.998 50 0 JFAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000020191654 555692741 /nfs/dbraw/zinc/69/27/41/555692741.db2.gz UDRHRFVJXOUUQK-NRFANRHFSA-N 1 1 459.568 2.715 50 0 JFAAMO CCOC(=O)C1C(C[NH2+]CCc2cc(OC)c(OC)c(OC)c2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283227 555752773 /nfs/dbraw/zinc/75/27/73/555752773.db2.gz IGAVBFKNVMZJFY-QFIPXVFZSA-N 1 1 469.538 2.716 50 0 JFAAMO CCOC(=O)C1C(C[NH2+]CCc2cc(OC)c(OC)c(OC)c2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283224 555752881 /nfs/dbraw/zinc/75/28/81/555752881.db2.gz IGAVBFKNVMZJFY-JOCHJYFZSA-N 1 1 469.538 2.716 50 0 JFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014334629 555795089 /nfs/dbraw/zinc/79/50/89/555795089.db2.gz JSMQJTXUXSBYKY-BETUJISGSA-N 1 1 456.513 2.697 50 0 JFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014334629 555795091 /nfs/dbraw/zinc/79/50/91/555795091.db2.gz JSMQJTXUXSBYKY-BETUJISGSA-N 1 1 456.513 2.697 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nn4cc(-c5ccc(OC)cc5)nc4s3)C2)CC1 ZINC000020531946 555799681 /nfs/dbraw/zinc/79/96/81/555799681.db2.gz OQJJKLYMCUIYOO-SFHVURJKSA-N 1 1 454.600 2.847 50 0 JFAAMO Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCC[NH+]5CCN(C)CC5)C4)sc3n2)cc1 ZINC000020531964 555800047 /nfs/dbraw/zinc/80/00/47/555800047.db2.gz GPCPZIMEBFYVKX-NRFANRHFSA-N 1 1 481.670 2.736 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020563103 555814835 /nfs/dbraw/zinc/81/48/35/555814835.db2.gz BOFUDCZIYXBYPW-HXUWFJFHSA-N 1 1 450.587 2.970 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccc4ncccc24)CC3)cc1 ZINC000020599581 555841246 /nfs/dbraw/zinc/84/12/46/555841246.db2.gz CCXDLLHMRBPEMV-UHFFFAOYSA-N 1 1 456.550 2.866 50 0 JFAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020601487 555842250 /nfs/dbraw/zinc/84/22/50/555842250.db2.gz QPLUYVJIXHVKRS-MSOLQXFVSA-N 1 1 469.028 2.997 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020601487 555842252 /nfs/dbraw/zinc/84/22/52/555842252.db2.gz QPLUYVJIXHVKRS-MSOLQXFVSA-N 1 1 469.028 2.997 50 0 JFAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000011870656 555846782 /nfs/dbraw/zinc/84/67/82/555846782.db2.gz KRFSBHJGWHJIAU-KRWDZBQOSA-N 1 1 465.529 2.813 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000020776004 555847715 /nfs/dbraw/zinc/84/77/15/555847715.db2.gz YPUPDMNQSRQLHU-UHFFFAOYSA-N 1 1 479.581 2.735 50 0 JFAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011966255 555871929 /nfs/dbraw/zinc/87/19/29/555871929.db2.gz MYHHAUOVBWMNHP-IBGZPJMESA-N 1 1 461.566 2.918 50 0 JFAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1 ZINC000011998455 555880983 /nfs/dbraw/zinc/88/09/83/555880983.db2.gz WQOZBKZBDGLBBP-LJQANCHMSA-N 1 1 495.623 2.550 50 0 JFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012039836 555892581 /nfs/dbraw/zinc/89/25/81/555892581.db2.gz GPUDNLPACRRPAK-VQHVLOKHSA-N 1 1 461.566 2.596 50 0 JFAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(OCCO)cc1)CC2 ZINC000012040066 555892841 /nfs/dbraw/zinc/89/28/41/555892841.db2.gz MPWPDOFTKAHTSE-FQEVSTJZSA-N 1 1 463.582 2.518 50 0 JFAAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012049515 555895651 /nfs/dbraw/zinc/89/56/51/555895651.db2.gz OWFNRWDINVZANO-LJQANCHMSA-N 1 1 460.629 2.706 50 0 JFAAMO COc1ccc(CCNC(=O)CC[C@H]2C[N@@H+](CC(C)C)CC[C@H]2N2CCOCC2)cc1OC ZINC000012134127 555912761 /nfs/dbraw/zinc/91/27/61/555912761.db2.gz MVHRLZVIZCPZQV-XZOQPEGZSA-N 1 1 461.647 2.821 50 0 JFAAMO CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000015677801 555941817 /nfs/dbraw/zinc/94/18/17/555941817.db2.gz MOFZBXXAEMWVMM-JOCHJYFZSA-N 1 1 488.629 2.783 50 0 JFAAMO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000015679435 555944751 /nfs/dbraw/zinc/94/47/51/555944751.db2.gz JNSXMUFMGHAPKC-UHFFFAOYSA-N 1 1 468.642 2.660 50 0 biogenic JFAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)nc2C ZINC000015724136 555959781 /nfs/dbraw/zinc/95/97/81/555959781.db2.gz YOFUWLNLSHFQAD-UHFFFAOYSA-N 1 1 456.550 2.543 50 0 JFAAMO CCOC(=O)[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)no3)CC2)C1 ZINC000015726331 555964493 /nfs/dbraw/zinc/96/44/93/555964493.db2.gz WFJQYZAIXDWWJV-IBGZPJMESA-N 1 1 486.569 2.768 50 0 JFAAMO CCOc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022908948 555965978 /nfs/dbraw/zinc/96/59/78/555965978.db2.gz CRFLSBMWEWSMOQ-UHFFFAOYSA-N 1 1 472.611 2.584 50 0 JFAAMO Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022909058 555966469 /nfs/dbraw/zinc/96/64/69/555966469.db2.gz XTFAHNNACWAOIN-UHFFFAOYSA-N 1 1 456.612 2.802 50 0 JFAAMO COc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)c1 ZINC000022909215 555966839 /nfs/dbraw/zinc/96/68/39/555966839.db2.gz XPOITULALAQABR-UHFFFAOYSA-N 1 1 472.611 2.584 50 0 JFAAMO O=C(CN1CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1)N1CCCCC1 ZINC000022912314 555968077 /nfs/dbraw/zinc/96/80/77/555968077.db2.gz XLNXDZKDRVSPDT-VWLOTQADSA-N 1 1 451.611 2.784 50 0 JFAAMO COc1ccc2c(c1)C[C@@H](C(=O)NCCC[N@@H+](CCN1CCOCC1)Cc1cccs1)CO2 ZINC000022938016 555991067 /nfs/dbraw/zinc/99/10/67/555991067.db2.gz PSFCJJCBLOTAPM-OAQYLSRUSA-N 1 1 473.639 2.649 50 0 JFAAMO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000012526978 555995336 /nfs/dbraw/zinc/99/53/36/555995336.db2.gz CIWCOQHHRVNTEC-UHFFFAOYSA-N 1 1 469.007 2.606 50 0 JFAAMO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000012526978 555995340 /nfs/dbraw/zinc/99/53/40/555995340.db2.gz CIWCOQHHRVNTEC-UHFFFAOYSA-N 1 1 469.007 2.606 50 0 JFAAMO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000015784495 556003490 /nfs/dbraw/zinc/00/34/90/556003490.db2.gz JTTJVXZFHZWTEH-QFIPXVFZSA-N 1 1 468.623 2.827 50 0 JFAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccco1 ZINC000012552514 556035644 /nfs/dbraw/zinc/03/56/44/556035644.db2.gz WAAZAMGCFAPASQ-IBGZPJMESA-N 1 1 471.535 2.884 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2cccs2)CC1 ZINC000012553854 556037591 /nfs/dbraw/zinc/03/75/91/556037591.db2.gz QQDVNFWZBRRQGL-UHFFFAOYSA-N 1 1 462.641 2.856 50 0 JFAAMO O=C(CN(C(=O)c1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000015864147 556039012 /nfs/dbraw/zinc/03/90/12/556039012.db2.gz FKMMJEZZFUYKNX-UHFFFAOYSA-N 1 1 455.002 2.879 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012567740 556067494 /nfs/dbraw/zinc/06/74/94/556067494.db2.gz PMAAPLYRLQPNGC-NRFANRHFSA-N 1 1 461.584 2.566 50 0 JFAAMO Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)nc2n1 ZINC000012568900 556070310 /nfs/dbraw/zinc/07/03/10/556070310.db2.gz VAHKERIGGFFIOQ-FQEVSTJZSA-N 1 1 466.611 2.970 50 0 JFAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000023468135 556073518 /nfs/dbraw/zinc/07/35/18/556073518.db2.gz NTZVROSXWQNZAT-JWGURIENSA-N 1 1 482.581 2.796 50 0 JFAAMO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000015944310 556080474 /nfs/dbraw/zinc/08/04/74/556080474.db2.gz DHVFMNFIHILANW-MWOWJKGTSA-N 1 1 463.600 2.907 50 0 JFAAMO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000015944310 556080478 /nfs/dbraw/zinc/08/04/78/556080478.db2.gz DHVFMNFIHILANW-MWOWJKGTSA-N 1 1 463.600 2.907 50 0 JFAAMO O=C(Nc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000023864517 556093250 /nfs/dbraw/zinc/09/32/50/556093250.db2.gz IEUIXMGFDIBRJH-FQEVSTJZSA-N 1 1 460.534 2.717 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000023873337 556097124 /nfs/dbraw/zinc/09/71/24/556097124.db2.gz NGMCTIIYYIQKSW-UHFFFAOYSA-N 1 1 460.534 2.948 50 0 JFAAMO O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024060742 556118446 /nfs/dbraw/zinc/11/84/46/556118446.db2.gz OMXSJMGJLHLZPZ-UHFFFAOYSA-N 1 1 485.528 2.641 50 0 JFAAMO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000024609398 556140252 /nfs/dbraw/zinc/14/02/52/556140252.db2.gz MVMQQIMFUJVSJB-UHFFFAOYSA-N 1 1 455.624 2.881 50 0 JFAAMO O=C(CN1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)Nc1ccccc1Cl ZINC000024774355 556154156 /nfs/dbraw/zinc/15/41/56/556154156.db2.gz FSYPPCCDUPAMEG-UHFFFAOYSA-N 1 1 488.007 2.774 50 0 JFAAMO C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012973845 556165485 /nfs/dbraw/zinc/16/54/85/556165485.db2.gz LXAJLACFWJZWFT-OAQYLSRUSA-N 1 1 499.633 2.751 50 0 JFAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3C3CC3)CC2)cc1 ZINC000025052873 556175243 /nfs/dbraw/zinc/17/52/43/556175243.db2.gz QRLCRFXIHIEHNI-DEOSSOPVSA-N 1 1 487.647 2.793 50 0 JFAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3C3CC3)CC2)cc1 ZINC000025052873 556175246 /nfs/dbraw/zinc/17/52/46/556175246.db2.gz QRLCRFXIHIEHNI-DEOSSOPVSA-N 1 1 487.647 2.793 50 0 JFAAMO COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@@H+]3CCc4ccccc4C3)C2=O)cc1OC ZINC000013038045 556234501 /nfs/dbraw/zinc/23/45/01/556234501.db2.gz HKYCPNPQZONTJZ-HMAPJEAMSA-N 1 1 481.574 2.915 50 0 JFAAMO COc1ccc(/C=C2\SC(=O)N(CCNC(=O)C[N@H+]3CCc4ccccc4C3)C2=O)cc1OC ZINC000013038045 556234506 /nfs/dbraw/zinc/23/45/06/556234506.db2.gz HKYCPNPQZONTJZ-HMAPJEAMSA-N 1 1 481.574 2.915 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)CC1 ZINC000017288384 556251493 /nfs/dbraw/zinc/25/14/93/556251493.db2.gz BTJPVUHORPZINM-FQEVSTJZSA-N 1 1 481.622 2.852 50 0 JFAAMO O=C(COC(=O)c1ccccc1I)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026358713 556252563 /nfs/dbraw/zinc/25/25/63/556252563.db2.gz KRSZPKFFGAORDC-UHFFFAOYSA-N 1 1 464.303 2.792 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000013063403 556260069 /nfs/dbraw/zinc/26/00/69/556260069.db2.gz ASBOMQQFWQSETK-GOSISDBHSA-N 1 1 459.568 2.505 50 0 JFAAMO Cc1[nH+]c2cc3c(cc2n1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)OCCO3 ZINC000013063595 556260801 /nfs/dbraw/zinc/26/08/01/556260801.db2.gz REJQNUXOQYNJSW-UHFFFAOYSA-N 1 1 456.568 2.697 50 0 JFAAMO COc1ccc(CCNC(=O)C[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1OC ZINC000027295879 556276071 /nfs/dbraw/zinc/27/60/71/556276071.db2.gz MCPBIGXERFGAIO-UHFFFAOYSA-N 1 1 467.488 2.787 50 0 JFAAMO COc1ccc(CCNC(=O)C[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1OC ZINC000027295879 556276073 /nfs/dbraw/zinc/27/60/73/556276073.db2.gz MCPBIGXERFGAIO-UHFFFAOYSA-N 1 1 467.488 2.787 50 0 JFAAMO CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000018516586 556322173 /nfs/dbraw/zinc/32/21/73/556322173.db2.gz WHBIGIKBNXZKFE-UHFFFAOYSA-N 1 1 456.572 2.717 50 0 fda JFAAMO O=C(NCCC[NH+]1CCOCC1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000019228951 556336061 /nfs/dbraw/zinc/33/60/61/556336061.db2.gz BURZNILFKKLBGU-UHFFFAOYSA-N 1 1 450.518 2.798 50 0 JFAAMO O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013121211 556336545 /nfs/dbraw/zinc/33/65/45/556336545.db2.gz RYDGYPYLNVLWRP-UHFFFAOYSA-N 1 1 497.592 2.958 50 0 JFAAMO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000013121390 556337280 /nfs/dbraw/zinc/33/72/80/556337280.db2.gz XWCMMEBIUIIAIL-UHFFFAOYSA-N 1 1 463.644 2.935 50 0 JFAAMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000028724848 556340345 /nfs/dbraw/zinc/34/03/45/556340345.db2.gz FPZFRBTWPWRXBL-OAQYLSRUSA-N 1 1 489.624 2.605 50 0 JFAAMO Cc1ccc(-n2nnnc2SCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000013127953 556345082 /nfs/dbraw/zinc/34/50/82/556345082.db2.gz MEEAGXBAWZHLRA-UHFFFAOYSA-N 1 1 452.584 2.520 50 0 JFAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000029152890 556348194 /nfs/dbraw/zinc/34/81/94/556348194.db2.gz MTXDKXCBHLSILT-FQEVSTJZSA-N 1 1 475.611 2.662 50 0 JFAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000029152890 556348197 /nfs/dbraw/zinc/34/81/97/556348197.db2.gz MTXDKXCBHLSILT-FQEVSTJZSA-N 1 1 475.611 2.662 50 0 JFAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013130095 556354751 /nfs/dbraw/zinc/35/47/51/556354751.db2.gz ACTBXWMGFAPAJY-UHFFFAOYSA-N 1 1 461.584 2.523 50 0 JFAAMO COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000019720244 556361818 /nfs/dbraw/zinc/36/18/18/556361818.db2.gz KXMPQGZPHXZVGK-QNGOZBTKSA-N 1 1 462.550 2.740 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032429981 556435358 /nfs/dbraw/zinc/43/53/58/556435358.db2.gz JTYGQIOHBQAYGB-QRVBRYPASA-N 1 1 475.611 2.748 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032429981 556435362 /nfs/dbraw/zinc/43/53/62/556435362.db2.gz JTYGQIOHBQAYGB-QRVBRYPASA-N 1 1 475.611 2.748 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000061997618 569610058 /nfs/dbraw/zinc/61/00/58/569610058.db2.gz NSFCZYVYLZWZDW-KKPNIWNPSA-N 1 1 459.502 2.660 50 0 biogenic JFAAMO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677236 569641712 /nfs/dbraw/zinc/64/17/12/569641712.db2.gz WLRZMUZBMRSTTR-JOCHJYFZSA-N 1 1 456.587 2.567 50 0 JFAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3cccc(C(F)(F)F)c3)co2)CC1 ZINC000034677102 569641733 /nfs/dbraw/zinc/64/17/33/569641733.db2.gz BZPAHTHDAIDJKB-LJQANCHMSA-N 1 1 498.546 2.917 50 0 JFAAMO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677237 569641775 /nfs/dbraw/zinc/64/17/75/569641775.db2.gz WLRZMUZBMRSTTR-QFIPXVFZSA-N 1 1 456.587 2.567 50 0 JFAAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COC(C)C)CC3)n2)cc1Cl ZINC000034677555 569641968 /nfs/dbraw/zinc/64/19/68/569641968.db2.gz CGSZSYYRMNMVJN-GOSISDBHSA-N 1 1 450.967 2.792 50 0 JFAAMO Cc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1 ZINC000034692135 569646366 /nfs/dbraw/zinc/64/63/66/569646366.db2.gz COHPDPPIGSXIRC-XMMPIXPASA-N 1 1 450.583 2.754 50 0 JFAAMO Cc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)NCc4ccccc4)CCO3)CC2)cc1 ZINC000034692135 569646367 /nfs/dbraw/zinc/64/63/67/569646367.db2.gz COHPDPPIGSXIRC-XMMPIXPASA-N 1 1 450.583 2.754 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000065061350 569655394 /nfs/dbraw/zinc/65/53/94/569655394.db2.gz QDZVGUJOITVNFY-UHFFFAOYSA-N 1 1 462.616 2.721 50 0 JFAAMO O=C(Nc1ccc(-n2cccc(C(=O)NCCC[NH+]3CCOCC3)c2=O)cc1)c1ccc(F)cc1 ZINC000065062728 569656159 /nfs/dbraw/zinc/65/61/59/569656159.db2.gz MIADNHDTUJIMQX-UHFFFAOYSA-N 1 1 478.524 2.681 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)c2ncoc2-c2ccccc2C(=O)N2CCCCC2)CC1 ZINC000065080031 569659422 /nfs/dbraw/zinc/65/94/22/569659422.db2.gz HBTXTMHDUZQZNM-UHFFFAOYSA-N 1 1 453.587 2.725 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3nc(C)c(S(=O)(=O)N4CCCCC4)c3C)cc2)CC1 ZINC000065138464 569668885 /nfs/dbraw/zinc/66/88/85/569668885.db2.gz NRVCQIPQKGSOIA-UHFFFAOYSA-N 1 1 473.643 2.501 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314160 569672258 /nfs/dbraw/zinc/67/22/58/569672258.db2.gz XDZWGIRTCXLAPD-RUZDIDTESA-N 1 1 471.605 2.683 50 0 JFAAMO CCCCc1ccc(NC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)cc1 ZINC000067225977 569681017 /nfs/dbraw/zinc/68/10/17/569681017.db2.gz LHZGGRXVNRQVMB-UHFFFAOYSA-N 1 1 454.600 2.976 50 0 JFAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(Cl)cc(Cl)c4)c(=O)c3s2)CC1 ZINC000067225990 569681021 /nfs/dbraw/zinc/68/10/21/569681021.db2.gz PZJBIJTYZWAESP-UHFFFAOYSA-N 1 1 467.382 2.940 50 0 JFAAMO COc1cccc(-c2cn(C)c3c2ncn(CC(=O)N2CC[NH+](Cc4ccccc4)CC2)c3=O)c1 ZINC000067235645 569681250 /nfs/dbraw/zinc/68/12/50/569681250.db2.gz RQDPPFBUCDFQHN-UHFFFAOYSA-N 1 1 471.561 2.755 50 0 JFAAMO CCOc1cc([C@@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)ccc1O ZINC000067285626 569683324 /nfs/dbraw/zinc/68/33/24/569683324.db2.gz AMLWQABIBUYFQP-QHCPKHFHSA-N 1 1 472.586 2.522 50 0 JFAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1Cl ZINC000067602194 569688764 /nfs/dbraw/zinc/68/87/64/569688764.db2.gz PYSUGMFROMYDBA-UHFFFAOYSA-N 1 1 451.980 2.558 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1 ZINC000035399156 569689639 /nfs/dbraw/zinc/68/96/39/569689639.db2.gz SUQSDAISQHJPPE-NRFANRHFSA-N 1 1 490.670 2.521 50 0 JFAAMO O=C(CCN(C(=O)c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000035421916 569692300 /nfs/dbraw/zinc/69/23/00/569692300.db2.gz XFKKABDZRMBYRP-UHFFFAOYSA-N 1 1 452.574 2.754 50 0 JFAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035422040 569692529 /nfs/dbraw/zinc/69/25/29/569692529.db2.gz RKFPNXXKTIOUCX-GOSISDBHSA-N 1 1 465.436 2.588 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035422040 569692530 /nfs/dbraw/zinc/69/25/30/569692530.db2.gz RKFPNXXKTIOUCX-GOSISDBHSA-N 1 1 465.436 2.588 50 0 JFAAMO O=C(CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@H]1CCCc2ccccc21 ZINC000069393600 569692862 /nfs/dbraw/zinc/69/28/62/569692862.db2.gz YQWCTGWPYPGQTJ-ZSQFBXSQSA-N 1 1 488.632 2.812 50 0 JFAAMO CN(CCCC(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)S(=O)(=O)c1cccs1 ZINC000070038795 569695069 /nfs/dbraw/zinc/69/50/69/569695069.db2.gz KHWBVVWPPLBVSO-UHFFFAOYSA-N 1 1 478.640 2.565 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)CC1 ZINC000035561328 569704288 /nfs/dbraw/zinc/70/42/88/569704288.db2.gz JYOVQJCYCSCICV-UHFFFAOYSA-N 1 1 454.596 2.718 50 0 JFAAMO Cc1nc(-c2ccc(S(=O)(=O)N3CCN(c4cc(-n5ccnc5)nc(C)[nH+]4)CC3)s2)cs1 ZINC000035598092 569705478 /nfs/dbraw/zinc/70/54/78/569705478.db2.gz KLMYBVCKQWHPAF-UHFFFAOYSA-N 1 1 487.636 2.975 50 0 JFAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)cc(C)c3NC2=O)cc1 ZINC000035780368 569711079 /nfs/dbraw/zinc/71/10/79/569711079.db2.gz JDQMDACKEZXFOY-ZZWZOVRCSA-N 1 1 473.529 2.911 50 0 biogenic JFAAMO CN(Cc1ccccc1)Cc1c(O)c(=O)cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1C ZINC000085874985 569715646 /nfs/dbraw/zinc/71/56/46/569715646.db2.gz AZOVDONMMZHDQV-RTWAWAEBSA-N 1 1 460.578 2.504 50 0 biogenic JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000035877183 569719844 /nfs/dbraw/zinc/71/98/44/569719844.db2.gz KSEXQRJSHRHGMD-OQJFVQCTSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000035877183 569719846 /nfs/dbraw/zinc/71/98/46/569719846.db2.gz KSEXQRJSHRHGMD-OQJFVQCTSA-N 1 1 495.963 2.827 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)CC1 ZINC000036002394 569746163 /nfs/dbraw/zinc/74/61/63/569746163.db2.gz OAHOBGISQDCPCI-HSZRJFAPSA-N 1 1 462.550 2.855 50 0 JFAAMO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@H+](C)Cc3ccccc3)C2=O)cc1OC ZINC000097987457 569748587 /nfs/dbraw/zinc/74/85/87/569748587.db2.gz PZXZMERWWUUCEQ-KGENOOAVSA-N 1 1 469.563 2.988 50 0 JFAAMO COc1ccc(/C=C2/SC(=O)N(CCNC(=O)C[N@@H+](C)Cc3ccccc3)C2=O)cc1OC ZINC000097987457 569748588 /nfs/dbraw/zinc/74/85/88/569748588.db2.gz PZXZMERWWUUCEQ-KGENOOAVSA-N 1 1 469.563 2.988 50 0 JFAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000036342625 569765912 /nfs/dbraw/zinc/76/59/12/569765912.db2.gz QWVTZAKERNTGHG-JOCHJYFZSA-N 1 1 450.539 2.579 50 0 JFAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342561 569765922 /nfs/dbraw/zinc/76/59/22/569765922.db2.gz PJSOGWHETXXDJZ-XMMPIXPASA-N 1 1 464.566 2.969 50 0 JFAAMO Cn1c(C[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc2cc(Cl)ccc21 ZINC000036397554 569775238 /nfs/dbraw/zinc/77/52/38/569775238.db2.gz BXSIPSGXRQVHCL-UHFFFAOYSA-N 1 1 461.975 2.725 50 0 JFAAMO COc1ccc2[nH]c(C(=O)N[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1OC ZINC000036569413 569776507 /nfs/dbraw/zinc/77/65/07/569776507.db2.gz IGYBTXGQLHXMGT-QGZVFWFLSA-N 1 1 450.539 2.648 50 0 JFAAMO COc1ccc(CCN2C[C@@H](C(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2=O)cc1OC ZINC000036717825 569780400 /nfs/dbraw/zinc/78/04/00/569780400.db2.gz YESNFLHOLVIHBI-QFIPXVFZSA-N 1 1 453.583 2.733 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)c3cccc(OC)c3)CC2)CC1 ZINC000037524702 569793246 /nfs/dbraw/zinc/79/32/46/569793246.db2.gz QZFXKUZVTMMMLT-UHFFFAOYSA-N 1 1 450.583 2.872 50 0 JFAAMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)nc1 ZINC000040149441 569819062 /nfs/dbraw/zinc/81/90/62/569819062.db2.gz ZSZOFYRRBMBHQS-UHFFFAOYSA-N 1 1 462.616 2.888 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000106615438 569854361 /nfs/dbraw/zinc/85/43/61/569854361.db2.gz BOBVNJRGZDPLJE-DNVCBOLYSA-N 1 1 494.386 2.895 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000106615613 569854387 /nfs/dbraw/zinc/85/43/87/569854387.db2.gz GDXOKXWETWXHOQ-OXQOHEQNSA-N 1 1 461.584 2.855 50 0 JFAAMO CCOC(=O)C1C(CN2CCC[C@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000106615610 569854396 /nfs/dbraw/zinc/85/43/96/569854396.db2.gz GDXOKXWETWXHOQ-OXJNMPFZSA-N 1 1 461.584 2.855 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COC ZINC000169680320 569870295 /nfs/dbraw/zinc/87/02/95/569870295.db2.gz ZGSDWISWEDRJAH-UYAOXDASSA-N 1 1 462.612 2.981 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169681547 569870710 /nfs/dbraw/zinc/87/07/10/569870710.db2.gz WLLVRQINRMHFKD-OFNKIYASSA-N 1 1 476.639 2.907 50 0 JFAAMO COC(=O)C[C@H](CC(C)C)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225419769 569995873 /nfs/dbraw/zinc/99/58/73/569995873.db2.gz NLHOWUGICGLMIB-SQNIBIBYSA-N 1 1 456.539 2.819 50 0 biogenic JFAAMO COC(=O)C[C@H](CC(C)C)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225419769 569995874 /nfs/dbraw/zinc/99/58/74/569995874.db2.gz NLHOWUGICGLMIB-SQNIBIBYSA-N 1 1 456.539 2.819 50 0 biogenic JFAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000230071249 570044441 /nfs/dbraw/zinc/04/44/41/570044441.db2.gz CJKOZYLAMNPKQZ-JTAQYXEDSA-N 1 1 486.638 2.913 50 0 JFAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245279554 570061501 /nfs/dbraw/zinc/06/15/01/570061501.db2.gz HZKUIXGWKRCXFI-IFMALSPDSA-N 1 1 470.566 2.761 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000248206666 570076277 /nfs/dbraw/zinc/07/62/77/570076277.db2.gz BFNZVVRVIRCIOX-UDLDYJPUSA-N 1 1 453.926 2.593 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248206658 570076358 /nfs/dbraw/zinc/07/63/58/570076358.db2.gz BFNZVVRVIRCIOX-LDAQIHBESA-N 1 1 453.926 2.593 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000253389762 570095672 /nfs/dbraw/zinc/09/56/72/570095672.db2.gz LHDDXPFSFBAXCS-LEWJYISDSA-N 1 1 463.550 2.696 50 0 JFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263586138 570171583 /nfs/dbraw/zinc/17/15/83/570171583.db2.gz QOEFAUQEHOMKAN-ITAIVJFTSA-N 1 1 457.615 2.954 50 0 biogenic JFAAMO CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012760018 195110132 /nfs/dbraw/zinc/11/01/32/195110132.db2.gz KILGQNQSYZDVKE-KRWDZBQOSA-N 1 1 488.610 2.757 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)cc1 ZINC000012824568 195150560 /nfs/dbraw/zinc/15/05/60/195150560.db2.gz LOOWLULHVSJVMM-UHFFFAOYSA-N 1 1 463.644 2.547 50 0 JFAAMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCC[NH+]4CCOCC4)CC(=O)N23)cc1 ZINC000020609800 195183042 /nfs/dbraw/zinc/18/30/42/195183042.db2.gz JPTZDHXRMSBSBJ-RPLLCQBOSA-N 1 1 488.588 2.584 50 0 biogenic JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611054 195184663 /nfs/dbraw/zinc/18/46/63/195184663.db2.gz FEFACXBMORQQRK-VLMJQKPGSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O ZINC000020687267 195205446 /nfs/dbraw/zinc/20/54/46/195205446.db2.gz PRFATOHZWUOYLC-HSZRJFAPSA-N 1 1 450.583 2.515 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)CC1 ZINC000020726683 195207851 /nfs/dbraw/zinc/20/78/51/195207851.db2.gz BBSLAUWNIUYLKO-NKFKGCMQSA-N 1 1 450.608 2.920 50 0 JFAAMO CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc1O2 ZINC000020731042 195210338 /nfs/dbraw/zinc/21/03/38/195210338.db2.gz QEMWQJYFNRHQIE-UHFFFAOYSA-N 1 1 491.588 2.756 50 0 JFAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000021023231 195268437 /nfs/dbraw/zinc/26/84/37/195268437.db2.gz YPOKHIAAJHRPRN-XMMPIXPASA-N 1 1 490.670 2.520 50 0 JFAAMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021298641 195293424 /nfs/dbraw/zinc/29/34/24/195293424.db2.gz UGHVQTGYSYRIJV-UHFFFAOYSA-N 1 1 454.530 2.624 50 0 JFAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938330 195337710 /nfs/dbraw/zinc/33/77/10/195337710.db2.gz ZOZCVERLQBONHQ-VWLOTQADSA-N 1 1 461.610 2.935 50 0 JFAAMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C1 ZINC000062613435 195426605 /nfs/dbraw/zinc/42/66/05/195426605.db2.gz CENZDJFXGCBZDC-SJORKVTESA-N 1 1 487.066 2.936 50 0 JFAAMO O=C(CN1CC[NH+](CCO)CC1)N1CCC(=C2c3ccccc3Sc3ncccc32)CC1 ZINC000096247423 130002050 /nfs/dbraw/zinc/00/20/50/130002050.db2.gz IXODZIVJVBEXQK-UHFFFAOYSA-N 1 1 450.608 2.580 50 0 JFAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 ZINC000022810893 518728438 /nfs/dbraw/zinc/72/84/38/518728438.db2.gz RMONFYZWUVSJEF-UHFFFAOYSA-N 1 1 465.598 2.800 50 0 JFAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 ZINC000022810893 518728448 /nfs/dbraw/zinc/72/84/48/518728448.db2.gz RMONFYZWUVSJEF-UHFFFAOYSA-N 1 1 465.598 2.800 50 0 JFAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000022789486 518728686 /nfs/dbraw/zinc/72/86/86/518728686.db2.gz OKZLIDUFUGKVFC-UHFFFAOYSA-N 1 1 458.603 2.979 50 0 JFAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000022789486 518728695 /nfs/dbraw/zinc/72/86/95/518728695.db2.gz OKZLIDUFUGKVFC-UHFFFAOYSA-N 1 1 458.603 2.979 50 0 JFAAMO CC(=O)N1CCc2cc(S(=O)(=O)[C@@H](C)CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000021871975 519633173 /nfs/dbraw/zinc/63/31/73/519633173.db2.gz SWAXMSXMHFRBHS-IBGZPJMESA-N 1 1 483.634 2.929 50 0 JFAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)C1 ZINC000022693749 519730044 /nfs/dbraw/zinc/73/00/44/519730044.db2.gz NGEOHWDCXFJCOY-AWEZNQCLSA-N 1 1 464.415 2.521 50 0 JFAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000045945451 519838465 /nfs/dbraw/zinc/83/84/65/519838465.db2.gz SKJWQUXIYQUAJL-FGZHOGPDSA-N 1 1 478.703 2.601 50 0 JFAAMO CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3nnn(CC[NH+]2CCCC2)c1=O ZINC000012388875 520576704 /nfs/dbraw/zinc/57/67/04/520576704.db2.gz YWJWLACRKPFABB-UHFFFAOYSA-N 1 1 454.600 2.949 50 0 JFAAMO CCC[C@@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014889369 520956452 /nfs/dbraw/zinc/95/64/52/520956452.db2.gz RRMWRFIVZFUMGS-CLOONOSVSA-N 1 1 471.602 2.517 50 0 JFAAMO CCOc1ccc(C[N@H+](CC)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000014898165 520963713 /nfs/dbraw/zinc/96/37/13/520963713.db2.gz QPRRRCDUHVRJTJ-UHFFFAOYSA-N 1 1 489.638 2.757 50 0 JFAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC ZINC000014898165 520963716 /nfs/dbraw/zinc/96/37/16/520963716.db2.gz QPRRRCDUHVRJTJ-UHFFFAOYSA-N 1 1 489.638 2.757 50 0 JFAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCC[NH+]4CCOCC4)CC3)cc2)cc1 ZINC000033115442 521209807 /nfs/dbraw/zinc/20/98/07/521209807.db2.gz QUEOOHBGLFDFSG-UHFFFAOYSA-N 1 1 487.622 2.756 50 0 JFAAMO CCC[C@]1(C2CCN(C(=O)c3cccnc3OC)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000014889367 521314365 /nfs/dbraw/zinc/31/43/65/521314365.db2.gz RRMWRFIVZFUMGS-UQBPGWFLSA-N 1 1 471.602 2.517 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000020112571 521668341 /nfs/dbraw/zinc/66/83/41/521668341.db2.gz LJGDUFKOEBMAON-JWQCQUIFSA-N 1 1 497.592 2.796 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4)c3c2=O)CC1 ZINC000020415767 521681195 /nfs/dbraw/zinc/68/11/95/521681195.db2.gz UXZHZOXWTNIHQL-UHFFFAOYSA-N 1 1 486.620 2.543 50 0 JFAAMO CNC(=O)c1cn(CCCc2ccccc2)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000014996689 521925552 /nfs/dbraw/zinc/92/55/52/521925552.db2.gz WJFJCRTZXBTUJJ-QHCPKHFHSA-N 1 1 472.589 2.845 50 0 JFAAMO COc1cc(/C=C/C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000018267535 521933551 /nfs/dbraw/zinc/93/35/51/521933551.db2.gz ONMMPQUMHOISOU-MDZDMXLPSA-N 1 1 454.523 2.613 50 0 JFAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 ZINC000048344465 522030497 /nfs/dbraw/zinc/03/04/97/522030497.db2.gz YTGZEXFKPCWPAC-HNNXBMFYSA-N 1 1 472.336 2.500 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697914 522064505 /nfs/dbraw/zinc/06/45/05/522064505.db2.gz XTYBJUTUOWUJOC-XMMPIXPASA-N 1 1 452.530 2.954 50 0 JFAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3n(C)c2=O)CC1 ZINC000033259112 522166924 /nfs/dbraw/zinc/16/69/24/522166924.db2.gz JJDTZHLYAMYILS-OAQYLSRUSA-N 1 1 462.598 2.572 50 0 JFAAMO COC(=O)c1cnn(-c2ccc(C(=O)NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1N ZINC000021652464 522350453 /nfs/dbraw/zinc/35/04/53/522350453.db2.gz TYUMEEXBJZWPQF-UHFFFAOYSA-N 1 1 496.999 2.755 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F ZINC000012245223 522399473 /nfs/dbraw/zinc/39/94/73/522399473.db2.gz DJPIBLROMYUVHC-QGZVFWFLSA-N 1 1 453.518 2.740 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)ccc1F ZINC000012245223 522399481 /nfs/dbraw/zinc/39/94/81/522399481.db2.gz DJPIBLROMYUVHC-QGZVFWFLSA-N 1 1 453.518 2.740 50 0 JFAAMO CC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308927 522808308 /nfs/dbraw/zinc/80/83/08/522808308.db2.gz IUKYSHHMPQLMND-AVRDEDQJSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308927 522808319 /nfs/dbraw/zinc/80/83/19/522808319.db2.gz IUKYSHHMPQLMND-AVRDEDQJSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308929 522992292 /nfs/dbraw/zinc/99/22/92/522992292.db2.gz IUKYSHHMPQLMND-GCJKJVERSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1 ZINC000036308929 522992304 /nfs/dbraw/zinc/99/23/04/522992304.db2.gz IUKYSHHMPQLMND-GCJKJVERSA-N 1 1 462.612 2.981 50 0 JFAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970740 523020540 /nfs/dbraw/zinc/02/05/40/523020540.db2.gz VGHKRNPYHKISMN-FQEVSTJZSA-N 1 1 450.587 2.970 50 0 JFAAMO COc1cc2nc(CSCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)[nH]c(=O)c2cc1OC ZINC000036569368 523068213 /nfs/dbraw/zinc/06/82/13/523068213.db2.gz LCVVTZARYONMQS-CRAIPNDOSA-N 1 1 460.600 2.554 50 0 JFAAMO CCn1c(=O)c(N2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)nc2cccnc21 ZINC000033258974 523100487 /nfs/dbraw/zinc/10/04/87/523100487.db2.gz VMOJJYRQHKMNNN-UHFFFAOYSA-N 1 1 454.619 2.799 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COC ZINC000036310172 523237966 /nfs/dbraw/zinc/23/79/66/523237966.db2.gz LGJTUMUMIQFOKK-KNQAVFIVSA-N 1 1 480.602 2.738 50 0 JFAAMO CCn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967782 523255724 /nfs/dbraw/zinc/25/57/24/523255724.db2.gz VIVLSBHIEZZITR-UHFFFAOYSA-N 1 1 458.522 2.730 50 0 JFAAMO CCn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967782 523255737 /nfs/dbraw/zinc/25/57/37/523255737.db2.gz VIVLSBHIEZZITR-UHFFFAOYSA-N 1 1 458.522 2.730 50 0 JFAAMO CCn1c2ccccc2nc(N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c1=O ZINC000022592728 523285268 /nfs/dbraw/zinc/28/52/68/523285268.db2.gz NSBNMSJDNXDVKO-QFIPXVFZSA-N 1 1 459.594 2.977 50 0 JFAAMO CN1CC[NH+](CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000033255180 523897164 /nfs/dbraw/zinc/89/71/64/523897164.db2.gz SJOPYVPWNJAMRH-UHFFFAOYSA-N 1 1 475.593 2.954 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5ccccc5)c4n3C)C2)cc1 ZINC000064967737 524038304 /nfs/dbraw/zinc/03/83/04/524038304.db2.gz URQXQNKMQOXLIY-UHFFFAOYSA-N 1 1 457.534 2.530 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5ccccc5)c4n3C)C2)cc1 ZINC000064967737 524038307 /nfs/dbraw/zinc/03/83/07/524038307.db2.gz URQXQNKMQOXLIY-UHFFFAOYSA-N 1 1 457.534 2.530 50 0 JFAAMO COc1ccc(CNC(=O)c2c(OC)cc(=O)n3c2CC[N@H+](C2CCSCC2)CC3)cc1 ZINC000014954902 524065194 /nfs/dbraw/zinc/06/51/94/524065194.db2.gz ZKWFBKVAWCDTOA-UHFFFAOYSA-N 1 1 457.596 2.549 50 0 JFAAMO C[C@H]1CCc2c(sc(NC(=O)CN3CC[NH+](CCO)CC3)c2C(=O)Nc2ccccc2F)C1 ZINC000022635468 524434847 /nfs/dbraw/zinc/43/48/47/524434847.db2.gz QGTTZLQQXHGNRG-INIZCTEOSA-N 1 1 474.602 2.813 50 0 JFAAMO Cc1cccc(N2CCN(C(=O)c3cn(CC(C)C)cc(C(=O)NCCC(C)C)c3=O)CC2)[nH+]1 ZINC000012244070 524551613 /nfs/dbraw/zinc/55/16/13/524551613.db2.gz QWWOVUHZAUWUBX-UHFFFAOYSA-N 1 1 467.614 2.946 50 0 JFAAMO Cc1cccc(N2CC[N@@H+](CCCNC(=O)CCc3nc(C4=CCN(C)CC4)no3)C[C@H]2C)c1 ZINC000033069176 524554213 /nfs/dbraw/zinc/55/42/13/524554213.db2.gz RMWOKIFJYZEFGJ-OAQYLSRUSA-N 1 1 466.630 2.747 50 0 JFAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)CCc3nc(C4=CCN(C)CC4)no3)C[C@H]2C)c1 ZINC000033069176 524554221 /nfs/dbraw/zinc/55/42/21/524554221.db2.gz RMWOKIFJYZEFGJ-OAQYLSRUSA-N 1 1 466.630 2.747 50 0 JFAAMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000046140950 524580187 /nfs/dbraw/zinc/58/01/87/524580187.db2.gz BEWFUBGYYVTBSY-SFHVURJKSA-N 1 1 494.455 2.930 50 0 JFAAMO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275025 525052688 /nfs/dbraw/zinc/05/26/88/525052688.db2.gz UHAKREHTPBLBLY-UHFFFAOYSA-N 1 1 480.588 2.899 50 0 JFAAMO Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC000009121418 525279101 /nfs/dbraw/zinc/27/91/01/525279101.db2.gz WPBDQJARBIKWJA-UHFFFAOYSA-N 1 1 486.638 2.939 50 0 JFAAMO C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)N3CC[NH+](C4CCCCC4)CC3)cc2NC1=O ZINC000020510382 525626899 /nfs/dbraw/zinc/62/68/99/525626899.db2.gz XLZKAVXPVCGMRU-INIZCTEOSA-N 1 1 465.641 2.760 50 0 JFAAMO Cc1cc2nc(C)c(=O)n(CC(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)c2cc1C ZINC000033254835 525671338 /nfs/dbraw/zinc/67/13/38/525671338.db2.gz LVXKFHKAKMUEFN-UHFFFAOYSA-N 1 1 461.610 2.877 50 0 JFAAMO Cc1ccc(C(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1 ZINC000014993514 526109641 /nfs/dbraw/zinc/10/96/41/526109641.db2.gz LKSMKRJDOSEQBS-DEOSSOPVSA-N 1 1 464.610 2.542 50 0 JFAAMO Cc1csc(-c2cc(S(=O)(=O)N3CC[NH+](CC(C)C)CC3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307811 526299479 /nfs/dbraw/zinc/29/94/79/526299479.db2.gz XOAJNWIWYYMVJA-UHFFFAOYSA-N 1 1 493.699 2.895 50 0 JFAAMO Cc1noc(/C=C/c2cc(C)ccc2C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033250869 526457862 /nfs/dbraw/zinc/45/78/62/526457862.db2.gz BFKRZHGPMKYJKT-DGSRBQDKSA-N 1 1 486.638 2.945 50 0 JFAAMO O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000048332786 526503936 /nfs/dbraw/zinc/50/39/36/526503936.db2.gz MTUBTQBSUMMABX-UHFFFAOYSA-N 1 1 480.325 2.682 50 0 JFAAMO O=C([C@H]1COc2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2O1)N1CCCCCC1 ZINC000037008931 526558184 /nfs/dbraw/zinc/55/81/84/526558184.db2.gz YGZVGIZFRCNRTJ-XMMPIXPASA-N 1 1 491.654 2.868 50 0 JFAAMO O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016285809 526967322 /nfs/dbraw/zinc/96/73/22/526967322.db2.gz LSPLYANKCDRQMB-UHFFFAOYSA-N 1 1 493.629 2.931 50 0 JFAAMO O=CN1CCC[N@H+]([C@@H]2CCc3c(sc4ncn(CCc5ccccc5F)c(=O)c34)C2)CC1 ZINC000014991066 527140788 /nfs/dbraw/zinc/14/07/88/527140788.db2.gz UHYGZGZACAGOAR-GOSISDBHSA-N 1 1 454.571 2.861 50 0 JFAAMO Cn1cc(CCC(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000014978726 527181576 /nfs/dbraw/zinc/18/15/76/527181576.db2.gz PXURPPZFMOOSFY-HSZRJFAPSA-N 1 1 451.615 2.716 50 0 JFAAMO Cn1cc(CCC(=O)N2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000012301173 527181805 /nfs/dbraw/zinc/18/18/05/527181805.db2.gz KQVLMCPQMYUKQR-DEOSSOPVSA-N 1 1 451.615 2.762 50 0 JFAAMO O=c1c([C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)nc(-c2ccccc2)nn1CN1CCOCC1 ZINC000020432204 527453348 /nfs/dbraw/zinc/45/33/48/527453348.db2.gz CMQSQEUJSLZAMD-HSZRJFAPSA-N 1 1 496.011 2.713 50 0 JFAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000002247932 554112781 /nfs/dbraw/zinc/11/27/81/554112781.db2.gz OVAASBPSJWVMBW-AWEZNQCLSA-N 1 1 461.515 2.528 50 0 JFAAMO CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000002725202 554311443 /nfs/dbraw/zinc/31/14/43/554311443.db2.gz CCQRWHIHDOBVCL-UHFFFAOYSA-N 1 1 490.651 2.911 50 0 JFAAMO CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000002725202 554311445 /nfs/dbraw/zinc/31/14/45/554311445.db2.gz CCQRWHIHDOBVCL-UHFFFAOYSA-N 1 1 490.651 2.911 50 0 JFAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)NC)C1 ZINC000002725196 554311541 /nfs/dbraw/zinc/31/15/41/554311541.db2.gz WBGXHZAQUTWYAS-UHFFFAOYSA-N 1 1 490.651 2.913 50 0 JFAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(=O)NC)C1 ZINC000002725196 554311544 /nfs/dbraw/zinc/31/15/44/554311544.db2.gz WBGXHZAQUTWYAS-UHFFFAOYSA-N 1 1 490.651 2.913 50 0 JFAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000008881279 554776473 /nfs/dbraw/zinc/77/64/73/554776473.db2.gz XHUFYFIIWQALCZ-UHFFFAOYSA-N 1 1 476.624 2.652 50 0 JFAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000008881279 554776474 /nfs/dbraw/zinc/77/64/74/554776474.db2.gz XHUFYFIIWQALCZ-UHFFFAOYSA-N 1 1 476.624 2.652 50 0 JFAAMO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009052596 554872914 /nfs/dbraw/zinc/87/29/14/554872914.db2.gz MNAVCERZWWNLPS-FQEVSTJZSA-N 1 1 475.611 2.662 50 0 JFAAMO Cc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009052596 554872916 /nfs/dbraw/zinc/87/29/16/554872916.db2.gz MNAVCERZWWNLPS-FQEVSTJZSA-N 1 1 475.611 2.662 50 0 JFAAMO CC(C)CN(C(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000009514156 555304570 /nfs/dbraw/zinc/30/45/70/555304570.db2.gz LTEKPAWAVGUTQU-FQEVSTJZSA-N 1 1 455.603 2.773 50 0 JFAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000009578869 555381356 /nfs/dbraw/zinc/38/13/56/555381356.db2.gz RLAYFQWKXOWSIX-JOCHJYFZSA-N 1 1 481.578 2.700 50 0 JFAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000009578869 555381359 /nfs/dbraw/zinc/38/13/59/555381359.db2.gz RLAYFQWKXOWSIX-JOCHJYFZSA-N 1 1 481.578 2.700 50 0 JFAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000009580132 555385197 /nfs/dbraw/zinc/38/51/97/555385197.db2.gz IXLFCYJAWZAVLD-GOSISDBHSA-N 1 1 455.552 2.696 50 0 JFAAMO COc1ccc(/C=C(\NC(=O)c2ccc(Cl)cc2)C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000013403851 555396699 /nfs/dbraw/zinc/39/66/99/555396699.db2.gz LGCHMDOMYNMEGS-PGMHBOJBSA-N 1 1 487.984 2.967 50 0 JFAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCCCN1CCOCC1 ZINC000019831771 555505401 /nfs/dbraw/zinc/50/54/01/555505401.db2.gz ZPTNUBBMPWPXJI-UHFFFAOYSA-N 1 1 478.637 2.539 50 0 JFAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3n2)c1 ZINC000019860509 555519722 /nfs/dbraw/zinc/51/97/22/555519722.db2.gz VQSAOOHAMXEEQI-UHFFFAOYSA-N 1 1 463.460 2.876 50 0 JFAAMO CCn1cc(C(=O)NCCCCCC(=O)NC[C@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013625059 555538953 /nfs/dbraw/zinc/53/89/53/555538953.db2.gz QBOYPXAVCAUWNP-GOSISDBHSA-N 1 1 484.597 2.641 50 0 JFAAMO COc1cc(CNCC[NH+](C)C)cc(I)c1OCC(=O)Nc1ccccc1 ZINC000019922748 555540185 /nfs/dbraw/zinc/54/01/85/555540185.db2.gz BYZHKKTYPREJOX-UHFFFAOYSA-N 1 1 483.350 2.969 50 0 JFAAMO Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1C ZINC000019991933 555576570 /nfs/dbraw/zinc/57/65/70/555576570.db2.gz ZZDGHEXPLKLZLY-SANMLTNESA-N 1 1 460.578 2.870 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCOCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114146 555651863 /nfs/dbraw/zinc/65/18/63/555651863.db2.gz HZWGPAFUNUSVGZ-FCHUYYIVSA-N 1 1 473.595 2.514 50 0 JFAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc(OC)c(C)c2OC)CC3)cc1 ZINC000020118149 555654869 /nfs/dbraw/zinc/65/48/69/555654869.db2.gz SNMKTLLDZBBPRZ-UHFFFAOYSA-N 1 1 479.581 2.643 50 0 JFAAMO O[C@H](COc1ccccc1Cl)CN1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000020150296 555666705 /nfs/dbraw/zinc/66/67/05/555666705.db2.gz WFOUUWQZTHAZJG-ROUUACIJSA-N 1 1 455.382 2.791 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC000014043242 555674775 /nfs/dbraw/zinc/67/47/75/555674775.db2.gz MLWSCQLRSJXTRS-LJQANCHMSA-N 1 1 482.606 2.563 50 0 JFAAMO Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)c(=O)[nH]1 ZINC000020254864 555743664 /nfs/dbraw/zinc/74/36/64/555743664.db2.gz PHLVGPQLTNYRJQ-JOCHJYFZSA-N 1 1 450.583 2.660 50 0 JFAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000020287995 555756371 /nfs/dbraw/zinc/75/63/71/555756371.db2.gz BLYAMWGFLGFKHB-MBSDFSHPSA-N 1 1 467.639 2.772 50 0 JFAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000020287989 555756422 /nfs/dbraw/zinc/75/64/22/555756422.db2.gz BLYAMWGFLGFKHB-JPYJTQIMSA-N 1 1 467.639 2.772 50 0 JFAAMO CCc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n(C)n1 ZINC000020541783 555806343 /nfs/dbraw/zinc/80/63/43/555806343.db2.gz LGKHPEWTFUPWEP-JOCHJYFZSA-N 1 1 451.615 2.959 50 0 JFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556949 555808485 /nfs/dbraw/zinc/80/84/85/555808485.db2.gz HNONIQNHQYIOTR-QFIPXVFZSA-N 1 1 473.625 2.944 50 0 JFAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011820418 555831304 /nfs/dbraw/zinc/83/13/04/555831304.db2.gz UIFLTDVAVNYFFE-GOSISDBHSA-N 1 1 451.958 2.884 50 0 JFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011820418 555831306 /nfs/dbraw/zinc/83/13/06/555831306.db2.gz UIFLTDVAVNYFFE-GOSISDBHSA-N 1 1 451.958 2.884 50 0 JFAAMO Cc1nc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)n(C[C@H]2CCCO2)c1C ZINC000022092336 555873245 /nfs/dbraw/zinc/87/32/45/555873245.db2.gz KKAMELVQUOYYTI-HXUWFJFHSA-N 1 1 450.649 2.922 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022185679 555882731 /nfs/dbraw/zinc/88/27/31/555882731.db2.gz ATHCIGQKSWWCRJ-UHFFFAOYSA-N 1 1 463.644 2.935 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@H+](C3CCCCCC3)C2)nn1 ZINC000012100196 555907817 /nfs/dbraw/zinc/90/78/17/555907817.db2.gz JJJGBWUQPNKKRZ-KNQAVFIVSA-N 1 1 455.559 2.728 50 0 JFAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2 ZINC000012128464 555911098 /nfs/dbraw/zinc/91/10/98/555911098.db2.gz IXQBJMDYIJYJDS-NRFANRHFSA-N 1 1 467.570 2.818 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2ccccc2F)c1 ZINC000015647449 555921941 /nfs/dbraw/zinc/92/19/41/555921941.db2.gz FDTSJGAGAWWWRX-UHFFFAOYSA-N 1 1 462.591 2.789 50 0 JFAAMO CCC(CC)C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000012183672 555935699 /nfs/dbraw/zinc/93/56/99/555935699.db2.gz VESSYMSCKQBWCL-XXBNENTESA-N 1 1 466.586 2.957 50 0 JFAAMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](N)C(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)CC2 ZINC000015721591 555956018 /nfs/dbraw/zinc/95/60/18/555956018.db2.gz RYYVRFAJTNFQBC-SFHVURJKSA-N 1 1 496.674 2.967 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1ccc(F)cc1 ZINC000022909235 555967222 /nfs/dbraw/zinc/96/72/22/555967222.db2.gz ZLJMCVBFTHALAC-UHFFFAOYSA-N 1 1 460.575 2.714 50 0 JFAAMO CCOC(=O)c1c2cc(OC[C@H](O)CN3CC[NH+](CCO)CC3)ccc2oc1-c1ccccc1 ZINC000022927919 555978516 /nfs/dbraw/zinc/97/85/16/555978516.db2.gz FFQWHBQDWDLBEX-HXUWFJFHSA-N 1 1 468.550 2.626 50 0 JFAAMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000022928595 555979771 /nfs/dbraw/zinc/97/97/71/555979771.db2.gz DPHMWBOKVQCPCV-HXUWFJFHSA-N 1 1 457.596 2.849 50 0 JFAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)N2CC[NH+](C)CC2)o1 ZINC000022938472 555991763 /nfs/dbraw/zinc/99/17/63/555991763.db2.gz ZHZXQUMYMMHENF-LJQANCHMSA-N 1 1 452.511 2.733 50 0 JFAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2)[C@@H]1CCOC1 ZINC000023130737 556019344 /nfs/dbraw/zinc/01/93/44/556019344.db2.gz NYAFUHWBWHGWHJ-JOCHJYFZSA-N 1 1 461.566 2.568 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000023162481 556026615 /nfs/dbraw/zinc/02/66/15/556026615.db2.gz AOGPYSAEBYTLRI-XMMPIXPASA-N 1 1 464.566 2.684 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956633 556088423 /nfs/dbraw/zinc/08/84/23/556088423.db2.gz RPMGTRBJSCHNNU-PTNLABRWSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000023825339 556090405 /nfs/dbraw/zinc/09/04/05/556090405.db2.gz QOONSLBSNRYRFK-UHFFFAOYSA-N 1 1 464.316 2.879 50 0 JFAAMO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000023825339 556090409 /nfs/dbraw/zinc/09/04/09/556090409.db2.gz QOONSLBSNRYRFK-UHFFFAOYSA-N 1 1 464.316 2.879 50 0 JFAAMO Cc1ccc([C@@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000023844977 556091219 /nfs/dbraw/zinc/09/12/19/556091219.db2.gz SABYRSUZZHQJDF-RUZDIDTESA-N 1 1 464.522 2.799 50 0 JFAAMO O=C(N1CC[NH+](C[C@H]2CCCO2)CC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000023881737 556098202 /nfs/dbraw/zinc/09/82/02/556098202.db2.gz MLIVRSAJBJLEAA-XMMPIXPASA-N 1 1 497.661 2.732 50 0 JFAAMO O=C(CSc1nnnn1-c1cccc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023907735 556099568 /nfs/dbraw/zinc/09/95/68/556099568.db2.gz GYFVGXVSJVLTPM-UHFFFAOYSA-N 1 1 458.975 2.556 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl ZINC000023908330 556100041 /nfs/dbraw/zinc/10/00/41/556100041.db2.gz LVBICOLBRPRLFS-UHFFFAOYSA-N 1 1 491.983 2.543 50 0 JFAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015999078 556104229 /nfs/dbraw/zinc/10/42/29/556104229.db2.gz ZAXCYTAEYWYOIT-VROSSTTESA-N 1 1 493.585 2.997 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2c1cccc2C ZINC000016033690 556117705 /nfs/dbraw/zinc/11/77/05/556117705.db2.gz ORYPYSWFPIWMNC-QILYDZGSSA-N 1 1 479.558 2.891 50 0 JFAAMO COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cccc2C ZINC000016033690 556117707 /nfs/dbraw/zinc/11/77/07/556117707.db2.gz ORYPYSWFPIWMNC-QILYDZGSSA-N 1 1 479.558 2.891 50 0 JFAAMO O=c1cc(CN2CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)nc2ccccn12 ZINC000025047164 556173950 /nfs/dbraw/zinc/17/39/50/556173950.db2.gz UQBHILOVJPIXRV-RUZDIDTESA-N 1 1 470.573 2.919 50 0 JFAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000025183014 556203346 /nfs/dbraw/zinc/20/33/46/556203346.db2.gz HVRCDWHLAUUYDD-HXUWFJFHSA-N 1 1 452.942 2.624 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000017288387 556251317 /nfs/dbraw/zinc/25/13/17/556251317.db2.gz MUHYRCRJJKRBGD-LJQANCHMSA-N 1 1 485.585 2.683 50 0 JFAAMO CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)n2CC ZINC000018342779 556319891 /nfs/dbraw/zinc/31/98/91/556319891.db2.gz ZPRUFVZBXSZOOP-SFHVURJKSA-N 1 1 462.616 2.798 50 0 JFAAMO COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)CC[NH+]1CCOCC1 ZINC000019418719 556347860 /nfs/dbraw/zinc/34/78/60/556347860.db2.gz BGDYWGHYOLNDJU-QHCPKHFHSA-N 1 1 490.398 2.962 50 0 JFAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000013128881 556349562 /nfs/dbraw/zinc/34/95/62/556349562.db2.gz LTLGBRZVGTVNFC-HXUWFJFHSA-N 1 1 490.670 2.913 50 0 JFAAMO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@H+](Cc1ccc3cccnc3c1)CC2 ZINC000019594776 556356316 /nfs/dbraw/zinc/35/63/16/556356316.db2.gz WTKQFBZRJDYCES-UHFFFAOYSA-N 1 1 458.541 2.925 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)no1 ZINC000029999929 556362085 /nfs/dbraw/zinc/36/20/85/556362085.db2.gz XSMYXSITIWYMKE-UYAOXDASSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000029999929 556362087 /nfs/dbraw/zinc/36/20/87/556362087.db2.gz XSMYXSITIWYMKE-UYAOXDASSA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000029999929 556362090 /nfs/dbraw/zinc/36/20/90/556362090.db2.gz XSMYXSITIWYMKE-UYAOXDASSA-N 1 1 459.616 2.538 50 0 JFAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1 ZINC000019745098 556365891 /nfs/dbraw/zinc/36/58/91/556365891.db2.gz WCACLENLTPCNNI-UHFFFAOYSA-N 1 1 471.602 2.601 50 0 JFAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cc(C)c(OC)cc2C)CC3)o1 ZINC000019746019 556366360 /nfs/dbraw/zinc/36/63/60/556366360.db2.gz ONGBALYJVHPVRA-UHFFFAOYSA-N 1 1 453.543 2.631 50 0 JFAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000019797262 556374784 /nfs/dbraw/zinc/37/47/84/556374784.db2.gz QLCXZOBMCHHCII-PMACEKPBSA-N 1 1 452.985 2.593 50 0 JFAAMO CCCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000008583288 562940159 /nfs/dbraw/zinc/94/01/59/562940159.db2.gz MPUOVPIVOHLGLO-UHFFFAOYSA-N 1 1 462.616 2.555 50 0 JFAAMO COc1ccc(-c2nnn(C3CC[NH+]([C@@H]4CC(=O)N(c5cccc(C)c5)C4=O)CC3)n2)cc1OC ZINC000008694561 569593192 /nfs/dbraw/zinc/59/31/92/569593192.db2.gz RMSZSQUGDRHBCH-HXUWFJFHSA-N 1 1 476.537 2.635 50 0 JFAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[N@H+](CC(=O)NC(C)(C)C)CC3)c2c1C ZINC000008726319 569600791 /nfs/dbraw/zinc/60/07/91/569600791.db2.gz JVEPYKQUONOLHR-UHFFFAOYSA-N 1 1 474.675 2.567 50 0 JFAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[N@@H+](CC(=O)NC(C)(C)C)CC3)c2c1C ZINC000008726319 569600793 /nfs/dbraw/zinc/60/07/93/569600793.db2.gz JVEPYKQUONOLHR-UHFFFAOYSA-N 1 1 474.675 2.567 50 0 JFAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000032987920 569609740 /nfs/dbraw/zinc/60/97/40/569609740.db2.gz VFVDWTXGVPACGG-JOCHJYFZSA-N 1 1 457.596 2.839 50 0 JFAAMO CCc1nn(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc3sccc3n21 ZINC000063502961 569615299 /nfs/dbraw/zinc/61/52/99/569615299.db2.gz UYKVPZPOXSRABY-UHFFFAOYSA-N 1 1 499.040 2.865 50 0 JFAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Cn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000063552070 569615570 /nfs/dbraw/zinc/61/55/70/569615570.db2.gz OLRNHUWTPFMAFD-UHFFFAOYSA-N 1 1 478.984 2.549 50 0 JFAAMO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C(C)C)CC4)c3C)n2)c1 ZINC000064031782 569616094 /nfs/dbraw/zinc/61/60/94/569616094.db2.gz NKGMEXHTHFLRKE-UHFFFAOYSA-N 1 1 450.543 2.821 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000033787071 569634964 /nfs/dbraw/zinc/63/49/64/569634964.db2.gz NPAYUIISMDEQGJ-NSNOHRKYSA-N 1 1 455.873 2.919 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000033787071 569634965 /nfs/dbraw/zinc/63/49/65/569634965.db2.gz NPAYUIISMDEQGJ-NSNOHRKYSA-N 1 1 455.873 2.919 50 0 JFAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000065102476 569664304 /nfs/dbraw/zinc/66/43/04/569664304.db2.gz BRXCFAZWDCJTEV-UHFFFAOYSA-N 1 1 455.628 2.991 50 0 JFAAMO O=C(Cn1nc2c(-c3nc(-c4ccccc4)no3)cccn2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067219185 569680538 /nfs/dbraw/zinc/68/05/38/569680538.db2.gz GEIKZYULJDUJBX-UHFFFAOYSA-N 1 1 495.543 2.557 50 0 JFAAMO CCOc1cc([C@@H]2NC(=O)N=C(CN3CC[NH+](C4CCCCC4)CC3)C2C(=O)OC)ccc1O ZINC000067285691 569683427 /nfs/dbraw/zinc/68/34/27/569683427.db2.gz UANXJUHMWZBXGD-QHCPKHFHSA-N 1 1 472.586 2.522 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000035375314 569684353 /nfs/dbraw/zinc/68/43/53/569684353.db2.gz KBMFWHVXHYDCLZ-TXDLGXNGSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000035375314 569684356 /nfs/dbraw/zinc/68/43/56/569684356.db2.gz KBMFWHVXHYDCLZ-TXDLGXNGSA-N 1 1 495.963 2.827 50 0 JFAAMO Cc1oc2ncn(CCC(=O)NCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2c1C ZINC000035378548 569685722 /nfs/dbraw/zinc/68/57/22/569685722.db2.gz LIQAQYCZKGPPHK-UHFFFAOYSA-N 1 1 471.989 2.897 50 0 JFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)ncn1 ZINC000067612881 569688725 /nfs/dbraw/zinc/68/87/25/569688725.db2.gz ZWGKZOBKGRDSIX-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO COC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067689626 569690000 /nfs/dbraw/zinc/69/00/00/569690000.db2.gz JTZCRRUOKPZKCL-HSZRJFAPSA-N 1 1 498.967 2.668 50 0 JFAAMO O=C(COC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070012653 569694768 /nfs/dbraw/zinc/69/47/68/569694768.db2.gz ZHIYKNNZFWLMSH-QFIPXVFZSA-N 1 1 464.566 2.818 50 0 JFAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)c1C ZINC000035447495 569696151 /nfs/dbraw/zinc/69/61/51/569696151.db2.gz STXSCVVDRZVWEY-SFHVURJKSA-N 1 1 474.646 2.970 50 0 JFAAMO COc1ccc(-c2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000079193085 569707287 /nfs/dbraw/zinc/70/72/87/569707287.db2.gz CJKOZYLAMNPKQZ-MIZPHKNDSA-N 1 1 486.638 2.913 50 0 biogenic JFAAMO O=C(CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)NCCC[NH+]1CCOCC1 ZINC000085878707 569716299 /nfs/dbraw/zinc/71/62/99/569716299.db2.gz RYSYTCZIRZWHCZ-UHFFFAOYSA-N 1 1 485.588 2.803 50 0 biogenic JFAAMO COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CC[N@@H+](C)C[C@H]43)C2=O)cc1OC ZINC000035877373 569719873 /nfs/dbraw/zinc/71/98/73/569719873.db2.gz OBSBAIOQIIZYQT-BKMJKUGQSA-N 1 1 478.549 2.528 50 0 JFAAMO CCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(C)c4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926552 569729897 /nfs/dbraw/zinc/72/98/97/569729897.db2.gz XTNBCWNZFXVRHO-UHFFFAOYSA-N 1 1 466.630 2.548 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793191 569743043 /nfs/dbraw/zinc/74/30/43/569743043.db2.gz VYKJQJBCHVUMKA-HYBUGGRVSA-N 1 1 477.634 2.823 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cnc2c1 ZINC000096919017 569743727 /nfs/dbraw/zinc/74/37/27/569743727.db2.gz WMOONBFTJYFJIR-UHFFFAOYSA-N 1 1 483.594 2.711 50 0 JFAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036031252 569751857 /nfs/dbraw/zinc/75/18/57/569751857.db2.gz FMBUNXZBSXSUTN-OAQYLSRUSA-N 1 1 464.990 2.931 50 0 JFAAMO COCCn1c(CN(CC[NH+](C)C)C(=O)CC(C)C)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000036039885 569752813 /nfs/dbraw/zinc/75/28/13/569752813.db2.gz RQLCIWMVRZOCHN-UHFFFAOYSA-N 1 1 482.622 2.579 50 0 JFAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313412 569760812 /nfs/dbraw/zinc/76/08/12/569760812.db2.gz PKTVOZQHUAKBMD-MOPGFXCFSA-N 1 1 463.550 2.696 50 0 JFAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)c(OC)c1 ZINC000036342590 569765930 /nfs/dbraw/zinc/76/59/30/569765930.db2.gz ZODMNMXVNVZBMC-QFIPXVFZSA-N 1 1 468.529 2.718 50 0 JFAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@@H](c2ccccc2OC)C1 ZINC000036343009 569766182 /nfs/dbraw/zinc/76/61/82/569766182.db2.gz WEOQOMPUBXUFNN-OAQYLSRUSA-N 1 1 450.539 2.579 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccccc3OC)C2)cc1OC ZINC000036342967 569766218 /nfs/dbraw/zinc/76/62/18/569766218.db2.gz LHTPFXZONDNGBQ-NRFANRHFSA-N 1 1 480.565 2.587 50 0 JFAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000036601348 569777353 /nfs/dbraw/zinc/77/73/53/569777353.db2.gz OMENTCHNCFBYCH-NZQKXSOJSA-N 1 1 495.663 2.773 50 0 JFAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCn3nc(-c4ccco4)ccc3=O)CC2)c(C)c1 ZINC000036709257 569780380 /nfs/dbraw/zinc/78/03/80/569780380.db2.gz SALHYGOGYDJROZ-UHFFFAOYSA-N 1 1 477.565 2.587 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4c(C)ccc(C)c4C)cc32)CC1 ZINC000037512564 569792295 /nfs/dbraw/zinc/79/22/95/569792295.db2.gz ZLOSJGPBOHRFPU-UHFFFAOYSA-N 1 1 479.577 2.763 50 0 JFAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000039383765 569809636 /nfs/dbraw/zinc/80/96/36/569809636.db2.gz BYCWKRVPZSCYLJ-UHFFFAOYSA-N 1 1 459.598 2.746 50 0 JFAAMO O=c1c2cnc(N3CC[NH+](Cc4ccccc4)CC3)nc2ccn1Cc1ccc2c(c1)OCO2 ZINC000039404024 569809754 /nfs/dbraw/zinc/80/97/54/569809754.db2.gz UZLYJNRZKVCOOK-UHFFFAOYSA-N 1 1 455.518 2.891 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000040149732 569819419 /nfs/dbraw/zinc/81/94/19/569819419.db2.gz HQVASQQEFQAGCZ-UHFFFAOYSA-N 1 1 491.679 2.929 50 0 JFAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3Br)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000049626715 569849790 /nfs/dbraw/zinc/84/97/90/569849790.db2.gz GUBFOAKAHJYQIA-RQXXJAGISA-N 1 1 452.308 2.880 50 0 biogenic JFAAMO CCOc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)OC(C)(C)OC2=O)cc1 ZINC000049740995 569850231 /nfs/dbraw/zinc/85/02/31/569850231.db2.gz HJBLCSRMJUOKDC-VQTJNVASSA-N 1 1 480.561 2.731 50 0 biogenic JFAAMO CCOC(=O)C1C(CN2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000106615567 569854446 /nfs/dbraw/zinc/85/44/46/569854446.db2.gz YFOINETTYTXGJA-VGSWGCGISA-N 1 1 489.569 2.540 50 0 JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136957247 569864864 /nfs/dbraw/zinc/86/48/64/569864864.db2.gz PSMKLWAWNWTCCN-IXDOHACOSA-N 1 1 478.549 2.961 50 0 biogenic JFAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136957247 569864865 /nfs/dbraw/zinc/86/48/65/569864865.db2.gz PSMKLWAWNWTCCN-IXDOHACOSA-N 1 1 478.549 2.961 50 0 biogenic JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@@H](O)COC ZINC000169677937 569868976 /nfs/dbraw/zinc/86/89/76/569868976.db2.gz GSAAFICXRBMXLQ-WIYYLYMNSA-N 1 1 480.602 2.738 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H](O)COC ZINC000169681961 569870918 /nfs/dbraw/zinc/87/09/18/569870918.db2.gz SWKOKIGVCWQFIP-DENIHFKCSA-N 1 1 462.612 2.599 50 0 JFAAMO COC(=O)C[C@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414930 569995719 /nfs/dbraw/zinc/99/57/19/569995719.db2.gz AVQVHWUIBNOFEC-SLYNCCJLSA-N 1 1 476.529 2.821 50 0 biogenic JFAAMO COC(=O)C[C@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225414930 569995720 /nfs/dbraw/zinc/99/57/20/569995720.db2.gz AVQVHWUIBNOFEC-SLYNCCJLSA-N 1 1 476.529 2.821 50 0 biogenic JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000227054633 570039934 /nfs/dbraw/zinc/03/99/34/570039934.db2.gz KSEXQRJSHRHGMD-LIYOMKHYSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000227054633 570039936 /nfs/dbraw/zinc/03/99/36/570039936.db2.gz KSEXQRJSHRHGMD-LIYOMKHYSA-N 1 1 495.963 2.827 50 0 JFAAMO CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O ZINC000229889856 570041764 /nfs/dbraw/zinc/04/17/64/570041764.db2.gz NPPONKHEHCSPER-CUNXSJBXSA-N 1 1 490.560 2.526 50 0 JFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000230469004 570046398 /nfs/dbraw/zinc/04/63/98/570046398.db2.gz MQVIMSHJAAFVPS-NSYGIPOTSA-N 1 1 492.576 2.809 50 0 biogenic JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](O)c1ccc(Cl)cc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000248240740 570076608 /nfs/dbraw/zinc/07/66/08/570076608.db2.gz OHOFGOANDVJBSY-RSNROMBLSA-N 1 1 471.916 2.732 50 0 JFAAMO COc1ccc([C@@H]2[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253400509 570096521 /nfs/dbraw/zinc/09/65/21/570096521.db2.gz DYHKAMUZHQSJCV-JEBQKTDQSA-N 1 1 473.614 2.955 50 0 biogenic JFAAMO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000253401154 570096550 /nfs/dbraw/zinc/09/65/50/570096550.db2.gz FKESLNCFQIAMJE-PCCBWWKXSA-N 1 1 486.613 2.627 50 0 biogenic JFAAMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000253414880 570098635 /nfs/dbraw/zinc/09/86/35/570098635.db2.gz YXERZSNJKJRWMY-ACIOBRDBSA-N 1 1 470.614 2.661 50 0 biogenic JFAAMO O=C(c1cn2ccccc2n1)N1CCC2(C[C@H]2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000299756538 570174131 /nfs/dbraw/zinc/17/41/31/570174131.db2.gz DLZKEEVSCOVSRW-QFIPXVFZSA-N 1 1 457.578 2.921 50 0 JFAAMO CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@]3(c4ccccc4C)CC(=O)N(Cc4ccncc4)C3=O)C2)C1 ZINC000299761946 570174705 /nfs/dbraw/zinc/17/47/05/570174705.db2.gz CEOAZTLXFCEMBS-VSGBNLITSA-N 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COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000022782057 524645680 /nfs/dbraw/zinc/64/56/80/524645680.db2.gz IRRTVCJBYXXSIP-UHFFFAOYSA-N 1 1 495.624 2.808 50 0 JFAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000012219232 524707942 /nfs/dbraw/zinc/70/79/42/524707942.db2.gz BYALXDQFKXOVHM-LJQANCHMSA-N 1 1 461.566 2.603 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059586 524896839 /nfs/dbraw/zinc/89/68/39/524896839.db2.gz XQVPBYFIFRCDJH-XZOQPEGZSA-N 1 1 451.567 2.642 50 0 JFAAMO Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccco1 ZINC000022698188 525324536 /nfs/dbraw/zinc/32/45/36/525324536.db2.gz MLSWQZHEXUQAKQ-QHCPKHFHSA-N 1 1 457.958 2.856 50 0 JFAAMO Cc1cc(O)c([C@@H](c2ccccc2Cl)N2CC[NH+](CCO)CC2)c(=O)n1Cc1cccnc1 ZINC000022698070 525324912 /nfs/dbraw/zinc/32/49/12/525324912.db2.gz SDUHHHMXUDMEEG-XMMPIXPASA-N 1 1 468.985 2.658 50 0 JFAAMO Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCC[NH+]3CCOCC3)CC(=O)N12 ZINC000020412802 525397172 /nfs/dbraw/zinc/39/71/72/525397172.db2.gz LWVLINXAHYKYJG-RPLLCQBOSA-N 1 1 472.589 2.884 50 0 biogenic JFAAMO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3ccccc3)cnc2N2CC[NH2+]CC2)cc1 ZINC000033278244 525590731 /nfs/dbraw/zinc/59/07/31/525590731.db2.gz XVPWYMFMXSQBTH-UHFFFAOYSA-N 1 1 479.606 2.873 50 0 JFAAMO O=C(Nc1ccccc1F)c1nnc(COc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)s1 ZINC000033114311 527423121 /nfs/dbraw/zinc/42/31/21/527423121.db2.gz UZYQTYHQEJLRDZ-UHFFFAOYSA-N 1 1 499.568 2.961 50 0 JFAAMO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000022807295 527660536 /nfs/dbraw/zinc/66/05/36/527660536.db2.gz NVORDKNEFAUQNW-BGYRXZFFSA-N 1 1 455.382 2.791 50 0 JFAAMO O[C@@H](COc1ccc(Cl)cc1)CN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000022807295 527660537 /nfs/dbraw/zinc/66/05/37/527660537.db2.gz NVORDKNEFAUQNW-BGYRXZFFSA-N 1 1 455.382 2.791 50 0 JFAAMO O[C@@H](COc1ccc(OC(F)(F)F)cc1)C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000012338936 527661169 /nfs/dbraw/zinc/66/11/69/527661169.db2.gz UXIIRPGHFWVEHK-CYBMUJFWSA-N 1 1 466.382 2.956 50 0 JFAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008855729 554751686 /nfs/dbraw/zinc/75/16/86/554751686.db2.gz HHDDOLQCDYQCMB-IBGZPJMESA-N 1 1 482.002 2.911 50 0 JFAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1)Cc1ccccc1 ZINC000009287548 555060974 /nfs/dbraw/zinc/06/09/74/555060974.db2.gz KOGJOZZZAXCBTI-UHFFFAOYSA-N 1 1 470.643 2.910 50 0 JFAAMO Cc1cccc(Cn2c(N3CC[NH+](C/C=C\c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000009714243 555442769 /nfs/dbraw/zinc/44/27/69/555442769.db2.gz AQFCBMDPKXJBQQ-GHXNOFRVSA-N 1 1 470.577 2.615 50 0 JFAAMO Cn1c2nc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000009714376 555443116 /nfs/dbraw/zinc/44/31/16/555443116.db2.gz LSEGQVMRTRMPHD-YFHOEESVSA-N 1 1 490.995 2.960 50 0 JFAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000009741569 555472916 /nfs/dbraw/zinc/47/29/16/555472916.db2.gz RTVMOSNEKFWNPI-DEOSSOPVSA-N 1 1 490.670 2.520 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000019839035 555508080 /nfs/dbraw/zinc/50/80/80/555508080.db2.gz IRSIIZPXGWUCHM-UHFFFAOYSA-N 1 1 475.549 2.678 50 0 JFAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](Cc1cc3ccccc3o1)CC2 ZINC000019839035 555508082 /nfs/dbraw/zinc/50/80/82/555508082.db2.gz IRSIIZPXGWUCHM-UHFFFAOYSA-N 1 1 475.549 2.678 50 0 JFAAMO COc1cc(C[NH2+]CCN(C)C)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000019922784 555540122 /nfs/dbraw/zinc/54/01/22/555540122.db2.gz CQOONFJQALFBMN-UHFFFAOYSA-N 1 1 450.377 2.804 50 0 JFAAMO COc1cc2c(c3oc(=O)c(CCC(=O)NCCC[NH+]4CCOCC4)c(C)c13)CCC(C)(C)O2 ZINC000013628279 555540267 /nfs/dbraw/zinc/54/02/67/555540267.db2.gz UNONABGJDLYFNE-UHFFFAOYSA-N 1 1 472.582 2.985 50 0 JFAAMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)CC1 ZINC000019929041 555545358 /nfs/dbraw/zinc/54/53/58/555545358.db2.gz HMMUCXVKEKLECV-UHFFFAOYSA-N 1 1 457.596 2.679 50 0 JFAAMO CCS(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019938214 555555675 /nfs/dbraw/zinc/55/56/75/555555675.db2.gz OUSGBDQVAXZMKF-UHFFFAOYSA-N 1 1 455.624 2.982 50 0 JFAAMO COc1cc(-c2nc3c(s2)CN(C(=S)NCCC[NH+]2CCOCC2)CC3)cc(OC)c1OC ZINC000013691544 555585929 /nfs/dbraw/zinc/58/59/29/555585929.db2.gz ATQJXRMIYZMAKL-UHFFFAOYSA-N 1 1 492.667 2.791 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccccc2F)CC1 ZINC000020114288 555652064 /nfs/dbraw/zinc/65/20/64/555652064.db2.gz SZEOCXLXDGYTRA-PKTZIBPZSA-N 1 1 455.530 2.918 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccccc2F)CC1 ZINC000020114286 555652140 /nfs/dbraw/zinc/65/21/40/555652140.db2.gz SZEOCXLXDGYTRA-GOTSBHOMSA-N 1 1 455.530 2.918 50 0 JFAAMO COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000010272791 555667437 /nfs/dbraw/zinc/66/74/37/555667437.db2.gz WWBBYRXVMVMCEX-UHFFFAOYSA-N 1 1 491.635 2.696 50 0 JFAAMO COc1ccccc1[C@@H](CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+](C)C ZINC000014190537 555729020 /nfs/dbraw/zinc/72/90/20/555729020.db2.gz JTHJPXGNWGTHAF-QGZVFWFLSA-N 1 1 491.518 2.787 50 0 JFAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000014242556 555744617 /nfs/dbraw/zinc/74/46/17/555744617.db2.gz SANIWAAPZNKZFJ-MRXNPFEDSA-N 1 1 464.522 2.830 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 ZINC000014242971 555745480 /nfs/dbraw/zinc/74/54/80/555745480.db2.gz FAOTUUKPIXQZPQ-QHCPKHFHSA-N 1 1 496.583 2.907 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 ZINC000014242971 555745483 /nfs/dbraw/zinc/74/54/83/555745483.db2.gz FAOTUUKPIXQZPQ-QHCPKHFHSA-N 1 1 496.583 2.907 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1ccccn1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288312 555757371 /nfs/dbraw/zinc/75/73/71/555757371.db2.gz QQDYYQLBYLDUKB-CVDCTZTESA-N 1 1 463.607 2.828 50 0 JFAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000020321319 555770459 /nfs/dbraw/zinc/77/04/59/555770459.db2.gz ROWOTZKRAATWEU-UHFFFAOYSA-N 1 1 496.427 2.817 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCOCC4)nn32)o1 ZINC000020530557 555797820 /nfs/dbraw/zinc/79/78/20/555797820.db2.gz TZFJEJJUXRADLY-LJQANCHMSA-N 1 1 481.601 2.567 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)CC1 ZINC000020532517 555802726 /nfs/dbraw/zinc/80/27/26/555802726.db2.gz UYFACVKJRIIAKR-UHFFFAOYSA-N 1 1 457.962 2.631 50 0 JFAAMO O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020546327 555806340 /nfs/dbraw/zinc/80/63/40/555806340.db2.gz GECZUFNCIKDDRR-UHFFFAOYSA-N 1 1 460.578 2.841 50 0 JFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788448 555822899 /nfs/dbraw/zinc/82/28/99/555822899.db2.gz MMZKYCPNZGYXHU-GOSISDBHSA-N 1 1 495.580 2.618 50 0 JFAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c(OC)c1 ZINC000011788448 555822901 /nfs/dbraw/zinc/82/29/01/555822901.db2.gz MMZKYCPNZGYXHU-GOSISDBHSA-N 1 1 495.580 2.618 50 0 JFAAMO Cc1csc(-c2cc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000014536770 555826135 /nfs/dbraw/zinc/82/61/35/555826135.db2.gz NNOSYRIGBFVIPA-FQEVSTJZSA-N 1 1 477.652 2.959 50 0 JFAAMO COCCn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC000014538964 555828623 /nfs/dbraw/zinc/82/86/23/555828623.db2.gz TWOFPXXPTUUFFF-UHFFFAOYSA-N 1 1 483.956 2.795 50 0 JFAAMO COCCn1nc(C(=O)NCc2cccnc2)c2c1CC[N@@H+](Cc1cc3c(cc1Cl)OCO3)C2 ZINC000014538964 555828626 /nfs/dbraw/zinc/82/86/26/555828626.db2.gz TWOFPXXPTUUFFF-UHFFFAOYSA-N 1 1 483.956 2.795 50 0 JFAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccoc3C)n2CC1 ZINC000011838986 555832197 /nfs/dbraw/zinc/83/21/97/555832197.db2.gz NVCIPJRBWMAVPO-OAHLLOKOSA-N 1 1 469.542 2.755 50 0 JFAAMO COc1cccc(C[N@@H+]2CCc3c(c(C(=O)N4CCNC(=O)CC4)nn3CCc3ccccc3)C2)c1 ZINC000014543392 555834216 /nfs/dbraw/zinc/83/42/16/555834216.db2.gz YEGBIAWMZXITQV-UHFFFAOYSA-N 1 1 487.604 2.655 50 0 JFAAMO COc1cccc(C[N@H+]2CCc3c(c(C(=O)N4CCNC(=O)CC4)nn3CCc3ccccc3)C2)c1 ZINC000014543392 555834218 /nfs/dbraw/zinc/83/42/18/555834218.db2.gz YEGBIAWMZXITQV-UHFFFAOYSA-N 1 1 487.604 2.655 50 0 JFAAMO O=C1NC(=O)C(c2cn(CCC[NH+]3CCNCC3)c3ccccc23)=C1c1c[nH]c2ccccc12 ZINC000022028948 555864581 /nfs/dbraw/zinc/86/45/81/555864581.db2.gz VKLVUAHQOFDKLR-UHFFFAOYSA-N 1 1 453.546 2.985 50 0 JFAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)CC3CCCC3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000015068852 555868744 /nfs/dbraw/zinc/86/87/44/555868744.db2.gz JTJYSGBKKYFQRZ-QHCPKHFHSA-N 1 1 456.631 2.500 50 0 JFAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)CC3CCCC3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000015068854 555868818 /nfs/dbraw/zinc/86/88/18/555868818.db2.gz JTJYSGBKKYFQRZ-HSZRJFAPSA-N 1 1 456.631 2.500 50 0 JFAAMO Cc1cc(C)cc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000015103252 555876665 /nfs/dbraw/zinc/87/66/65/555876665.db2.gz YBGWWHMYTXKQGC-OAQYLSRUSA-N 1 1 489.638 2.971 50 0 JFAAMO Cc1cc(C)cc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000015103252 555876669 /nfs/dbraw/zinc/87/66/69/555876669.db2.gz YBGWWHMYTXKQGC-OAQYLSRUSA-N 1 1 489.638 2.971 50 0 JFAAMO COc1ccc(C[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 ZINC000015485917 555911136 /nfs/dbraw/zinc/91/11/36/555911136.db2.gz WTLIUFKBCYYLKJ-UHFFFAOYSA-N 1 1 473.595 2.628 50 0 JFAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C2CC2)cc1 ZINC000015485917 555911137 /nfs/dbraw/zinc/91/11/37/555911137.db2.gz WTLIUFKBCYYLKJ-UHFFFAOYSA-N 1 1 473.595 2.628 50 0 JFAAMO COc1cc(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000015671196 555927769 /nfs/dbraw/zinc/92/77/69/555927769.db2.gz UPTHKOAQQWXZOQ-UHFFFAOYSA-N 1 1 455.559 2.764 50 0 JFAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccn2)CC3)o1 ZINC000012212079 555943345 /nfs/dbraw/zinc/94/33/45/555943345.db2.gz UELWIYOWAKUHRP-HXUWFJFHSA-N 1 1 452.559 2.988 50 0 JFAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccn2)CC3)o1 ZINC000012212079 555943348 /nfs/dbraw/zinc/94/33/48/555943348.db2.gz UELWIYOWAKUHRP-HXUWFJFHSA-N 1 1 452.559 2.988 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1nc2ccccc2s1 ZINC000022909003 555965949 /nfs/dbraw/zinc/96/59/49/555965949.db2.gz AHHFUGRUTQYRDA-UHFFFAOYSA-N 1 1 485.635 2.795 50 0 JFAAMO CCOc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCCC3)cc1 ZINC000022909223 555966762 /nfs/dbraw/zinc/96/67/62/555966762.db2.gz XEYOSMMFGSXQJA-UHFFFAOYSA-N 1 1 486.638 2.974 50 0 JFAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022919666 555973608 /nfs/dbraw/zinc/97/36/08/555973608.db2.gz QMDHZXLYKWSRBO-SFHVURJKSA-N 1 1 462.641 2.677 50 0 JFAAMO CC1=C(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731404 555974782 /nfs/dbraw/zinc/97/47/82/555974782.db2.gz RTOSZQZKNHFWLX-KRWDZBQOSA-N 1 1 495.667 2.525 50 0 biogenic JFAAMO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000022921292 555975191 /nfs/dbraw/zinc/97/51/91/555975191.db2.gz WFOUUWQZTHAZJG-HDICACEKSA-N 1 1 455.382 2.791 50 0 JFAAMO O[C@@H](COc1ccccc1Cl)CN1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000022921292 555975193 /nfs/dbraw/zinc/97/51/93/555975193.db2.gz WFOUUWQZTHAZJG-HDICACEKSA-N 1 1 455.382 2.791 50 0 JFAAMO C[NH+]1CCN(CC2(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CCCCC2)CC1 ZINC000022935492 555988179 /nfs/dbraw/zinc/98/81/79/555988179.db2.gz PVKGLWYZGWJXBM-UHFFFAOYSA-N 1 1 497.105 2.807 50 0 JFAAMO CCc1ccc(C(=O)N2CC[NH+](CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000023148187 556023555 /nfs/dbraw/zinc/02/35/55/556023555.db2.gz WZYMSQYXFGPXFI-UHFFFAOYSA-N 1 1 450.583 2.872 50 0 JFAAMO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023172193 556026433 /nfs/dbraw/zinc/02/64/33/556026433.db2.gz KOMXMBKZUUHELI-XMMPIXPASA-N 1 1 472.655 2.626 50 0 JFAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)C[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023352315 556048126 /nfs/dbraw/zinc/04/81/26/556048126.db2.gz FUHGNFJKHXHDCP-XSBVVTFOSA-N 1 1 464.654 2.821 50 0 JFAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023352315 556048129 /nfs/dbraw/zinc/04/81/29/556048129.db2.gz FUHGNFJKHXHDCP-XSBVVTFOSA-N 1 1 464.654 2.821 50 0 JFAAMO COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000015880030 556051839 /nfs/dbraw/zinc/05/18/39/556051839.db2.gz PQPMLLVNCRWUIF-STZFKDTASA-N 1 1 492.576 2.749 50 0 JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000012569025 556070828 /nfs/dbraw/zinc/07/08/28/556070828.db2.gz QLUDMAHSXRPBTM-QGZVFWFLSA-N 1 1 499.605 2.540 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000012569025 556070830 /nfs/dbraw/zinc/07/08/30/556070830.db2.gz QLUDMAHSXRPBTM-QGZVFWFLSA-N 1 1 499.605 2.540 50 0 JFAAMO Cn1c(=O)c(C(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000012738672 556106930 /nfs/dbraw/zinc/10/69/30/556106930.db2.gz AGBPFAPRQOGRDV-UHFFFAOYSA-N 1 1 490.560 2.534 50 0 JFAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000023958722 556106984 /nfs/dbraw/zinc/10/69/84/556106984.db2.gz CMPCJCIVJPVGDT-UHFFFAOYSA-N 1 1 479.602 2.927 50 0 JFAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024097344 556121336 /nfs/dbraw/zinc/12/13/36/556121336.db2.gz FARMDGVLKCPPLX-UHFFFAOYSA-N 1 1 476.503 2.841 50 0 JFAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000024539413 556135510 /nfs/dbraw/zinc/13/55/10/556135510.db2.gz CFGPJLFMHAJUCK-UHFFFAOYSA-N 1 1 451.976 2.626 50 0 JFAAMO CCCCN(C(=O)C[N@@H+](C)CC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024984711 556169367 /nfs/dbraw/zinc/16/93/67/556169367.db2.gz QHHPUGBXJKJVIP-UHFFFAOYSA-N 1 1 455.603 2.812 50 0 JFAAMO CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013031613 556228619 /nfs/dbraw/zinc/22/86/19/556228619.db2.gz IMVROGTYQDARJF-LJQANCHMSA-N 1 1 499.612 2.660 50 0 JFAAMO CCCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013031613 556228622 /nfs/dbraw/zinc/22/86/22/556228622.db2.gz IMVROGTYQDARJF-LJQANCHMSA-N 1 1 499.612 2.660 50 0 JFAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2cc(C(=O)NC3CC3)c3ccccc3n2)C1 ZINC000017276157 556250255 /nfs/dbraw/zinc/25/02/55/556250255.db2.gz OZWMQXYSTZKSGE-SFHVURJKSA-N 1 1 456.612 2.692 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000017288401 556251457 /nfs/dbraw/zinc/25/14/57/556251457.db2.gz YFEAQRCCCRFJTG-LJQANCHMSA-N 1 1 467.595 2.544 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000013063404 556260179 /nfs/dbraw/zinc/26/01/79/556260179.db2.gz ASBOMQQFWQSETK-SFHVURJKSA-N 1 1 459.568 2.505 50 0 JFAAMO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000027208495 556275026 /nfs/dbraw/zinc/27/50/26/556275026.db2.gz KDDPOGNTCVUIIW-HXUWFJFHSA-N 1 1 486.956 2.814 50 0 JFAAMO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000018039481 556279045 /nfs/dbraw/zinc/27/90/45/556279045.db2.gz NPPONKHEHCSPER-AJTFRIOCSA-N 1 1 490.560 2.526 50 0 JFAAMO CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)C1=O ZINC000018039481 556279049 /nfs/dbraw/zinc/27/90/49/556279049.db2.gz NPPONKHEHCSPER-AJTFRIOCSA-N 1 1 490.560 2.526 50 0 JFAAMO CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)n2CC ZINC000018342776 556319940 /nfs/dbraw/zinc/31/99/40/556319940.db2.gz ZPRUFVZBXSZOOP-GOSISDBHSA-N 1 1 462.616 2.798 50 0 JFAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013121059 556335452 /nfs/dbraw/zinc/33/54/52/556335452.db2.gz WLLSCKKTTHXSDG-HSZRJFAPSA-N 1 1 459.637 2.732 50 0 JFAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000013121059 556335455 /nfs/dbraw/zinc/33/54/55/556335455.db2.gz WLLSCKKTTHXSDG-HSZRJFAPSA-N 1 1 459.637 2.732 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000028878503 556343257 /nfs/dbraw/zinc/34/32/57/556343257.db2.gz CNZZFDKGIOIIBB-OAQYLSRUSA-N 1 1 459.930 2.661 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)cc1 ZINC000019744413 556365432 /nfs/dbraw/zinc/36/54/32/556365432.db2.gz MPNNWKNUEGUHEI-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4ccsc4)c(OC)cc(=O)n3CC2)cc1 ZINC000019744413 556365436 /nfs/dbraw/zinc/36/54/36/556365436.db2.gz MPNNWKNUEGUHEI-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO CN(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000019758382 556366302 /nfs/dbraw/zinc/36/63/02/556366302.db2.gz LAMNTPFGXHSPQM-QHCPKHFHSA-N 1 1 450.583 2.904 50 0 JFAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000032870822 556517824 /nfs/dbraw/zinc/51/78/24/556517824.db2.gz FSQZLGFJSPBTHD-XMMPIXPASA-N 1 1 489.576 2.802 50 0 JFAAMO CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCC[NH+](C)C)cc2)nc1 ZINC000040423504 563142384 /nfs/dbraw/zinc/14/23/84/563142384.db2.gz KXWBUKMWZKTHCV-UHFFFAOYSA-N 1 1 451.570 2.675 50 0 in-vitro JFAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000057286406 569595651 /nfs/dbraw/zinc/59/56/51/569595651.db2.gz BFBRCHFJZPKGEB-GOSISDBHSA-N 1 1 498.070 2.916 50 0 JFAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000057286406 569595653 /nfs/dbraw/zinc/59/56/53/569595653.db2.gz BFBRCHFJZPKGEB-GOSISDBHSA-N 1 1 498.070 2.916 50 0 JFAAMO CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000008710964 569596004 /nfs/dbraw/zinc/59/60/04/569596004.db2.gz BDXUQXFYQHLMEB-OAQYLSRUSA-N 1 1 470.639 2.932 50 0 JFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cc2)C1 ZINC000060341428 569608762 /nfs/dbraw/zinc/60/87/62/569608762.db2.gz IIXCLHLTBOHKNI-JOCHJYFZSA-N 1 1 478.593 2.640 50 0 JFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032987558 569609539 /nfs/dbraw/zinc/60/95/39/569609539.db2.gz YKTSZRNGVJGNDS-CQSZACIVSA-N 1 1 451.980 2.951 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3C)s2)CC1 ZINC000032995384 569610233 /nfs/dbraw/zinc/61/02/33/569610233.db2.gz HEVQPJLCKAPCQA-UHFFFAOYSA-N 1 1 458.632 2.565 50 0 JFAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)CCn2c3ccccc3nc(C)c2=O)CC1 ZINC000033005326 569614496 /nfs/dbraw/zinc/61/44/96/569614496.db2.gz NQKYOCPKPIXUMN-UHFFFAOYSA-N 1 1 468.001 2.995 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)[C@H](NS(=O)(=O)c3cccs3)C(C)C)CC2)c1C ZINC000063671312 569616042 /nfs/dbraw/zinc/61/60/42/569616042.db2.gz OWWNEHJVCQJHQT-JOCHJYFZSA-N 1 1 478.684 2.606 50 0 JFAAMO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[NH+]2CCN(C)CC2)C3=O)o1 ZINC000033331893 569624570 /nfs/dbraw/zinc/62/45/70/569624570.db2.gz DMYGXKKYVJOTMS-SANMLTNESA-N 1 1 469.630 2.844 50 0 JFAAMO COc1ccccc1CNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064836117 569636741 /nfs/dbraw/zinc/63/67/41/569636741.db2.gz YQYPDVPHPUXJEC-UHFFFAOYSA-N 1 1 457.534 2.530 50 0 JFAAMO Cn1c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836124 569636758 /nfs/dbraw/zinc/63/67/58/569636758.db2.gz HDUOOMBUFYJJEO-UHFFFAOYSA-N 1 1 482.588 2.554 50 0 JFAAMO CCOc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064836168 569636794 /nfs/dbraw/zinc/63/67/94/569636794.db2.gz UCBWSRDQGNVDCY-UHFFFAOYSA-N 1 1 471.561 2.920 50 0 JFAAMO COc1ccc(OC)c(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)c1 ZINC000064836166 569636826 /nfs/dbraw/zinc/63/68/26/569636826.db2.gz WAZTUYFPCNYUSV-UHFFFAOYSA-N 1 1 487.560 2.539 50 0 JFAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Cn3c4ccccc4c4cnn(C)c(=O)c43)C[C@@H]2C)c1 ZINC000064839364 569637252 /nfs/dbraw/zinc/63/72/52/569637252.db2.gz GYTYTEXPVNLIGA-NRFANRHFSA-N 1 1 486.620 2.914 50 0 JFAAMO COc1ccc(-c2nn(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c(=O)c3noc(C)c32)cc1 ZINC000064842119 569637561 /nfs/dbraw/zinc/63/75/61/569637561.db2.gz RQVRKDJDXPQHMM-INIZCTEOSA-N 1 1 453.543 2.749 50 0 JFAAMO COc1ccc(-c2nn(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c(=O)c3noc(C)c32)cc1 ZINC000064842122 569637571 /nfs/dbraw/zinc/63/75/71/569637571.db2.gz RQVRKDJDXPQHMM-MRXNPFEDSA-N 1 1 453.543 2.749 50 0 JFAAMO CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)c2cccc(F)c2)CC3)CC1 ZINC000034676719 569641605 /nfs/dbraw/zinc/64/16/05/569641605.db2.gz MKCBIHRWGBVKCL-UHFFFAOYSA-N 1 1 452.578 2.802 50 0 JFAAMO O=C(Nc1cccc(F)c1)c1coc(CN2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000034677188 569641739 /nfs/dbraw/zinc/64/17/39/569641739.db2.gz YDOVVHXSUGFSOY-FQEVSTJZSA-N 1 1 472.492 2.763 50 0 JFAAMO Cc1cccc(C(=O)Nc2ccc(-n3cccc(C(=O)NCCC[NH+]4CCOCC4)c3=O)cc2)c1 ZINC000065062731 569656113 /nfs/dbraw/zinc/65/61/13/569656113.db2.gz MICDYCHEHVDRKF-UHFFFAOYSA-N 1 1 474.561 2.850 50 0 JFAAMO COCC[NH+]1CCN(C(=O)CCN(CC(C)C)C(=O)c2cc(-c3cccc(OC)c3)on2)CC1 ZINC000034922657 569672944 /nfs/dbraw/zinc/67/29/44/569672944.db2.gz WGAQMUBCUUIPLW-UHFFFAOYSA-N 1 1 472.586 2.629 50 0 JFAAMO COCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000034928125 569673256 /nfs/dbraw/zinc/67/32/56/569673256.db2.gz PHXHXXAMMRJISW-JWQCQUIFSA-N 1 1 463.578 2.929 50 0 JFAAMO COCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)CC1 ZINC000034928126 569673260 /nfs/dbraw/zinc/67/32/60/569673260.db2.gz PHXHXXAMMRJISW-LOSJGSFVSA-N 1 1 463.578 2.929 50 0 JFAAMO COc1cccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCOCC3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034928056 569673301 /nfs/dbraw/zinc/67/33/01/569673301.db2.gz CDPJDDFBLGSZAK-RPBOFIJWSA-N 1 1 463.578 2.977 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000035374652 569684166 /nfs/dbraw/zinc/68/41/66/569684166.db2.gz PQBZPXSNEYDBOO-KEIGDMNJSA-N 1 1 474.344 2.603 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000035374648 569684249 /nfs/dbraw/zinc/68/42/49/569684249.db2.gz PQBZPXSNEYDBOO-SPFFUNRUSA-N 1 1 474.344 2.603 50 0 JFAAMO C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000069926257 569693918 /nfs/dbraw/zinc/69/39/18/569693918.db2.gz LQSYETGWEYBFAU-JPYJTQIMSA-N 1 1 477.392 2.944 50 0 JFAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000071862786 569699133 /nfs/dbraw/zinc/69/91/33/569699133.db2.gz DJZSIRJFOUSZPH-UGKGYDQZSA-N 1 1 472.611 2.529 50 0 JFAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000071862786 569699134 /nfs/dbraw/zinc/69/91/34/569699134.db2.gz DJZSIRJFOUSZPH-UGKGYDQZSA-N 1 1 472.611 2.529 50 0 JFAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C(C)C)n4)sc3C)CC2)CC1 ZINC000035553994 569702583 /nfs/dbraw/zinc/70/25/83/569702583.db2.gz AQPVNEADTIDQKG-UHFFFAOYSA-N 1 1 495.671 2.795 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000035561942 569704567 /nfs/dbraw/zinc/70/45/67/569704567.db2.gz PEBBRASFPSABDC-FQEVSTJZSA-N 1 1 453.631 2.800 50 0 JFAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000095100968 569721681 /nfs/dbraw/zinc/72/16/81/569721681.db2.gz JIIWNXTVJPBJHZ-XMMPIXPASA-N 1 1 496.539 2.543 50 0 JFAAMO O=C(NCCCN1CCOCC1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035894130 569722825 /nfs/dbraw/zinc/72/28/25/569722825.db2.gz RMXIJQFKDLQBCY-AZGAKELHSA-N 1 1 466.601 2.527 50 0 JFAAMO C[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698507 569728593 /nfs/dbraw/zinc/72/85/93/569728593.db2.gz IINYQWGVMANIJV-MRXNPFEDSA-N 1 1 452.024 2.866 50 0 JFAAMO CC[C@@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)C1=O ZINC000097003104 569743948 /nfs/dbraw/zinc/74/39/48/569743948.db2.gz MKVZTTQHJKHDAE-HSZRJFAPSA-N 1 1 490.029 2.938 50 0 JFAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000100142061 569753699 /nfs/dbraw/zinc/75/36/99/569753699.db2.gz PRGMZPRTYSDCJM-RUZDIDTESA-N 1 1 464.610 2.905 50 0 JFAAMO COCCn1c(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000036042819 569754270 /nfs/dbraw/zinc/75/42/70/569754270.db2.gz FCXKTEGCQZQNGU-UHFFFAOYSA-N 1 1 493.674 2.684 50 0 JFAAMO COC(=O)c1sc2nc(C[N@H+](C[C@@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c2c1C ZINC000036206943 569756972 /nfs/dbraw/zinc/75/69/72/569756972.db2.gz LSBYFLITAQCSOE-QGZVFWFLSA-N 1 1 459.568 2.868 50 0 JFAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@@H](O)COCc3ccccc3)C(C)C)[nH]c(=O)c2c1C ZINC000036206943 569756975 /nfs/dbraw/zinc/75/69/75/569756975.db2.gz LSBYFLITAQCSOE-QGZVFWFLSA-N 1 1 459.568 2.868 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036342808 569766002 /nfs/dbraw/zinc/76/60/02/569766002.db2.gz UUNQKYOYQPADLO-QHCPKHFHSA-N 1 1 464.566 2.887 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036342810 569766014 /nfs/dbraw/zinc/76/60/14/569766014.db2.gz UUNQKYOYQPADLO-HSZRJFAPSA-N 1 1 464.566 2.887 50 0 JFAAMO Cc1cnc2c(cccc2S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036396026 569775005 /nfs/dbraw/zinc/77/50/05/569775005.db2.gz VVBIBPBIYRNMGT-QFIPXVFZSA-N 1 1 464.591 2.827 50 0 JFAAMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000036396969 569775153 /nfs/dbraw/zinc/77/51/53/569775153.db2.gz DIGTUVLAGXNQFW-HXUWFJFHSA-N 1 1 451.951 2.763 50 0 JFAAMO COc1ccc(CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000036601352 569777342 /nfs/dbraw/zinc/77/73/42/569777342.db2.gz OMENTCHNCFBYCH-OFNKIYASSA-N 1 1 495.663 2.773 50 0 JFAAMO COc1cc(C)ccc1OCC(=O)c1ccc2c(c1)N(CCCC(=O)N1CC[NH+](C)CC1)C(=O)CO2 ZINC000037275275 569782107 /nfs/dbraw/zinc/78/21/07/569782107.db2.gz FXICCFOMIAHJBO-UHFFFAOYSA-N 1 1 495.576 2.545 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000037526330 569793687 /nfs/dbraw/zinc/79/36/87/569793687.db2.gz VHERKMNLBUEDPD-UHFFFAOYSA-N 1 1 474.602 2.551 50 0 JFAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000038545797 569802545 /nfs/dbraw/zinc/80/25/45/569802545.db2.gz PEAIBHREERHMLW-VWLOTQADSA-N 1 1 451.542 2.749 50 0 JFAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000040068149 569815489 /nfs/dbraw/zinc/81/54/89/569815489.db2.gz WASGAVKJYWZJEB-UHFFFAOYSA-N 1 1 458.609 2.732 50 0 JFAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000040068149 569815490 /nfs/dbraw/zinc/81/54/90/569815490.db2.gz WASGAVKJYWZJEB-UHFFFAOYSA-N 1 1 458.609 2.732 50 0 JFAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000040081283 569815698 /nfs/dbraw/zinc/81/56/98/569815698.db2.gz JTYGQIOHBQAYGB-IPMKNSEASA-N 1 1 475.611 2.748 50 0 JFAAMO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N(CC[NH+](C)C)c2cccc(Br)c2)c1 ZINC000040158266 569821988 /nfs/dbraw/zinc/82/19/88/569821988.db2.gz UMXKMWAYUJLGQT-UHFFFAOYSA-N 1 1 499.383 2.779 50 0 JFAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000103868505 569838723 /nfs/dbraw/zinc/83/87/23/569838723.db2.gz VHWLCHCYPMWFEA-AABGKKOBSA-N 1 1 464.657 2.751 50 0 JFAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000104358808 569845278 /nfs/dbraw/zinc/84/52/78/569845278.db2.gz IZXZTGMTSDPFMU-QFQXNSOFSA-N 1 1 495.649 2.856 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000104395918 569845622 /nfs/dbraw/zinc/84/56/22/569845622.db2.gz OIFKQYQGXLLKAK-PMACEKPBSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)C3)ccc1F ZINC000104395918 569845623 /nfs/dbraw/zinc/84/56/23/569845623.db2.gz OIFKQYQGXLLKAK-PMACEKPBSA-N 1 1 478.561 2.869 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)no1 ZINC000105771243 569853385 /nfs/dbraw/zinc/85/33/85/569853385.db2.gz XSMYXSITIWYMKE-QUCCMNQESA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)no1 ZINC000105771243 569853386 /nfs/dbraw/zinc/85/33/86/569853386.db2.gz XSMYXSITIWYMKE-QUCCMNQESA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000105771243 569853387 /nfs/dbraw/zinc/85/33/87/569853387.db2.gz XSMYXSITIWYMKE-QUCCMNQESA-N 1 1 459.616 2.538 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000106135265 569853867 /nfs/dbraw/zinc/85/38/67/569853867.db2.gz HLPMHYUGSMHSSS-UTKZUKDTSA-N 1 1 460.600 2.644 50 0 JFAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000107494322 569856469 /nfs/dbraw/zinc/85/64/69/569856469.db2.gz NOWQVHFJOCZEKT-XZOQPEGZSA-N 1 1 471.623 2.928 50 0 JFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000195529572 569873516 /nfs/dbraw/zinc/87/35/16/569873516.db2.gz MIMANFQAUPQZRP-OALUTQOASA-N 1 1 459.612 2.866 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)nn1 ZINC000206146672 569874536 /nfs/dbraw/zinc/87/45/36/569874536.db2.gz AXGYUAKQPKELBZ-OSQCYLMUSA-N 1 1 493.608 2.830 50 0 JFAAMO COC(=O)C[C@H](c1cccs1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225422474 569996027 /nfs/dbraw/zinc/99/60/27/569996027.db2.gz PMMHCGNEYSCAGT-SOLBZPMBSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COC(=O)C[C@H](c1cccs1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225422474 569996029 /nfs/dbraw/zinc/99/60/29/569996029.db2.gz PMMHCGNEYSCAGT-SOLBZPMBSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000227041194 570039743 /nfs/dbraw/zinc/03/97/43/570039743.db2.gz KBMFWHVXHYDCLZ-MPWBWRNSSA-N 1 1 495.963 2.827 50 0 JFAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000227041194 570039744 /nfs/dbraw/zinc/03/97/44/570039744.db2.gz KBMFWHVXHYDCLZ-MPWBWRNSSA-N 1 1 495.963 2.827 50 0 JFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000230469051 570046430 /nfs/dbraw/zinc/04/64/30/570046430.db2.gz MQVIMSHJAAFVPS-GKVSMKOHSA-N 1 1 492.576 2.809 50 0 biogenic JFAAMO C[N@H+](CCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000244794586 570054314 /nfs/dbraw/zinc/05/43/14/570054314.db2.gz QPLUYVJIXHVKRS-ZWKOTPCHSA-N 1 1 469.028 2.997 50 0 JFAAMO C[N@@H+](CCC(=O)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000244794586 570054316 /nfs/dbraw/zinc/05/43/16/570054316.db2.gz QPLUYVJIXHVKRS-ZWKOTPCHSA-N 1 1 469.028 2.997 50 0 JFAAMO C[N@@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000248131687 570074913 /nfs/dbraw/zinc/07/49/13/570074913.db2.gz NLFBERLHILQLTK-XMSQKQJNSA-N 1 1 458.440 2.651 50 0 JFAAMO C[N@H+]1CCN2c3ccc(C(F)(F)F)cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000248131687 570074915 /nfs/dbraw/zinc/07/49/15/570074915.db2.gz NLFBERLHILQLTK-XMSQKQJNSA-N 1 1 458.440 2.651 50 0 JFAAMO CCCCN1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000248213029 570076211 /nfs/dbraw/zinc/07/62/11/570076211.db2.gz FCCFRZPQNNQUST-UXRROIJYSA-N 1 1 453.926 2.594 50 0 JFAAMO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252548517 570083370 /nfs/dbraw/zinc/08/33/70/570083370.db2.gz PZDJQUNSZMDEKQ-NYVOZVTQSA-N 1 1 451.571 2.606 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000003007177 194202123 /nfs/dbraw/zinc/20/21/23/194202123.db2.gz ZUGZIKAXIVBXAW-UHFFFAOYSA-N 1 1 478.640 2.896 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000003007177 194202125 /nfs/dbraw/zinc/20/21/25/194202125.db2.gz ZUGZIKAXIVBXAW-UHFFFAOYSA-N 1 1 478.640 2.896 50 0 JFAAMO CC(C)CN(C(=O)C[N@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003369462 194304824 /nfs/dbraw/zinc/30/48/24/194304824.db2.gz GHITWCLAQUVTBJ-UHFFFAOYSA-N 1 1 453.587 2.553 50 0 JFAAMO CC(C)CN(C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003369462 194304825 /nfs/dbraw/zinc/30/48/25/194304825.db2.gz GHITWCLAQUVTBJ-UHFFFAOYSA-N 1 1 453.587 2.553 50 0 JFAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)ccc2c1=O ZINC000004766376 194397633 /nfs/dbraw/zinc/39/76/33/194397633.db2.gz RAZLUUIGSZGQDI-UHFFFAOYSA-N 1 1 495.599 2.961 50 0 JFAAMO COc1ccccc1N1CC[NH+](C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000009933418 195025418 /nfs/dbraw/zinc/02/54/18/195025418.db2.gz BZNQTZGIPXMNFE-UHFFFAOYSA-N 1 1 472.611 2.629 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[N@H+](C)CCOc2cccc(C)c2)C2CCCC2)c(=O)[nH]c1=O ZINC000012762770 195111974 /nfs/dbraw/zinc/11/19/74/195111974.db2.gz HRODXTQBEXZJHO-UHFFFAOYSA-N 1 1 471.602 2.514 50 0 JFAAMO CCCCn1c(N)c(N(C(=O)C[N@@H+](C)CCOc2cccc(C)c2)C2CCCC2)c(=O)[nH]c1=O ZINC000012762770 195111976 /nfs/dbraw/zinc/11/19/76/195111976.db2.gz HRODXTQBEXZJHO-UHFFFAOYSA-N 1 1 471.602 2.514 50 0 JFAAMO O=S(=O)(c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc1)N1CCOCC1 ZINC000012778252 195122668 /nfs/dbraw/zinc/12/26/68/195122668.db2.gz FNIQMYWTOOVQQN-UHFFFAOYSA-N 1 1 473.986 2.631 50 0 JFAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 ZINC000012786315 195128247 /nfs/dbraw/zinc/12/82/47/195128247.db2.gz YZDGOUMZYZJKKC-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 ZINC000012786315 195128250 /nfs/dbraw/zinc/12/82/50/195128250.db2.gz YZDGOUMZYZJKKC-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 ZINC000012786309 195128348 /nfs/dbraw/zinc/12/83/48/195128348.db2.gz YZDGOUMZYZJKKC-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c(OC)c1 ZINC000012786309 195128351 /nfs/dbraw/zinc/12/83/51/195128351.db2.gz YZDGOUMZYZJKKC-QHCPKHFHSA-N 1 1 484.572 2.763 50 0 JFAAMO O=C(C1CCN([C@H]2CCS(=O)(=O)C2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012812086 195144726 /nfs/dbraw/zinc/14/47/26/195144726.db2.gz WRVGNVUMIDRLEE-VWLOTQADSA-N 1 1 481.662 2.819 50 0 JFAAMO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(Br)c1O ZINC000012818079 195148029 /nfs/dbraw/zinc/14/80/29/195148029.db2.gz JGNRDTLPPMIASV-QGZVFWFLSA-N 1 1 460.288 2.771 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020610483 195183626 /nfs/dbraw/zinc/18/36/26/195183626.db2.gz RPMGTRBJSCHNNU-DOWOIAEBSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO CC1(C)CCc2c(cc(OCC(=O)NCCC[NH+]3CCOCC3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000020756986 195216373 /nfs/dbraw/zinc/21/63/73/195216373.db2.gz MTDYZSIDIYVVGY-UHFFFAOYSA-N 1 1 470.566 2.603 50 0 biogenic JFAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)c(C)c1C ZINC000020905514 195244862 /nfs/dbraw/zinc/24/48/62/195244862.db2.gz IXOAKYFIVLZVBW-UHFFFAOYSA-N 1 1 463.582 2.700 50 0 JFAAMO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020944080 195256378 /nfs/dbraw/zinc/25/63/78/195256378.db2.gz XZSGAUWAMPJQHH-UHFFFAOYSA-N 1 1 473.021 2.609 50 0 JFAAMO O=C(CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020995536 195264290 /nfs/dbraw/zinc/26/42/90/195264290.db2.gz NMCVXYCMOIFEQL-UHFFFAOYSA-N 1 1 495.645 2.930 50 0 JFAAMO CCC[C@H](C)[N@H+]1Cc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)cc2C1 ZINC000058330718 195377893 /nfs/dbraw/zinc/37/78/93/195377893.db2.gz APLOVBYWLZLFTN-KRWDZBQOSA-N 1 1 470.595 2.564 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478330 195343479 /nfs/dbraw/zinc/34/34/79/195343479.db2.gz QWCILOHRBPUKTQ-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000058434466 195379194 /nfs/dbraw/zinc/37/91/94/195379194.db2.gz WJWYANTZGJQJFL-INIZCTEOSA-N 1 1 456.509 2.719 50 0 JFAAMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000058434466 195379196 /nfs/dbraw/zinc/37/91/96/195379196.db2.gz WJWYANTZGJQJFL-INIZCTEOSA-N 1 1 456.509 2.719 50 0 JFAAMO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000058297213 195376149 /nfs/dbraw/zinc/37/61/49/195376149.db2.gz CJPGPZUWCCTWDD-INIZCTEOSA-N 1 1 467.389 2.531 50 0 JFAAMO CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(C(=O)NCCC[NH+]5CCOCC5)nc4c23)C1 ZINC000020519523 518946969 /nfs/dbraw/zinc/94/69/69/518946969.db2.gz OKQMUTLMQKPSJL-OAHLLOKOSA-N 1 1 456.616 2.942 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](CCCOC)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206003 520091952 /nfs/dbraw/zinc/09/19/52/520091952.db2.gz QYSCMSLIJNENGC-KRWDZBQOSA-N 1 1 491.610 2.905 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206003 520091963 /nfs/dbraw/zinc/09/19/63/520091963.db2.gz QYSCMSLIJNENGC-KRWDZBQOSA-N 1 1 491.610 2.905 50 0 JFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000048310090 520257969 /nfs/dbraw/zinc/25/79/69/520257969.db2.gz MIMANFQAUPQZRP-RTBURBONSA-N 1 1 459.612 2.866 50 0 JFAAMO CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2NC(C)=O)c1 ZINC000033033573 520552565 /nfs/dbraw/zinc/55/25/65/520552565.db2.gz TYCIUUAJKPXFJO-UHFFFAOYSA-N 1 1 487.626 2.646 50 0 JFAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000048286147 520674708 /nfs/dbraw/zinc/67/47/08/520674708.db2.gz STPOBOGEOYKERK-GOSISDBHSA-N 1 1 456.605 2.912 50 0 JFAAMO CCC[C@@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012246983 520956492 /nfs/dbraw/zinc/95/64/92/520956492.db2.gz MACHVWYNGKTXRH-MMSOJTGRSA-N 1 1 467.614 2.908 50 0 JFAAMO CCC[C@]1(C2CCN(C(=O)C=Cc3ccccn3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012246984 521312195 /nfs/dbraw/zinc/31/21/95/521312195.db2.gz MACHVWYNGKTXRH-HHGNVERRSA-N 1 1 467.614 2.908 50 0 JFAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@H](O)COC ZINC000036310060 521537799 /nfs/dbraw/zinc/53/77/99/521537799.db2.gz AAZBHMCZGGDYGF-AVRDEDQJSA-N 1 1 462.612 2.981 50 0 JFAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048263706 521637122 /nfs/dbraw/zinc/63/71/22/521637122.db2.gz YXHWKPYAVWPRED-HSALFYBXSA-N 1 1 477.675 2.770 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)C2)CC1 ZINC000033250778 521669271 /nfs/dbraw/zinc/66/92/71/521669271.db2.gz OWESGXCLUIJLRB-CFGKVWFZSA-N 1 1 490.601 2.857 50 0 JFAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N2CCOCC2)C(=O)Nc2cc(C)ccc2O3)CC1 ZINC000064986760 521697227 /nfs/dbraw/zinc/69/72/27/521697227.db2.gz BGNYAFHGTOACOP-UHFFFAOYSA-N 1 1 486.594 2.516 50 0 JFAAMO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697593 522063139 /nfs/dbraw/zinc/06/31/39/522063139.db2.gz CSFDABVKRNWYJW-RUZDIDTESA-N 1 1 464.566 2.824 50 0 JFAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)c1ccc(F)cc1 ZINC000048344467 522089317 /nfs/dbraw/zinc/08/93/17/522089317.db2.gz YTGZEXFKPCWPAC-OAHLLOKOSA-N 1 1 472.336 2.500 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc(OC)c1OC ZINC000014994779 522398964 /nfs/dbraw/zinc/39/89/64/522398964.db2.gz JQPYJPKPKMGJIQ-UHFFFAOYSA-N 1 1 479.581 2.643 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)cc(OC)c1OC ZINC000014994779 522398974 /nfs/dbraw/zinc/39/89/74/522398974.db2.gz JQPYJPKPKMGJIQ-UHFFFAOYSA-N 1 1 479.581 2.643 50 0 JFAAMO COCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000020388773 522898551 /nfs/dbraw/zinc/89/85/51/522898551.db2.gz ARUXCOYBWOWNJF-UHFFFAOYSA-N 1 1 482.610 2.912 50 0 JFAAMO CN(CCc1noc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)n1)C(=O)c1ccccc1F ZINC000033273563 522996551 /nfs/dbraw/zinc/99/65/51/522996551.db2.gz HOKKNMLMIDQOJU-UHFFFAOYSA-N 1 1 495.555 2.643 50 0 JFAAMO CCn1c(=O)c(N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)nc2cccnc21 ZINC000033258975 523100443 /nfs/dbraw/zinc/10/04/43/523100443.db2.gz HAOMPORNBTYCCI-UHFFFAOYSA-N 1 1 474.609 2.592 50 0 JFAAMO CCn1c(=O)c(N2CCC(C(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)CC2)nc2cccnc21 ZINC000033258983 523100844 /nfs/dbraw/zinc/10/08/44/523100844.db2.gz RRPZAQBGXNXHMY-JOCHJYFZSA-N 1 1 488.636 2.975 50 0 JFAAMO COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000033268905 523156110 /nfs/dbraw/zinc/15/61/10/523156110.db2.gz ZGTSJBYYRPGCSN-UHFFFAOYSA-N 1 1 485.610 2.653 50 0 JFAAMO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3c(C)nc4sccn34)CC2)C1=O ZINC000014750600 523170242 /nfs/dbraw/zinc/17/02/42/523170242.db2.gz RTRYOSMOUYSHEZ-UHFFFAOYSA-N 1 1 495.605 2.719 50 0 JFAAMO CN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000048324041 523234036 /nfs/dbraw/zinc/23/40/36/523234036.db2.gz XXEDWKAIMFGFDK-QFIPXVFZSA-N 1 1 460.987 2.947 50 0 JFAAMO COCCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccco1 ZINC000036157078 523268906 /nfs/dbraw/zinc/26/89/06/523268906.db2.gz MZYHCYSFDKZRQM-INIZCTEOSA-N 1 1 461.584 2.873 50 0 JFAAMO COCCC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)COCc1ccco1 ZINC000036157078 523268913 /nfs/dbraw/zinc/26/89/13/523268913.db2.gz MZYHCYSFDKZRQM-INIZCTEOSA-N 1 1 461.584 2.873 50 0 JFAAMO 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O=C(CSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1)N1CCCCC1 ZINC000015414158 555905773 /nfs/dbraw/zinc/90/57/73/555905773.db2.gz XOICHLAOZYGDLT-UHFFFAOYSA-N 1 1 469.636 2.856 50 0 JFAAMO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022276170 555913367 /nfs/dbraw/zinc/91/33/67/555913367.db2.gz JRRJDBHABARYKD-UHFFFAOYSA-N 1 1 479.606 2.913 50 0 JFAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)c1ccco1 ZINC000022381484 555927791 /nfs/dbraw/zinc/92/77/91/555927791.db2.gz XZUGNXDEQGSATN-LJQANCHMSA-N 1 1 471.535 2.520 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)[N@H+](Cc3ccccc3)C2)nn1 ZINC000012183823 555936041 /nfs/dbraw/zinc/93/60/41/555936041.db2.gz HPROQTJLNFGFMJ-URXFXBBRSA-N 1 1 470.533 2.745 50 0 JFAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000012183823 555936042 /nfs/dbraw/zinc/93/60/42/555936042.db2.gz HPROQTJLNFGFMJ-URXFXBBRSA-N 1 1 470.533 2.745 50 0 JFAAMO COc1ccc(-c2noc(CN3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)n2)cc1OC ZINC000015726440 555964699 /nfs/dbraw/zinc/96/46/99/555964699.db2.gz JXEZEBUVWKIZBZ-GOSISDBHSA-N 1 1 471.602 2.956 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1ccc(F)c(F)c1 ZINC000022909291 555967166 /nfs/dbraw/zinc/96/71/66/555967166.db2.gz OZCJDHZQODKZIH-UHFFFAOYSA-N 1 1 478.565 2.853 50 0 JFAAMO O=C(CN1CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1)N1CCCCC1 ZINC000022912311 555968084 /nfs/dbraw/zinc/96/80/84/555968084.db2.gz XLNXDZKDRVSPDT-RUZDIDTESA-N 1 1 451.611 2.784 50 0 JFAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000022917816 555971450 /nfs/dbraw/zinc/97/14/50/555971450.db2.gz LUUYPHLLLQEQIB-UHFFFAOYSA-N 1 1 456.612 2.618 50 0 JFAAMO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccncc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000022946851 555993530 /nfs/dbraw/zinc/99/35/30/555993530.db2.gz UGZXQNAZNSZZFX-XMMPIXPASA-N 1 1 463.582 2.803 50 0 JFAAMO C[N@@H+](CCNC(=O)C1CCN(c2nnc(N3CCCCC3=O)s2)CC1)Cc1ccccc1 ZINC000015777499 555997185 /nfs/dbraw/zinc/99/71/85/555997185.db2.gz KMYVWOSRPOGHMP-UHFFFAOYSA-N 1 1 456.616 2.520 50 0 JFAAMO Cc1ccc(Cn2c(N3CC[NH+](C/C=C/c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000012531576 556001513 /nfs/dbraw/zinc/00/15/13/556001513.db2.gz GPWIHXSQOHAMFK-RMKNXTFCSA-N 1 1 470.577 2.615 50 0 JFAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccco1 ZINC000012552517 556035627 /nfs/dbraw/zinc/03/56/27/556035627.db2.gz WAAZAMGCFAPASQ-LJQANCHMSA-N 1 1 471.535 2.884 50 0 JFAAMO CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000012558196 556047090 /nfs/dbraw/zinc/04/70/90/556047090.db2.gz COPWWGMKVGKWPT-FQEVSTJZSA-N 1 1 452.574 2.883 50 0 JFAAMO CC(C)CN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868988 556047671 /nfs/dbraw/zinc/04/76/71/556047671.db2.gz ISALILQHMHTAFC-UHFFFAOYSA-N 1 1 471.689 2.616 50 0 JFAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@H+](Cc1cccc(O)c1)CC2 ZINC000023340378 556047724 /nfs/dbraw/zinc/04/77/24/556047724.db2.gz BEFOFBRFYKOPET-UHFFFAOYSA-N 1 1 463.534 2.805 50 0 JFAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](Cc1cccc(O)c1)CC2 ZINC000023340378 556047725 /nfs/dbraw/zinc/04/77/25/556047725.db2.gz BEFOFBRFYKOPET-UHFFFAOYSA-N 1 1 463.534 2.805 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000012567382 556066273 /nfs/dbraw/zinc/06/62/73/556066273.db2.gz RMFOWQAWHWLXBE-QHCPKHFHSA-N 1 1 499.633 2.826 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000012567382 556066275 /nfs/dbraw/zinc/06/62/75/556066275.db2.gz RMFOWQAWHWLXBE-QHCPKHFHSA-N 1 1 499.633 2.826 50 0 JFAAMO Cc1cc(C)n2nc(SCc3ccccc3C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)nc2n1 ZINC000012568901 556070323 /nfs/dbraw/zinc/07/03/23/556070323.db2.gz VAHKERIGGFFIOQ-HXUWFJFHSA-N 1 1 466.611 2.970 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012569359 556071690 /nfs/dbraw/zinc/07/16/90/556071690.db2.gz ZYBQQBGNNMXGBS-QFIPXVFZSA-N 1 1 487.622 2.942 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012569359 556071694 /nfs/dbraw/zinc/07/16/94/556071694.db2.gz ZYBQQBGNNMXGBS-QFIPXVFZSA-N 1 1 487.622 2.942 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012569316 556071759 /nfs/dbraw/zinc/07/17/59/556071759.db2.gz GNMAVAKPIYEQOR-QHCPKHFHSA-N 1 1 477.609 2.733 50 0 JFAAMO O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000023702909 556084215 /nfs/dbraw/zinc/08/42/15/556084215.db2.gz BYTYRKXVIDUFJL-JOCHJYFZSA-N 1 1 463.644 2.507 50 0 JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015957547 556089131 /nfs/dbraw/zinc/08/91/31/556089131.db2.gz PCMJCICWFLOSKM-UNKHORCTSA-N 1 1 465.893 2.808 50 0 biogenic JFAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015957547 556089134 /nfs/dbraw/zinc/08/91/34/556089134.db2.gz PCMJCICWFLOSKM-UNKHORCTSA-N 1 1 465.893 2.808 50 0 biogenic JFAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023844481 556090880 /nfs/dbraw/zinc/09/08/80/556090880.db2.gz SMBIZFZBXVYHLW-QFIPXVFZSA-N 1 1 467.566 2.914 50 0 JFAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023844481 556090882 /nfs/dbraw/zinc/09/08/82/556090882.db2.gz SMBIZFZBXVYHLW-QFIPXVFZSA-N 1 1 467.566 2.914 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000023956514 556105529 /nfs/dbraw/zinc/10/55/29/556105529.db2.gz XPTYOXOXQYTPIF-UHFFFAOYSA-N 1 1 495.583 2.802 50 0 JFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000024987981 556169993 /nfs/dbraw/zinc/16/99/93/556169993.db2.gz LDULLRYNAIDUJV-GOSISDBHSA-N 1 1 467.975 2.521 50 0 JFAAMO NC(=O)C1(Nc2ccc(F)cc2)CC[NH+]([C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000018217989 556312523 /nfs/dbraw/zinc/31/25/23/556312523.db2.gz UNVAZFMNMVDZHR-LJQANCHMSA-N 1 1 458.921 2.539 50 0 JFAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000019810108 556380985 /nfs/dbraw/zinc/38/09/85/556380985.db2.gz MLNVCHQIWHEXME-UHFFFAOYSA-N 1 1 455.502 2.816 50 0 JFAAMO CC[NH+]1CCN(C(=O)c2nc(-c3ccc(F)cc3)cc3c2nc(C)n3[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000032501625 556437111 /nfs/dbraw/zinc/43/71/11/556437111.db2.gz LORIPDMLAZXXTD-LJQANCHMSA-N 1 1 485.585 2.683 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)n2c3cc(C)c(C)cc3nc(C(F)(F)F)c2=O)CC1 ZINC000032945095 556559657 /nfs/dbraw/zinc/55/96/57/556559657.db2.gz BEKKCAAUEDBCJD-QGZVFWFLSA-N 1 1 467.536 2.737 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414741 569600261 /nfs/dbraw/zinc/60/02/61/569600261.db2.gz OOQUKDVASJUXGH-DEOSSOPVSA-N 1 1 464.566 2.684 50 0 JFAAMO CCOc1ccc([C@@H]2NC(=O)NC(CN3CCC([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000057415343 569600705 /nfs/dbraw/zinc/60/07/05/569600705.db2.gz FVOUNNYKNQUKTP-QHCPKHFHSA-N 1 1 456.587 2.817 50 0 JFAAMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000060162235 569608545 /nfs/dbraw/zinc/60/85/45/569608545.db2.gz NOWQVHFJOCZEKT-GOTSBHOMSA-N 1 1 471.623 2.928 50 0 JFAAMO COc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064836143 569636781 /nfs/dbraw/zinc/63/67/81/569636781.db2.gz QRNSORGPJGPQTN-UHFFFAOYSA-N 1 1 457.534 2.530 50 0 JFAAMO CCn1c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835977 569636837 /nfs/dbraw/zinc/63/68/37/569636837.db2.gz FGSHVXKWWXVXAV-UHFFFAOYSA-N 1 1 476.625 2.680 50 0 JFAAMO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677531 569641868 /nfs/dbraw/zinc/64/18/68/569641868.db2.gz PJETULQMEHDEGZ-IBGZPJMESA-N 1 1 450.967 2.731 50 0 JFAAMO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677507 569641904 /nfs/dbraw/zinc/64/19/04/569641904.db2.gz IXZRCSXXWRHYTK-KRWDZBQOSA-N 1 1 468.957 2.871 50 0 JFAAMO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)Cc4ccccc4)CC3)n2)cc1 ZINC000034678408 569642260 /nfs/dbraw/zinc/64/22/60/569642260.db2.gz AJGFEQZVUFBDJP-NRFANRHFSA-N 1 1 450.539 2.657 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)ncn2CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064889061 569642457 /nfs/dbraw/zinc/64/24/57/569642457.db2.gz RTUMIOTYFUFTEV-UHFFFAOYSA-N 1 1 483.638 2.801 50 0 JFAAMO CCOC(=O)C1CCN(C(=O)c2csc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000034685183 569644910 /nfs/dbraw/zinc/64/49/10/569644910.db2.gz NHSIKZFSRCVCIQ-UHFFFAOYSA-N 1 1 456.612 2.876 50 0 JFAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062299 569655798 /nfs/dbraw/zinc/65/57/98/569655798.db2.gz UBDBYEVALQRIHQ-KRWDZBQOSA-N 1 1 491.123 2.582 50 0 JFAAMO Cc1ccccc1C(=O)Nc1ccc(-n2cccc(C(=O)NCCC[NH+]3CCOCC3)c2=O)cc1 ZINC000065062730 569656083 /nfs/dbraw/zinc/65/60/83/569656083.db2.gz SQMHJELQTUKIII-UHFFFAOYSA-N 1 1 474.561 2.850 50 0 JFAAMO CC(C)c1cc(=O)n(CC2CC2)c2cc(OCC(=O)NCCC[NH+]3CCN(C)CC3)ccc12 ZINC000034836283 569665271 /nfs/dbraw/zinc/66/52/71/569665271.db2.gz XMAXETOEROUNHC-UHFFFAOYSA-N 1 1 454.615 2.667 50 0 JFAAMO Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)NCCC[NH+]3CCN(C)CC3)ccc12 ZINC000034836021 569665315 /nfs/dbraw/zinc/66/53/15/569665315.db2.gz WRZORPKFBIJTHZ-UHFFFAOYSA-N 1 1 480.584 2.630 50 0 JFAAMO Cc1nc(-c2csc(S(=O)(=O)NCC[NH+]3CCCC3)c2)sc1C(=O)N1CCCC1 ZINC000065117045 569666812 /nfs/dbraw/zinc/66/68/12/569666812.db2.gz PMTTWTKDWHWPDL-UHFFFAOYSA-N 1 1 454.643 2.790 50 0 JFAAMO CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](CCOC)CC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000034927973 569673271 /nfs/dbraw/zinc/67/32/71/569673271.db2.gz HTOMJZSSFUKKPN-LOSJGSFVSA-N 1 1 479.577 2.897 50 0 JFAAMO CCOc1ccc([C@H]2NC(=O)NC(CN3CC[NH+](C4CCCCC4)CC3)=C2C(=O)OC)cc1 ZINC000067287201 569684292 /nfs/dbraw/zinc/68/42/92/569684292.db2.gz QKCNHDHPUDRXRM-HSZRJFAPSA-N 1 1 456.587 2.817 50 0 JFAAMO O=C(CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1)N[C@@H]1CCCc2ccccc21 ZINC000069393611 569692904 /nfs/dbraw/zinc/69/29/04/569692904.db2.gz YQWCTGWPYPGQTJ-DNRSQYFGSA-N 1 1 488.632 2.812 50 0 JFAAMO C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000069926268 569693935 /nfs/dbraw/zinc/69/39/35/569693935.db2.gz LQSYETGWEYBFAU-FDDCHVKYSA-N 1 1 477.392 2.944 50 0 JFAAMO NC(=O)[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4c(ccn4CC[NH+]4CCOCC4)c3)cc2)C1 ZINC000070012136 569694752 /nfs/dbraw/zinc/69/47/52/569694752.db2.gz CIBUMKJJSXBHDS-QFIPXVFZSA-N 1 1 475.593 2.928 50 0 JFAAMO COc1cccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000084459755 569709236 /nfs/dbraw/zinc/70/92/36/569709236.db2.gz OKNILWKYNFQNKR-NRFANRHFSA-N 1 1 489.572 2.502 50 0 JFAAMO COc1cccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000084459754 569709241 /nfs/dbraw/zinc/70/92/41/569709241.db2.gz OKNILWKYNFQNKR-OAQYLSRUSA-N 1 1 489.572 2.502 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844031 569714750 /nfs/dbraw/zinc/71/47/50/569714750.db2.gz NFPIGKHDJZHKST-RSOWOLOUSA-N 1 1 465.893 2.808 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035844031 569714751 /nfs/dbraw/zinc/71/47/51/569714751.db2.gz NFPIGKHDJZHKST-RSOWOLOUSA-N 1 1 465.893 2.808 50 0 JFAAMO CCC[NH+]1CCN(C(=O)c2cn(C3CC3)c3cc(N4CCN(CC)CC4)c(F)cc3c2=O)CC1 ZINC000095101187 569721791 /nfs/dbraw/zinc/72/17/91/569721791.db2.gz YUOPIPDENSKRLN-UHFFFAOYSA-N 1 1 469.605 2.785 50 0 JFAAMO O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908063 569723831 /nfs/dbraw/zinc/72/38/31/569723831.db2.gz HHKVYXMKMZHDRG-JTHBVZDNSA-N 1 1 480.575 2.759 50 0 JFAAMO CC(C)(C)CC(=O)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926536 569729756 /nfs/dbraw/zinc/72/97/56/569729756.db2.gz HLSANLHJZCZCLM-UHFFFAOYSA-N 1 1 466.630 2.567 50 0 JFAAMO Cc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)NC4CCCCC4)CC3)n2)CC1 ZINC000035926794 569730016 /nfs/dbraw/zinc/73/00/16/569730016.db2.gz HZHISLZOYOBKIA-UHFFFAOYSA-N 1 1 493.656 2.565 50 0 JFAAMO COc1cccc(C[N@H+]2CCCN(c3nc(CN4CCN(c5ccccc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926818 569730049 /nfs/dbraw/zinc/73/00/49/569730049.db2.gz HMTSWWDBBBZPBO-UHFFFAOYSA-N 1 1 488.636 2.813 50 0 JFAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)c(OC)c1 ZINC000036342591 569765995 /nfs/dbraw/zinc/76/59/95/569765995.db2.gz ZODMNMXVNVZBMC-JOCHJYFZSA-N 1 1 468.529 2.718 50 0 JFAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343253 569766377 /nfs/dbraw/zinc/76/63/77/569766377.db2.gz PVWGGDYXSUETPN-QHCPKHFHSA-N 1 1 452.555 2.638 50 0 JFAAMO Cc1cnc2c(cccc2S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036396025 569774968 /nfs/dbraw/zinc/77/49/68/569774968.db2.gz VVBIBPBIYRNMGT-JOCHJYFZSA-N 1 1 464.591 2.827 50 0 JFAAMO COc1ccc(CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000036601350 569777394 /nfs/dbraw/zinc/77/73/94/569777394.db2.gz OMENTCHNCFBYCH-NFBKMPQASA-N 1 1 495.663 2.773 50 0 JFAAMO CC[NH+]1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)c(Cl)c3)c2=O)CC1 ZINC000037398511 569787212 /nfs/dbraw/zinc/78/72/12/569787212.db2.gz PTBCYIUFIGCPKX-UHFFFAOYSA-N 1 1 461.349 2.623 50 0 JFAAMO O=C(c1ccc(F)cc1F)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000037613863 569799460 /nfs/dbraw/zinc/79/94/60/569799460.db2.gz IJCXKWZVTMHVFX-FQEVSTJZSA-N 1 1 461.484 2.793 50 0 JFAAMO O=C(c1ccc(F)cc1F)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000037613863 569799461 /nfs/dbraw/zinc/79/94/61/569799461.db2.gz IJCXKWZVTMHVFX-FQEVSTJZSA-N 1 1 461.484 2.793 50 0 JFAAMO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000040157548 569821663 /nfs/dbraw/zinc/82/16/63/569821663.db2.gz KKHYPIIOIOAHCM-UHFFFAOYSA-N 1 1 451.633 2.868 50 0 JFAAMO CC(C)C[N@H+]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000040158147 569821891 /nfs/dbraw/zinc/82/18/91/569821891.db2.gz JYFYLCNYYDTVES-OAHLLOKOSA-N 1 1 478.478 2.854 50 0 JFAAMO Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)n1 ZINC000040267931 569823366 /nfs/dbraw/zinc/82/33/66/569823366.db2.gz OWTBFRWAVRTNPY-UHFFFAOYSA-N 1 1 482.588 2.980 50 0 JFAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[N@H+]3CCCC[C@H]3C)cc21 ZINC000040450364 569828388 /nfs/dbraw/zinc/82/83/88/569828388.db2.gz XXASQCLVGKNBEM-CQSZACIVSA-N 1 1 458.422 2.901 50 0 JFAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050765 569832391 /nfs/dbraw/zinc/83/23/91/569832391.db2.gz BUNNSOCGHJBNJX-QFIPXVFZSA-N 1 1 470.595 2.997 50 0 JFAAMO CS(=O)(=O)Nc1ccc2oc(C[N@H+]3CCc4ccc(NS(C)(=O)=O)cc4CC3)cc2c1 ZINC000040791570 569834744 /nfs/dbraw/zinc/83/47/44/569834744.db2.gz AIXIFXRQFBLTQY-UHFFFAOYSA-N 1 1 463.581 2.777 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1F)C[C@H](O)COC ZINC000105004333 569849662 /nfs/dbraw/zinc/84/96/62/569849662.db2.gz GSAAFICXRBMXLQ-GHTZIAJQSA-N 1 1 480.602 2.738 50 0 JFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@@]32c3ccccc3N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000169678454 569869164 /nfs/dbraw/zinc/86/91/64/569869164.db2.gz ZOABRWTVQIWRCJ-HXJDATGISA-N 1 1 494.551 2.973 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC ZINC000169679244 569869652 /nfs/dbraw/zinc/86/96/52/569869652.db2.gz QUBOXEUWDFQLPE-IRLDBZIGSA-N 1 1 476.639 2.825 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COC ZINC000169679244 569869653 /nfs/dbraw/zinc/86/96/53/569869653.db2.gz QUBOXEUWDFQLPE-IRLDBZIGSA-N 1 1 476.639 2.825 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169679249 569869675 /nfs/dbraw/zinc/86/96/75/569869675.db2.gz AEKCGJRKXBOZGA-KNQAVFIVSA-N 1 1 462.612 2.517 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COC ZINC000169679249 569869676 /nfs/dbraw/zinc/86/96/76/569869676.db2.gz AEKCGJRKXBOZGA-KNQAVFIVSA-N 1 1 462.612 2.517 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000169679412 569869780 /nfs/dbraw/zinc/86/97/80/569869780.db2.gz QPJJCASWRFQJPY-AZGAKELHSA-N 1 1 482.600 2.540 50 0 JFAAMO COCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169680329 569870318 /nfs/dbraw/zinc/87/03/18/569870318.db2.gz BAHSCAMDIYSGBO-KNQAVFIVSA-N 1 1 462.612 2.517 50 0 JFAAMO COCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169680329 569870319 /nfs/dbraw/zinc/87/03/19/569870319.db2.gz BAHSCAMDIYSGBO-KNQAVFIVSA-N 1 1 462.612 2.517 50 0 JFAAMO O=c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCc3ccccc3C2)c1O ZINC000225408799 569995374 /nfs/dbraw/zinc/99/53/74/569995374.db2.gz FVAHCJAUZBVLNI-NQIIRXRSSA-N 1 1 459.546 2.685 50 0 biogenic JFAAMO O=c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCc3ccccc3C2)c1O ZINC000225408799 569995375 /nfs/dbraw/zinc/99/53/75/569995375.db2.gz FVAHCJAUZBVLNI-NQIIRXRSSA-N 1 1 459.546 2.685 50 0 biogenic JFAAMO COC(=O)C[C@H](c1ccsc1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225415683 569995771 /nfs/dbraw/zinc/99/57/71/569995771.db2.gz QWDBKCCOHAZDKH-HHXXYDBFSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COC(=O)C[C@H](c1ccsc1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225415683 569995772 /nfs/dbraw/zinc/99/57/72/569995772.db2.gz QWDBKCCOHAZDKH-HHXXYDBFSA-N 1 1 482.558 2.883 50 0 biogenic JFAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CC(N)=O)[NH2+][C@@]12c1cc(Cl)cc(C)c1NC2=O ZINC000229668379 570041014 /nfs/dbraw/zinc/04/10/14/570041014.db2.gz BRWUYCPEJAIJGQ-XUHFEKCNSA-N 1 1 477.348 2.950 50 0 JFAAMO COc1ccc2c(c1)N1CCN(c3ccccc3Cl)C[C@H]1[C@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000230137804 570045625 /nfs/dbraw/zinc/04/56/25/570045625.db2.gz RYUOHRPYIOIKQK-YKSBVNFPSA-N 1 1 455.002 2.990 50 0 JFAAMO O=C1COC2(C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](NS(=O)(=O)C2CC2)c2ccccc2)CN1C1CC1 ZINC000240122483 570052903 /nfs/dbraw/zinc/05/29/03/570052903.db2.gz WAAGQORWWAYZDX-PPLMLPQLSA-N 1 1 473.639 2.586 50 0 JFAAMO COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1 ZINC000245279151 570061399 /nfs/dbraw/zinc/06/13/99/570061399.db2.gz FKRYEOOBZZZMIE-PGRDOPGGSA-N 1 1 460.596 2.733 50 0 JFAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)Cc1ccco1 ZINC000245289606 570062601 /nfs/dbraw/zinc/06/26/01/570062601.db2.gz CZYNOWLCDXWTMI-ORYQWCPZSA-N 1 1 490.651 2.990 50 0 JFAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H]([C@H](O)c3ccc(Cl)cc3)[NH2+][C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000248240736 570076581 /nfs/dbraw/zinc/07/65/81/570076581.db2.gz OHOFGOANDVJBSY-LDAQIHBESA-N 1 1 471.916 2.732 50 0 JFAAMO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3sc(C)c(C)c3C(=O)OC)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000249702286 570079005 /nfs/dbraw/zinc/07/90/05/570079005.db2.gz ZAXCYTAEYWYOIT-LKLYCGAKSA-N 1 1 493.585 2.997 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000251986135 570079680 /nfs/dbraw/zinc/07/96/80/570079680.db2.gz HLPMHYUGSMHSSS-DYESRHJHSA-N 1 1 460.600 2.644 50 0 JFAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000253413816 570098314 /nfs/dbraw/zinc/09/83/14/570098314.db2.gz VTHDCSIUBNVWHF-AJSBUHFISA-N 1 1 465.598 2.744 50 0 biogenic JFAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000263585182 570170975 /nfs/dbraw/zinc/17/09/75/570170975.db2.gz GAPGMZFVKJTQGF-TUNNFDKTSA-N 1 1 471.598 2.550 50 0 biogenic JFAAMO CC(C)C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000299788449 570176795 /nfs/dbraw/zinc/17/67/95/570176795.db2.gz SHZOJYKCFAVSRP-WIOPSUGQSA-N 1 1 460.638 2.933 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611056 195184569 /nfs/dbraw/zinc/18/45/69/195184569.db2.gz FEFACXBMORQQRK-DOWOIAEBSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO Cc1c(C)c2c(OCC(=O)NCCC[NH+]3CCOCC3)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000020757102 195216356 /nfs/dbraw/zinc/21/63/56/195216356.db2.gz WGYKBNOOIYHDNH-UHFFFAOYSA-N 1 1 458.555 2.731 50 0 biogenic JFAAMO COc1cc2nc(CSCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)[nH]c(=O)c2cc1OC ZINC000020762193 195218639 /nfs/dbraw/zinc/21/86/39/195218639.db2.gz LCVVTZARYONMQS-MAUKXSAKSA-N 1 1 460.600 2.554 50 0 biogenic JFAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2cc(C)ccc2O1 ZINC000020902414 195241676 /nfs/dbraw/zinc/24/16/76/195241676.db2.gz FRYQOUBEHAMKHE-OAQYLSRUSA-N 1 1 458.603 2.643 50 0 JFAAMO CN1c2cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)ccc2N2CCCC[C@H]2C1=O ZINC000021087763 195273849 /nfs/dbraw/zinc/27/38/49/195273849.db2.gz AIJIIFRIKOFXQA-VWLOTQADSA-N 1 1 475.637 2.960 50 0 JFAAMO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000058297211 195376087 /nfs/dbraw/zinc/37/60/87/195376087.db2.gz CJPGPZUWCCTWDD-MRXNPFEDSA-N 1 1 467.389 2.531 50 0 JFAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000033254644 519730163 /nfs/dbraw/zinc/73/01/63/519730163.db2.gz HMAQAQGPDVWBAA-IBGZPJMESA-N 1 1 478.659 2.817 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036308991 520092526 /nfs/dbraw/zinc/09/25/26/520092526.db2.gz NDUTVZNDSPBAMD-FPOVZHCZSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036308991 520092535 /nfs/dbraw/zinc/09/25/35/520092535.db2.gz NDUTVZNDSPBAMD-FPOVZHCZSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309045 520152651 /nfs/dbraw/zinc/15/26/51/520152651.db2.gz AWHYYLSIYFRKSG-OFNKIYASSA-N 1 1 476.639 2.989 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309447 520153057 /nfs/dbraw/zinc/15/30/57/520153057.db2.gz JHKWTXWPOFLJGY-OFNKIYASSA-N 1 1 476.639 2.907 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 ZINC000036309447 520153064 /nfs/dbraw/zinc/15/30/64/520153064.db2.gz JHKWTXWPOFLJGY-OFNKIYASSA-N 1 1 476.639 2.907 50 0 JFAAMO CCOC(=O)C1CC[NH+](Cc2ccc(C(=O)NCC3C4CC5CC(C4)CC3C5)c(=O)[nH]2)CC1 ZINC000014993289 520577078 /nfs/dbraw/zinc/57/70/78/520577078.db2.gz NWJMGVPGHWMDTJ-UHFFFAOYSA-N 1 1 455.599 2.952 50 0 JFAAMO CCOc1ccc(C[N@@H+]2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000014977585 520977733 /nfs/dbraw/zinc/97/77/33/520977733.db2.gz NOHXBTLJGKQFDN-UGKGYDQZSA-N 1 1 455.559 2.682 50 0 JFAAMO CCOc1ccc(C[N@H+]2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCCCCC2)cc1 ZINC000014977585 520977739 /nfs/dbraw/zinc/97/77/39/520977739.db2.gz NOHXBTLJGKQFDN-UGKGYDQZSA-N 1 1 455.559 2.682 50 0 JFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)c2nn(-c3ccc(Cl)cc3)c(-n3cccc3)c2c1=O ZINC000021647758 521636231 /nfs/dbraw/zinc/63/62/31/521636231.db2.gz QALKQNJTILQUNH-HXUWFJFHSA-N 1 1 493.999 2.935 50 0 JFAAMO CC[N@@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN2CCOCC2)C1 ZINC000020518745 521724759 /nfs/dbraw/zinc/72/47/59/521724759.db2.gz ABTSSOSBBBEAQQ-UHFFFAOYSA-N 1 1 475.014 2.578 50 0 JFAAMO CC[N@H+]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c(=O)n3CCN2CCOCC2)C1 ZINC000020518745 521724760 /nfs/dbraw/zinc/72/47/60/521724760.db2.gz ABTSSOSBBBEAQQ-UHFFFAOYSA-N 1 1 475.014 2.578 50 0 JFAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000004177321 521724765 /nfs/dbraw/zinc/72/47/65/521724765.db2.gz UYSBDJIYVPSKKU-SOFGYWHQSA-N 1 1 474.608 2.769 50 0 JFAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)c2C(N)=O)C1 ZINC000004177321 521724766 /nfs/dbraw/zinc/72/47/66/521724766.db2.gz UYSBDJIYVPSKKU-SOFGYWHQSA-N 1 1 474.608 2.769 50 0 JFAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@H+](C/C=C/c1ccc(O)c(OC)c1)CC2 ZINC000012457119 521780750 /nfs/dbraw/zinc/78/07/50/521780750.db2.gz OTTWTKFYVSAYIU-RRFGBZISSA-N 1 1 498.576 2.869 50 0 JFAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](C/C=C/c1ccc(O)c(OC)c1)CC2 ZINC000012457119 521780757 /nfs/dbraw/zinc/78/07/57/521780757.db2.gz OTTWTKFYVSAYIU-RRFGBZISSA-N 1 1 498.576 2.869 50 0 JFAAMO COCCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697912 522065294 /nfs/dbraw/zinc/06/52/94/522065294.db2.gz XTYBJUTUOWUJOC-DEOSSOPVSA-N 1 1 452.530 2.954 50 0 JFAAMO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[N@H+](C3CCCCC3)C2)nn1 ZINC000014993236 522328802 /nfs/dbraw/zinc/32/88/02/522328802.db2.gz OZWJMMVTZMUKBW-XXBNENTESA-N 1 1 464.570 2.853 50 0 JFAAMO CCn1c2c(C(=O)NCCC(C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967806 523251704 /nfs/dbraw/zinc/25/17/04/523251704.db2.gz VAQNKPMYTRBGQA-UHFFFAOYSA-N 1 1 451.571 2.859 50 0 JFAAMO CCn1c2c(C(=O)NCCC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967806 523251713 /nfs/dbraw/zinc/25/17/13/523251713.db2.gz VAQNKPMYTRBGQA-UHFFFAOYSA-N 1 1 451.571 2.859 50 0 JFAAMO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000014745260 523290692 /nfs/dbraw/zinc/29/06/92/523290692.db2.gz FESNWKQZIPVVBU-UHFFFAOYSA-N 1 1 476.581 2.804 50 0 JFAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCOCC2)[C@@H]1c1cccs1 ZINC000020508027 523809032 /nfs/dbraw/zinc/80/90/32/523809032.db2.gz MCPXYPHOACEWRI-YADHBBJMSA-N 1 1 457.596 2.514 50 0 JFAAMO COc1ccc(C[N@@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5cccc(OC)c5)c4n3C)C2)cc1 ZINC000064967733 524039082 /nfs/dbraw/zinc/03/90/82/524039082.db2.gz LTBCRTLDJUTFSP-UHFFFAOYSA-N 1 1 487.560 2.539 50 0 JFAAMO COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)NCc5cccc(OC)c5)c4n3C)C2)cc1 ZINC000064967733 524039084 /nfs/dbraw/zinc/03/90/84/524039084.db2.gz LTBCRTLDJUTFSP-UHFFFAOYSA-N 1 1 487.560 2.539 50 0 JFAAMO COc1ccc(Cc2nnc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)o2)cc1OC ZINC000020488611 524165531 /nfs/dbraw/zinc/16/55/31/524165531.db2.gz VLEQFAXITZPYMG-UHFFFAOYSA-N 1 1 479.581 2.615 50 0 JFAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCn3c(=O)c4cccn4c4cccnc43)CC2)c1C ZINC000020512781 524555779 /nfs/dbraw/zinc/55/57/79/524555779.db2.gz IDXHGILVZPLNNA-UHFFFAOYSA-N 1 1 472.593 2.595 50 0 JFAAMO COc1ccc(NC(=O)c2nnc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)s2)cc1 ZINC000033060171 524656973 /nfs/dbraw/zinc/65/69/73/524656973.db2.gz RIOFYGSYVOGIOQ-UHFFFAOYSA-N 1 1 498.584 2.880 50 0 JFAAMO COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)NCCC[NH+]4CCOCC4)c3C3CC3)n2)c1 ZINC000014960629 524792938 /nfs/dbraw/zinc/79/29/38/524792938.db2.gz XFQGUSWEKKASPR-UHFFFAOYSA-N 1 1 492.580 2.676 50 0 JFAAMO COc1ccc(OCC[NH+]2CCN(Cc3cc(=O)n4cc(Br)ccc4n3)CC2)cc1 ZINC000022790167 524957842 /nfs/dbraw/zinc/95/78/42/524957842.db2.gz DKEHGWDBGMSOAW-UHFFFAOYSA-N 1 1 473.371 2.662 50 0 JFAAMO Cc1ccc(C(=O)N(C)CCc2noc(-c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)n2)cc1 ZINC000033273538 526058993 /nfs/dbraw/zinc/05/89/93/526058993.db2.gz QKUKLEAXHAHKIO-UHFFFAOYSA-N 1 1 491.592 2.812 50 0 JFAAMO O=C(CCC(=O)N1CCOc2ccccc21)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020466310 526382326 /nfs/dbraw/zinc/38/23/26/526382326.db2.gz MHOVRLWCCRIJLN-UHFFFAOYSA-N 1 1 450.583 2.516 50 0 JFAAMO O=C(CN1c2ccccc2SCCC1=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020379569 526828953 /nfs/dbraw/zinc/82/89/53/526828953.db2.gz WFMXRNZNYKWRAG-UHFFFAOYSA-N 1 1 452.624 2.840 50 0 JFAAMO O=C(c1nn(Cc2ccccn2)c2c1C[N@H+](Cc1cc3c(cc1Cl)OCO3)CC2)N1CCOCC1 ZINC000014741060 526928740 /nfs/dbraw/zinc/92/87/40/526928740.db2.gz WAFMTMLZHGGSNW-UHFFFAOYSA-N 1 1 495.967 2.739 50 0 JFAAMO O=C(c1nn(Cc2ccccn2)c2c1C[N@@H+](Cc1cc3c(cc1Cl)OCO3)CC2)N1CCOCC1 ZINC000014741060 526928744 /nfs/dbraw/zinc/92/87/44/526928744.db2.gz WAFMTMLZHGGSNW-UHFFFAOYSA-N 1 1 495.967 2.739 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1ccccc1F ZINC000022909230 527053582 /nfs/dbraw/zinc/05/35/82/527053582.db2.gz UEWLNDKNZVLYIU-UHFFFAOYSA-N 1 1 460.575 2.714 50 0 JFAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000035456568 527350079 /nfs/dbraw/zinc/35/00/79/527350079.db2.gz GFIHIQRQMSOADV-QFIPXVFZSA-N 1 1 476.552 2.903 50 0 JFAAMO O=C(Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000035456568 527350084 /nfs/dbraw/zinc/35/00/84/527350084.db2.gz GFIHIQRQMSOADV-QFIPXVFZSA-N 1 1 476.552 2.903 50 0 JFAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1CCN(c2ccc(N3CCCC3)nn2)CC1 ZINC000033256138 527667887 /nfs/dbraw/zinc/66/78/87/527667887.db2.gz DVZPUYITWZHWBP-UHFFFAOYSA-N 1 1 495.647 2.761 50 0 JFAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccncc2)C1 ZINC000014754464 527671035 /nfs/dbraw/zinc/67/10/35/527671035.db2.gz JFDKRWMDSBFYFX-RPLLCQBOSA-N 1 1 492.664 2.926 50 0 JFAAMO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000002247931 554112680 /nfs/dbraw/zinc/11/26/80/554112680.db2.gz OVAASBPSJWVMBW-CQSZACIVSA-N 1 1 461.515 2.528 50 0 JFAAMO CCOC(=O)N[C@@](Nc1sc2c(c1C(=O)OCC)CC[N@@H+](C)C2)(C(=O)OCC)C(F)(F)F ZINC000008854916 554750561 /nfs/dbraw/zinc/75/05/61/554750561.db2.gz UAYSHZWIZGGPHQ-SFHVURJKSA-N 1 1 481.493 2.892 50 0 JFAAMO CCOC(=O)N[C@@](Nc1sc2c(c1C(=O)OCC)CC[N@H+](C)C2)(C(=O)OCC)C(F)(F)F ZINC000008854916 554750563 /nfs/dbraw/zinc/75/05/63/554750563.db2.gz UAYSHZWIZGGPHQ-SFHVURJKSA-N 1 1 481.493 2.892 50 0 JFAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000008931729 554826005 /nfs/dbraw/zinc/82/60/05/554826005.db2.gz KTPBEEZWFQSFOR-KDURUIRLSA-N 1 1 467.614 2.936 50 0 JFAAMO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009052603 554872904 /nfs/dbraw/zinc/87/29/04/554872904.db2.gz MNAVCERZWWNLPS-HXUWFJFHSA-N 1 1 475.611 2.662 50 0 JFAAMO Cc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000009052603 554872906 /nfs/dbraw/zinc/87/29/06/554872906.db2.gz MNAVCERZWWNLPS-HXUWFJFHSA-N 1 1 475.611 2.662 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](CC)C3)cc1 ZINC000009391460 555154839 /nfs/dbraw/zinc/15/48/39/555154839.db2.gz WAPFNFKMXSJZOM-UHFFFAOYSA-N 1 1 464.613 2.508 50 0 JFAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](CC)C3)cc1 ZINC000009391460 555154841 /nfs/dbraw/zinc/15/48/41/555154841.db2.gz WAPFNFKMXSJZOM-UHFFFAOYSA-N 1 1 464.613 2.508 50 0 JFAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000009432106 555200996 /nfs/dbraw/zinc/20/09/96/555200996.db2.gz UDRHRFVJXOUUQK-OAQYLSRUSA-N 1 1 459.568 2.715 50 0 JFAAMO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCCC[N@@H+](C)Cc1ccccc1)c2=O ZINC000009589620 555403004 /nfs/dbraw/zinc/40/30/04/555403004.db2.gz AGZRBELRIRLSQH-UHFFFAOYSA-N 1 1 494.592 2.675 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000013495527 555408181 /nfs/dbraw/zinc/40/81/81/555408181.db2.gz MXFHQULHQZBTRN-VWLOTQADSA-N 1 1 453.608 2.955 50 0 JFAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000009742139 555473718 /nfs/dbraw/zinc/47/37/18/555473718.db2.gz UWKGJHZUMRAYDU-LJQANCHMSA-N 1 1 467.975 2.521 50 0 JFAAMO C[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000019859252 555519501 /nfs/dbraw/zinc/51/95/01/555519501.db2.gz URDIQLPWZLLAFC-UHFFFAOYSA-N 1 1 456.395 2.958 50 0 JFAAMO CCOC(=O)c1nnn(Cc2ccc(C)cc2)c1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019897448 555533001 /nfs/dbraw/zinc/53/30/01/555533001.db2.gz FXRSNBNUDQBISJ-UHFFFAOYSA-N 1 1 476.581 2.568 50 0 JFAAMO CCn1cc(C(=O)NCCCCCC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013625061 555539007 /nfs/dbraw/zinc/53/90/07/555539007.db2.gz QBOYPXAVCAUWNP-SFHVURJKSA-N 1 1 484.597 2.641 50 0 JFAAMO CC1=[NH+]N(CCNc2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108794 555618823 /nfs/dbraw/zinc/61/88/23/555618823.db2.gz ZXBLQVZASRKHFJ-UHFFFAOYSA-N 1 1 459.510 2.534 50 0 JFAAMO C[NH+]1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000020058136 555621955 /nfs/dbraw/zinc/62/19/55/555621955.db2.gz RKJAGHNCXDRAPS-UHFFFAOYSA-N 1 1 458.422 2.547 50 0 JFAAMO Clc1ccc([C@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000020101296 555634092 /nfs/dbraw/zinc/63/40/92/555634092.db2.gz BZEOZTIPLZXOOL-QFIPXVFZSA-N 1 1 465.989 2.955 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(=O)n(-c3ccc(F)c(Cl)c3)c(=S)[nH]c2c1 ZINC000020102705 555635034 /nfs/dbraw/zinc/63/50/34/555635034.db2.gz WNBKCWGDZZOCNE-UHFFFAOYSA-N 1 1 476.961 2.919 50 0 JFAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC1(Cc3ccccc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000020112579 555649990 /nfs/dbraw/zinc/64/99/90/555649990.db2.gz MMFXTLVJHACNTM-KRWDZBQOSA-N 1 1 465.550 2.902 50 0 biogenic JFAAMO COc1cc(Cl)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC ZINC000020119083 555655240 /nfs/dbraw/zinc/65/52/40/555655240.db2.gz LHSYCCDJUCJTLD-UHFFFAOYSA-N 1 1 459.934 2.573 50 0 JFAAMO COc1cc(Cl)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC ZINC000020119083 555655242 /nfs/dbraw/zinc/65/52/42/555655242.db2.gz LHSYCCDJUCJTLD-UHFFFAOYSA-N 1 1 459.934 2.573 50 0 JFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000014067490 555676253 /nfs/dbraw/zinc/67/62/53/555676253.db2.gz IWRGVFRNMDMEOH-KRWDZBQOSA-N 1 1 455.552 2.696 50 0 JFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014070135 555678636 /nfs/dbraw/zinc/67/86/36/555678636.db2.gz PWXVIBNITWPPDZ-OAQYLSRUSA-N 1 1 465.550 2.668 50 0 JFAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014070135 555678640 /nfs/dbraw/zinc/67/86/40/555678640.db2.gz PWXVIBNITWPPDZ-OAQYLSRUSA-N 1 1 465.550 2.668 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000020211009 555703525 /nfs/dbraw/zinc/70/35/25/555703525.db2.gz NUMZZHLEPOCSOF-UHFFFAOYSA-N 1 1 465.525 2.993 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000020211009 555703528 /nfs/dbraw/zinc/70/35/28/555703528.db2.gz NUMZZHLEPOCSOF-UHFFFAOYSA-N 1 1 465.525 2.993 50 0 JFAAMO COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[NH+](C)C ZINC000014227534 555735319 /nfs/dbraw/zinc/73/53/19/555735319.db2.gz HRVYOQVNGOOBOS-OAQYLSRUSA-N 1 1 463.575 2.654 50 0 JFAAMO Cc1c(C(=O)O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000014253748 555755609 /nfs/dbraw/zinc/75/56/09/555755609.db2.gz RNBOWJSDWBLURX-KRWDZBQOSA-N 1 1 480.590 2.602 50 0 JFAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCc2nnc3ccc(N4CCOCC4)nn32)o1 ZINC000020530558 555797779 /nfs/dbraw/zinc/79/77/79/555797779.db2.gz TZFJEJJUXRADLY-IBGZPJMESA-N 1 1 481.601 2.567 50 0 JFAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)N2Cc3ccccc3C2=O)CC1 ZINC000020561710 555813106 /nfs/dbraw/zinc/81/31/06/555813106.db2.gz BTRXUQFMIVALBT-OAQYLSRUSA-N 1 1 467.566 2.964 50 0 JFAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(Br)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000020568054 555821430 /nfs/dbraw/zinc/82/14/30/555821430.db2.gz VDWIJWHZEKYUHR-UHFFFAOYSA-N 1 1 464.385 2.789 50 0 JFAAMO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534046 555822604 /nfs/dbraw/zinc/82/26/04/555822604.db2.gz NMTOTXZRTSLGCU-RCZVLFRGSA-N 1 1 461.610 2.692 50 0 JFAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534046 555822609 /nfs/dbraw/zinc/82/26/09/555822609.db2.gz NMTOTXZRTSLGCU-RCZVLFRGSA-N 1 1 461.610 2.692 50 0 JFAAMO O=C(NCCc1cnc[nH]1)[C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534046 555822612 /nfs/dbraw/zinc/82/26/12/555822612.db2.gz NMTOTXZRTSLGCU-RCZVLFRGSA-N 1 1 461.610 2.692 50 0 JFAAMO C[C@@H]1C[C@@H](C(=O)N2CCC([C@@H](Cc3ccccc3)[N@@H+](C)Cc3cccnc3)CC2)NC(=S)N1 ZINC000011788678 555823357 /nfs/dbraw/zinc/82/33/57/555823357.db2.gz FNDWMHVEAICFHU-VEXUSMLFSA-N 1 1 465.667 2.988 50 0 JFAAMO O=C1CC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CCN1CCS(=O)(=O)c1ccccc1 ZINC000011791118 555827560 /nfs/dbraw/zinc/82/75/60/555827560.db2.gz WAXKPPYXPBQALT-QFIPXVFZSA-N 1 1 459.587 2.803 50 0 JFAAMO Cc1cc(C)n(CC(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000015064732 555866756 /nfs/dbraw/zinc/86/67/56/555866756.db2.gz JZKYMHATKABVHP-DEOSSOPVSA-N 1 1 451.615 2.863 50 0 JFAAMO Cc1cc(C)n(CC(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000015064733 555866793 /nfs/dbraw/zinc/86/67/93/555866793.db2.gz JZKYMHATKABVHP-XMMPIXPASA-N 1 1 451.615 2.863 50 0 JFAAMO CC(C)C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000015070548 555870123 /nfs/dbraw/zinc/87/01/23/555870123.db2.gz UMYDJGDALXVCBL-FQEVSTJZSA-N 1 1 462.554 2.977 50 0 JFAAMO Cc1cc(C)n(CCN2C(=O)c3cccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)c3C2=O)n1 ZINC000015071236 555870543 /nfs/dbraw/zinc/87/05/43/555870543.db2.gz HLEIWEJGRQJUGF-UHFFFAOYSA-N 1 1 487.560 2.847 50 0 JFAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011966253 555871975 /nfs/dbraw/zinc/87/19/75/555871975.db2.gz MYHHAUOVBWMNHP-LJQANCHMSA-N 1 1 461.566 2.918 50 0 JFAAMO CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011996321 555878198 /nfs/dbraw/zinc/87/81/98/555878198.db2.gz CQKLRDWQBZAUOQ-HSZRJFAPSA-N 1 1 462.554 2.630 50 0 JFAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2 ZINC000011997958 555880417 /nfs/dbraw/zinc/88/04/17/555880417.db2.gz CHZPYSIMRVMSPY-GOSISDBHSA-N 1 1 477.565 2.884 50 0 JFAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc2c1OCO2 ZINC000011997958 555880419 /nfs/dbraw/zinc/88/04/19/555880419.db2.gz CHZPYSIMRVMSPY-GOSISDBHSA-N 1 1 477.565 2.884 50 0 JFAAMO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCCC1 ZINC000011998457 555881094 /nfs/dbraw/zinc/88/10/94/555881094.db2.gz WQOZBKZBDGLBBP-IBGZPJMESA-N 1 1 495.623 2.550 50 0 JFAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000012036417 555889471 /nfs/dbraw/zinc/88/94/71/555889471.db2.gz FUHPRZWZCPFJQN-DEOSSOPVSA-N 1 1 494.596 2.884 50 0 JFAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c(OC)c1 ZINC000012036417 555889476 /nfs/dbraw/zinc/88/94/76/555889476.db2.gz FUHPRZWZCPFJQN-DEOSSOPVSA-N 1 1 494.596 2.884 50 0 JFAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccccc2)CC1 ZINC000022403966 555928913 /nfs/dbraw/zinc/92/89/13/555928913.db2.gz QOFCLRNCLFDCPE-UHFFFAOYSA-N 1 1 456.612 2.794 50 0 JFAAMO CCc1[nH+]ccn1CCC(=O)N1CCOc2ccc(CN3CCCC[C@@H]3C(=O)OC)cc2C1 ZINC000012158700 555929678 /nfs/dbraw/zinc/92/96/78/555929678.db2.gz UHKLCUVKYQGYIW-OAQYLSRUSA-N 1 1 454.571 2.784 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1ccc(Cl)cc1 ZINC000022908979 555965930 /nfs/dbraw/zinc/96/59/30/555965930.db2.gz AZTXYOZJBCHQIU-UHFFFAOYSA-N 1 1 463.003 2.839 50 0 JFAAMO Cc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1C ZINC000022909043 555966497 /nfs/dbraw/zinc/96/64/97/555966497.db2.gz LCHDHNAAOCVFHE-UHFFFAOYSA-N 1 1 456.612 2.802 50 0 JFAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCCC2)Nc1ccc(F)cc1F ZINC000022909257 555967157 /nfs/dbraw/zinc/96/71/57/555967157.db2.gz BUWFQBXQTUBQLF-UHFFFAOYSA-N 1 1 478.565 2.853 50 0 JFAAMO O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(c2ncccn2)CC1 ZINC000022912372 555968022 /nfs/dbraw/zinc/96/80/22/555968022.db2.gz GURWYTJEDVYLLI-UHFFFAOYSA-N 1 1 470.621 2.923 50 0 JFAAMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000022928590 555979883 /nfs/dbraw/zinc/97/98/83/555979883.db2.gz DPHMWBOKVQCPCV-FQEVSTJZSA-N 1 1 457.596 2.849 50 0 JFAAMO C[NH+]1CCN(C(=O)C2CCN(c3ccc(-c4ccc(Br)s4)nn3)CC2)CC1 ZINC000015734959 555980705 /nfs/dbraw/zinc/98/07/05/555980705.db2.gz MKHJLOJZAOXDKO-UHFFFAOYSA-N 1 1 450.406 2.958 50 0 JFAAMO Cc1cc(C)cc(-n2ccn3c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)nnc3c2=O)c1 ZINC000015736367 555983380 /nfs/dbraw/zinc/98/33/80/555983380.db2.gz ALFBJBQZHKMLKU-UHFFFAOYSA-N 1 1 470.577 2.774 50 0 JFAAMO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000015784493 556003423 /nfs/dbraw/zinc/00/34/23/556003423.db2.gz JTTJVXZFHZWTEH-JOCHJYFZSA-N 1 1 468.623 2.827 50 0 JFAAMO C[C@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012537219 556010250 /nfs/dbraw/zinc/01/02/50/556010250.db2.gz KGXWYDYHYQPYRF-FQEVSTJZSA-N 1 1 456.612 2.616 50 0 JFAAMO O=C(CN(C(=O)c1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000015864145 556038878 /nfs/dbraw/zinc/03/88/78/556038878.db2.gz VMZRVALAMURXJF-UHFFFAOYSA-N 1 1 456.537 2.503 50 0 JFAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012555285 556040486 /nfs/dbraw/zinc/04/04/86/556040486.db2.gz DJJIGLYZINABGX-UHFFFAOYSA-N 1 1 471.623 2.909 50 0 JFAAMO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000015868621 556045675 /nfs/dbraw/zinc/04/56/75/556045675.db2.gz OELPUZWMQTVDRW-SFHVURJKSA-N 1 1 456.587 2.503 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000023337711 556047175 /nfs/dbraw/zinc/04/71/75/556047175.db2.gz CEUABSFZUSIDSZ-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO COc1ccccc1CNC(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccsc1)CC2 ZINC000023337711 556047180 /nfs/dbraw/zinc/04/71/80/556047180.db2.gz CEUABSFZUSIDSZ-UHFFFAOYSA-N 1 1 453.564 2.915 50 0 JFAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)C[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023352303 556048237 /nfs/dbraw/zinc/04/82/37/556048237.db2.gz FUHGNFJKHXHDCP-MVNQZMKCSA-N 1 1 464.654 2.821 50 0 JFAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000023352303 556048240 /nfs/dbraw/zinc/04/82/40/556048240.db2.gz FUHGNFJKHXHDCP-MVNQZMKCSA-N 1 1 464.654 2.821 50 0 JFAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000015919198 556066371 /nfs/dbraw/zinc/06/63/71/556066371.db2.gz VPXGVCBREGCBIS-UHFFFAOYSA-N 1 1 482.002 2.635 50 0 JFAAMO Cc1cc(O)c([C@@H](c2ccc(F)cc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023477075 556074735 /nfs/dbraw/zinc/07/47/35/556074735.db2.gz WNFBUBRXMJOPSH-RUZDIDTESA-N 1 1 451.542 2.749 50 0 JFAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000012582211 556079696 /nfs/dbraw/zinc/07/96/96/556079696.db2.gz WDQUTUMDMIICPJ-UHFFFAOYSA-N 1 1 488.617 2.963 50 0 JFAAMO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023806057 556088927 /nfs/dbraw/zinc/08/89/27/556088927.db2.gz SHQQNLUEUIYFFI-UHFFFAOYSA-N 1 1 471.627 2.916 50 0 JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015957669 556089536 /nfs/dbraw/zinc/08/95/36/556089536.db2.gz FEFACXBMORQQRK-PTNLABRWSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015957668 556089561 /nfs/dbraw/zinc/08/95/61/556089561.db2.gz FEFACXBMORQQRK-KKSJDHSTSA-N 1 1 494.979 2.791 50 0 biogenic JFAAMO Cc1ccc([C@]2(C)NC(=O)N(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1 ZINC000023844981 556091169 /nfs/dbraw/zinc/09/11/69/556091169.db2.gz SABYRSUZZHQJDF-VWLOTQADSA-N 1 1 464.522 2.799 50 0 JFAAMO O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000023881733 556098102 /nfs/dbraw/zinc/09/81/02/556098102.db2.gz MLIVRSAJBJLEAA-DEOSSOPVSA-N 1 1 497.661 2.732 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996249 556102927 /nfs/dbraw/zinc/10/29/27/556102927.db2.gz INSOEGISNFOBEP-CDNOPDGFSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015996249 556102930 /nfs/dbraw/zinc/10/29/30/556102930.db2.gz INSOEGISNFOBEP-CDNOPDGFSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C(C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024609844 556140376 /nfs/dbraw/zinc/14/03/76/556140376.db2.gz MILRTXJEHRNFLE-UHFFFAOYSA-N 1 1 459.587 2.712 50 0 JFAAMO CCC[NH+]1CCN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)c(OC)c2)CC1 ZINC000012981965 556175210 /nfs/dbraw/zinc/17/52/10/556175210.db2.gz QUANCHADOYOPPX-UHFFFAOYSA-N 1 1 451.523 2.668 50 0 JFAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3C3CC3)CC2)cc1 ZINC000025052880 556175258 /nfs/dbraw/zinc/17/52/58/556175258.db2.gz QRLCRFXIHIEHNI-XMMPIXPASA-N 1 1 487.647 2.793 50 0 JFAAMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3C3CC3)CC2)cc1 ZINC000025052880 556175260 /nfs/dbraw/zinc/17/52/60/556175260.db2.gz QRLCRFXIHIEHNI-XMMPIXPASA-N 1 1 487.647 2.793 50 0 JFAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC5(CC3)NC(=O)NC5=O)n2)CCC4)CC1 ZINC000013016532 556208622 /nfs/dbraw/zinc/20/86/22/556208622.db2.gz CEQVMYZCNBTTME-UHFFFAOYSA-N 1 1 454.600 2.590 50 0 JFAAMO CC(C)(CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)[N@H+]1CCc2ccccc2C1 ZINC000025463437 556217315 /nfs/dbraw/zinc/21/73/15/556217315.db2.gz GKBCULAFVTYECX-JOCHJYFZSA-N 1 1 471.623 2.711 50 0 JFAAMO Cc1cc(CN2CC[NH+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)on1 ZINC000028892427 556343719 /nfs/dbraw/zinc/34/37/19/556343719.db2.gz SUJQOOBPIGXNGU-UHFFFAOYSA-N 1 1 496.033 2.567 50 0 JFAAMO O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029933715 556360463 /nfs/dbraw/zinc/36/04/63/556360463.db2.gz QRGQUDXHTIZZII-FMIVXFBMSA-N 1 1 495.601 2.920 50 0 JFAAMO CN1C(=O)N(C)C(=O)C(Cc2cccc3ccccc32)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000019703134 556360670 /nfs/dbraw/zinc/36/06/70/556360670.db2.gz PANYQTXFSOHBDO-KNQAVFIVSA-N 1 1 498.583 2.700 50 0 biogenic JFAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000032333817 556434602 /nfs/dbraw/zinc/43/46/02/556434602.db2.gz CUINQMWYXGXVJT-UHFFFAOYSA-N 1 1 470.375 2.571 50 0 JFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032675958 556469561 /nfs/dbraw/zinc/46/95/61/556469561.db2.gz YCDQRDAWWMQXFT-UHFFFAOYSA-N 1 1 467.591 2.770 50 0 JFAAMO CC[C@H](c1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)o1)[NH+](C)C ZINC000032691553 556471240 /nfs/dbraw/zinc/47/12/40/556471240.db2.gz XTWLAXOFYBNWIG-QGZVFWFLSA-N 1 1 467.617 2.988 50 0 JFAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000032870820 556517781 /nfs/dbraw/zinc/51/77/81/556517781.db2.gz FSQZLGFJSPBTHD-DEOSSOPVSA-N 1 1 489.576 2.802 50 0 JFAAMO CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000032931446 556546387 /nfs/dbraw/zinc/54/63/87/556546387.db2.gz IBLNARIJEJOYDV-YJBOKZPZSA-N 1 1 460.438 2.743 50 0 JFAAMO COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000008687950 562953599 /nfs/dbraw/zinc/95/35/99/562953599.db2.gz DFPLZEHHTJBTPH-UHFFFAOYSA-N 1 1 486.638 2.803 50 0 JFAAMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008694100 562954598 /nfs/dbraw/zinc/95/45/98/562954598.db2.gz WQGBIXWVRXFTFM-UHFFFAOYSA-N 1 1 487.622 2.609 50 0 JFAAMO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)cc1 ZINC000033023962 563110388 /nfs/dbraw/zinc/11/03/88/563110388.db2.gz XSFYHYXWVRGDRR-UHFFFAOYSA-N 1 1 461.584 2.647 50 0 JFAAMO CCOC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414520 569599881 /nfs/dbraw/zinc/59/98/81/569599881.db2.gz XXRMFDNFIQNRJU-XMMPIXPASA-N 1 1 486.613 2.825 50 0 JFAAMO COc1cc(NC(=O)c2cccs2)c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000032987928 569609722 /nfs/dbraw/zinc/60/97/22/569609722.db2.gz OOUSKWPHBBZVEM-MRXNPFEDSA-N 1 1 459.568 2.954 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580421 569611767 /nfs/dbraw/zinc/61/17/67/569611767.db2.gz AKPZRJVBLJKEAG-RTBURBONSA-N 1 1 466.604 2.527 50 0 JFAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000062580421 569611768 /nfs/dbraw/zinc/61/17/68/569611768.db2.gz AKPZRJVBLJKEAG-RTBURBONSA-N 1 1 466.604 2.527 50 0 JFAAMO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063671305 569615890 /nfs/dbraw/zinc/61/58/90/569615890.db2.gz SBANQNBPRNYTSS-FQEVSTJZSA-N 1 1 485.075 2.643 50 0 JFAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008859 569615955 /nfs/dbraw/zinc/61/59/55/569615955.db2.gz KQQUCAAWDMLOAM-UHFFFAOYSA-N 1 1 465.554 2.990 50 0 JFAAMO COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCC2)N(CCC[NH+]2CCOCC2)C1=O ZINC000033332127 569624729 /nfs/dbraw/zinc/62/47/29/569624729.db2.gz DWFPEFXQKFOUMZ-MHZLTWQESA-N 1 1 498.624 2.654 50 0 JFAAMO COc1ccccc1C(=O)N1CCc2nc(N3CCC(C)CC3)nc(N3CC[NH+](C)CC3)c2C1 ZINC000034676685 569641576 /nfs/dbraw/zinc/64/15/76/569641576.db2.gz HNAANPYDVGTFEF-UHFFFAOYSA-N 1 1 464.614 2.672 50 0 JFAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000065061510 569655453 /nfs/dbraw/zinc/65/54/53/569655453.db2.gz WBIJZNIMSKFOCD-GOSISDBHSA-N 1 1 476.643 2.967 50 0 JFAAMO Cc1cc(C(=O)N(CCC(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)C[C@@H]2CCCO2)no1 ZINC000034922567 569672871 /nfs/dbraw/zinc/67/28/71/569672871.db2.gz UPJASEJYLVHIAU-QFIPXVFZSA-N 1 1 454.571 2.647 50 0 JFAAMO Cc1nc(-n2ccnc2)cc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000065363212 569675278 /nfs/dbraw/zinc/67/52/78/569675278.db2.gz ROKMYTOIXFBSPD-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO CCOc1ccc2sc(NC(=O)Cn3cnc4nc(N5CC[NH+](CC)CC5)sc4c3=O)nc2c1 ZINC000067239586 569681635 /nfs/dbraw/zinc/68/16/35/569681635.db2.gz AQJGXGAERUYOMN-UHFFFAOYSA-N 1 1 499.622 2.642 50 0 JFAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000035361682 569682327 /nfs/dbraw/zinc/68/23/27/569682327.db2.gz WYKFQCZJRGGJAJ-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000035361682 569682328 /nfs/dbraw/zinc/68/23/28/569682328.db2.gz WYKFQCZJRGGJAJ-HSZRJFAPSA-N 1 1 484.572 2.763 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1ccc(F)cc1 ZINC000035362407 569682395 /nfs/dbraw/zinc/68/23/95/569682395.db2.gz JKLCFPYEIGDAGN-HSZRJFAPSA-N 1 1 496.583 2.907 50 0 JFAAMO O=C(CN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1)Nc1ccc(F)cc1 ZINC000035362407 569682396 /nfs/dbraw/zinc/68/23/96/569682396.db2.gz JKLCFPYEIGDAGN-HSZRJFAPSA-N 1 1 496.583 2.907 50 0 JFAAMO CCOc1cc([C@H]2NC(=O)N=C(CN3CCC([NH+]4CCCCC4)CC3)C2C(=O)OC)ccc1O ZINC000067285623 569683294 /nfs/dbraw/zinc/68/32/94/569683294.db2.gz AMLWQABIBUYFQP-HSZRJFAPSA-N 1 1 472.586 2.522 50 0 JFAAMO CCOC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285894 569683409 /nfs/dbraw/zinc/68/34/09/569683409.db2.gz LGKVVQYQNBSDBC-XMMPIXPASA-N 1 1 486.613 2.825 50 0 JFAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)ncn1 ZINC000067602219 569688750 /nfs/dbraw/zinc/68/87/50/569688750.db2.gz WSJLVBPVFLHFFA-UHFFFAOYSA-N 1 1 452.462 2.500 50 0 JFAAMO O=C(CCN(C(=O)c1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000035421917 569692326 /nfs/dbraw/zinc/69/23/26/569692326.db2.gz NIBHLFYJRZQCFU-UHFFFAOYSA-N 1 1 452.574 2.754 50 0 JFAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035422045 569692490 /nfs/dbraw/zinc/69/24/90/569692490.db2.gz WTLHNXUMMDHEFL-SFHVURJKSA-N 1 1 454.537 2.844 50 0 JFAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000035422045 569692491 /nfs/dbraw/zinc/69/24/91/569692491.db2.gz WTLHNXUMMDHEFL-SFHVURJKSA-N 1 1 454.537 2.844 50 0 JFAAMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)c1 ZINC000069977724 569694538 /nfs/dbraw/zinc/69/45/38/569694538.db2.gz KBTCOUPOLBSNTP-HXUWFJFHSA-N 1 1 455.580 2.549 50 0 JFAAMO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CC(N)=O)[NH2+][C@@]12c1cc(Cl)cc(C)c1NC2=O ZINC000035828191 569712704 /nfs/dbraw/zinc/71/27/04/569712704.db2.gz BRWUYCPEJAIJGQ-OXDBHQQFSA-N 1 1 477.348 2.950 50 0 JFAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000095396979 569723201 /nfs/dbraw/zinc/72/32/01/569723201.db2.gz QLZOMMMZOUPRJG-DEOSSOPVSA-N 1 1 499.611 2.982 50 0 JFAAMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000095544236 569726697 /nfs/dbraw/zinc/72/66/97/569726697.db2.gz BCSQWBDVLIHPCQ-JOCHJYFZSA-N 1 1 473.573 2.802 50 0 JFAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C5CCCCC5)CC4)n3)CC2)cc1 ZINC000035926746 569729929 /nfs/dbraw/zinc/72/99/29/569729929.db2.gz HGOSPBHIUWKXHT-UHFFFAOYSA-N 1 1 478.641 2.629 50 0 JFAAMO C[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793195 569743025 /nfs/dbraw/zinc/74/30/25/569743025.db2.gz PJCHIHFCTMDRSC-HYBUGGRVSA-N 1 1 477.634 2.823 50 0 JFAAMO C[C@H](NC(=O)C(=O)NCc1ccccn1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096793190 569743041 /nfs/dbraw/zinc/74/30/41/569743041.db2.gz VYKJQJBCHVUMKA-GBXCKJPGSA-N 1 1 477.634 2.823 50 0 JFAAMO CC[C@]1(C)NC(=O)N(NC(=O)CN2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)s3)CC2)C1=O ZINC000097003105 569743989 /nfs/dbraw/zinc/74/39/89/569743989.db2.gz MKVZTTQHJKHDAE-QHCPKHFHSA-N 1 1 490.029 2.938 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3cccc(OC)c3)on2)CC1 ZINC000036002395 569746175 /nfs/dbraw/zinc/74/61/75/569746175.db2.gz OAHOBGISQDCPCI-QHCPKHFHSA-N 1 1 462.550 2.855 50 0 JFAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(-c3cc(OC)ccc3OC)on2)CC1 ZINC000036014774 569748930 /nfs/dbraw/zinc/74/89/30/569748930.db2.gz YAZHHGJQRCLOCM-HXUWFJFHSA-N 1 1 456.543 2.518 50 0 JFAAMO COCCn1c(CN(CC[NH+](C)C)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039948 569752815 /nfs/dbraw/zinc/75/28/15/569752815.db2.gz SEEBHIPTWABKKK-UHFFFAOYSA-N 1 1 485.050 2.703 50 0 JFAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(N)=O)CC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036342228 569765556 /nfs/dbraw/zinc/76/55/56/569765556.db2.gz MVQXCVLKHPVGNC-QHCPKHFHSA-N 1 1 464.566 2.887 50 0 JFAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342564 569765861 /nfs/dbraw/zinc/76/58/61/569765861.db2.gz FGKGIAWCATYYHA-DEOSSOPVSA-N 1 1 494.592 2.978 50 0 JFAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000036342560 569765935 /nfs/dbraw/zinc/76/59/35/569765935.db2.gz PJSOGWHETXXDJZ-DEOSSOPVSA-N 1 1 464.566 2.969 50 0 JFAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C)[NH2+][C@]32c3ccccc3N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000100917678 569775632 /nfs/dbraw/zinc/77/56/32/569775632.db2.gz ZOABRWTVQIWRCJ-PDXHICKRSA-N 1 1 494.551 2.973 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000101123660 569783654 /nfs/dbraw/zinc/78/36/54/569783654.db2.gz INSOEGISNFOBEP-MDTICMOCSA-N 1 1 465.893 2.542 50 0 JFAAMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000101123660 569783655 /nfs/dbraw/zinc/78/36/55/569783655.db2.gz INSOEGISNFOBEP-MDTICMOCSA-N 1 1 465.893 2.542 50 0 JFAAMO Cc1cccc(-c2nc(N3CC[NH+](CCN4CCOCC4)CC3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037361324 569784213 /nfs/dbraw/zinc/78/42/13/569784213.db2.gz SCOMFGOASSQASK-UHFFFAOYSA-N 1 1 478.645 2.593 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@@H]3CN(C(=O)c4ccccc4C)CCO3)CC2)cc1OC ZINC000037610350 569799340 /nfs/dbraw/zinc/79/93/40/569799340.db2.gz NYTKXZVIOVIMRK-JOCHJYFZSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@@H]3CN(C(=O)c4ccccc4C)CCO3)CC2)cc1OC ZINC000037610350 569799341 /nfs/dbraw/zinc/79/93/41/569799341.db2.gz NYTKXZVIOVIMRK-JOCHJYFZSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@H+](C[C@H]3CN(C(=O)c4ccc(C)cc4)CCO3)CC2)cc1OC ZINC000037613907 569799495 /nfs/dbraw/zinc/79/94/95/569799495.db2.gz HXGDURTTYRTDEO-QHCPKHFHSA-N 1 1 481.593 2.701 50 0 JFAAMO COc1ccc(C(=O)N2CCC[N@@H+](C[C@H]3CN(C(=O)c4ccc(C)cc4)CCO3)CC2)cc1OC ZINC000037613907 569799496 /nfs/dbraw/zinc/79/94/96/569799496.db2.gz HXGDURTTYRTDEO-QHCPKHFHSA-N 1 1 481.593 2.701 50 0 JFAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCC[NH+]3CCOCC3)N2[C@@H]1c1ccccc1 ZINC000102746729 569820093 /nfs/dbraw/zinc/82/00/93/569820093.db2.gz UNFDNLYXTLVVTL-JOCHJYFZSA-N 1 1 470.595 2.663 50 0 JFAAMO CC[N@@H+](CCCNC(=O)c1nc(Cn2nc(-c3ccccc3)ccc2=O)no1)Cc1ccccc1 ZINC000040455239 569829547 /nfs/dbraw/zinc/82/95/47/569829547.db2.gz VIYWBCITWBQQQU-UHFFFAOYSA-N 1 1 472.549 2.984 50 0 JFAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCCN3CCN(S(C)(=O)=O)CC3)c2c1C ZINC000048353578 569845911 /nfs/dbraw/zinc/84/59/11/569845911.db2.gz UCXNAOGBGRIMOD-UHFFFAOYSA-N 1 1 480.704 2.529 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)COC ZINC000105003954 569849347 /nfs/dbraw/zinc/84/93/47/569849347.db2.gz WMOXLSGGRHMALN-SIKLNZKXSA-N 1 1 480.602 2.738 50 0 JFAAMO CCOC[C@@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000105004167 569849612 /nfs/dbraw/zinc/84/96/12/569849612.db2.gz KHUWGBFPTACEQC-WMZHIEFXSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1 ZINC000105004167 569849614 /nfs/dbraw/zinc/84/96/14/569849614.db2.gz KHUWGBFPTACEQC-WMZHIEFXSA-N 1 1 492.638 2.607 50 0 JFAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 ZINC000105265600 569852761 /nfs/dbraw/zinc/85/27/61/569852761.db2.gz FQVLELOTJWUMOB-ACEFXKBSSA-N 1 1 453.587 2.708 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000138084974 569865703 /nfs/dbraw/zinc/86/57/03/569865703.db2.gz ZSSMDIFBPOICDY-HOKASXAUSA-N 1 1 479.920 2.851 50 0 JFAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000138084974 569865704 /nfs/dbraw/zinc/86/57/04/569865704.db2.gz ZSSMDIFBPOICDY-HOKASXAUSA-N 1 1 479.920 2.851 50 0 JFAAMO COCCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)COC ZINC000169681548 569870702 /nfs/dbraw/zinc/87/07/02/569870702.db2.gz WLLVRQINRMHFKD-NFBKMPQASA-N 1 1 476.639 2.907 50 0 JFAAMO CC[NH+]1CCN(C(=S)SCC(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000215746865 569877688 /nfs/dbraw/zinc/87/76/88/569877688.db2.gz UDDMHVLCYDFONU-UHFFFAOYSA-N 1 1 450.630 2.882 50 0 JFAAMO COC(=O)C[C@H](c1ccc(C)o1)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225411825 569995500 /nfs/dbraw/zinc/99/55/00/569995500.db2.gz IFXJDPXZMUAPBH-ZIFCJYIRSA-N 1 1 480.517 2.723 50 0 biogenic JFAAMO COC(=O)C[C@H](c1ccc(C)o1)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225411825 569995501 /nfs/dbraw/zinc/99/55/01/569995501.db2.gz IFXJDPXZMUAPBH-ZIFCJYIRSA-N 1 1 480.517 2.723 50 0 biogenic JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247893513 570070767 /nfs/dbraw/zinc/07/07/67/570070767.db2.gz NPAYUIISMDEQGJ-LONFEIEESA-N 1 1 455.873 2.919 50 0 JFAAMO COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000247893513 570070768 /nfs/dbraw/zinc/07/07/68/570070768.db2.gz NPAYUIISMDEQGJ-LONFEIEESA-N 1 1 455.873 2.919 50 0 JFAAMO CCOC[C@H](O)C[N@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000248317540 570077456 /nfs/dbraw/zinc/07/74/56/570077456.db2.gz NDUTVZNDSPBAMD-TZIWHRDSSA-N 1 1 492.638 2.607 50 0 JFAAMO CCOC[C@H](O)C[N@@H+](CCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000248317540 570077457 /nfs/dbraw/zinc/07/74/57/570077457.db2.gz NDUTVZNDSPBAMD-TZIWHRDSSA-N 1 1 492.638 2.607 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000253389850 570095775 /nfs/dbraw/zinc/09/57/75/570095775.db2.gz VHIYIIXDRDRSKP-SMOZNVCYSA-N 1 1 465.893 2.697 50 0 JFAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000253389850 570095776 /nfs/dbraw/zinc/09/57/76/570095776.db2.gz VHIYIIXDRDRSKP-SMOZNVCYSA-N 1 1 465.893 2.697 50 0 JFAAMO COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC(=O)N2C)c(OC)c1OC ZINC000253397626 570096111 /nfs/dbraw/zinc/09/61/11/570096111.db2.gz BOIAYPLNLVSAMI-OSGXGRJZSA-N 1 1 459.587 2.613 50 0 biogenic JFAAMO CCOC(=O)c1ccc(N2C[C@@H](C(=O)N(CCOC)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000263586433 570171808 /nfs/dbraw/zinc/17/18/08/570171808.db2.gz ULLLDNGZZNDCTG-WPFOTENUSA-N 1 1 485.625 2.956 50 0 biogenic JFAAMO COCCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2Cl)C1=O ZINC000299769282 570175517 /nfs/dbraw/zinc/17/55/17/570175517.db2.gz LKOJOTIVKHFGTH-SANMLTNESA-N 1 1 483.996 2.718 50 0 JFAAMO