smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)[nH+]c1C ZINC000084727380 562751386 /nfs/dbraw/zinc/75/13/86/562751386.db2.gz UWHCWRQFNKUYCG-QUZACWSFSA-N 1 2 518.658 2.755 20 0 investigational KFADLO COCCN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514290839 1059193839 /nfs/dbraw/zinc/19/38/39/1059193839.db2.gz CGKCENXWVVCTJS-UHFFFAOYSA-N 1 2 604.737 2.918 20 0 KFADLO COc1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514291328 1059204312 /nfs/dbraw/zinc/20/43/12/1059204312.db2.gz FDFGUIUDNUTUFT-UHFFFAOYSA-N 1 2 586.740 2.683 20 0 KFADLO CC[C@@H](C)n1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000514291823 1059200235 /nfs/dbraw/zinc/20/02/35/1059200235.db2.gz HFXPSYNXNYYYHM-GOSISDBHSA-N 1 2 508.714 2.813 20 0 KFADLO CC[C@H](C)n1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000514291825 1059200306 /nfs/dbraw/zinc/20/03/06/1059200306.db2.gz HFXPSYNXNYYYHM-SFHVURJKSA-N 1 2 508.714 2.813 20 0 KFADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(F)cc2)CC1 ZINC000514291970 1059198589 /nfs/dbraw/zinc/19/85/89/1059198589.db2.gz KVHOPGVYQOVWAY-FQEVSTJZSA-N 1 2 588.731 2.739 20 0 KFADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(F)cc2)CC1 ZINC000514291975 1059199473 /nfs/dbraw/zinc/19/94/73/1059199473.db2.gz KVHOPGVYQOVWAY-HXUWFJFHSA-N 1 2 588.731 2.739 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292022 1059197645 /nfs/dbraw/zinc/19/76/45/1059197645.db2.gz JOVATFSMWAOFLS-HSZRJFAPSA-N 1 2 579.793 2.528 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514292024 1059198572 /nfs/dbraw/zinc/19/85/72/1059198572.db2.gz JOVATFSMWAOFLS-QHCPKHFHSA-N 1 2 579.793 2.528 20 0 KFADLO Cc1ccc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000514292412 1059081001 /nfs/dbraw/zinc/08/10/01/1059081001.db2.gz MNZFZGKUZDJODI-UHFFFAOYSA-N 1 2 570.741 2.982 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1CCN1CCOCC1)[NH+](C)C ZINC000514292512 1059085086 /nfs/dbraw/zinc/08/50/86/1059085086.db2.gz LITNYFMUXRLCPU-KRWDZBQOSA-N 1 2 536.724 2.691 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)n1CCN1CCOCC1)[NH+](C)C ZINC000514292514 1059084962 /nfs/dbraw/zinc/08/49/62/1059084962.db2.gz LITNYFMUXRLCPU-QGZVFWFLSA-N 1 2 536.724 2.691 20 0 KFADLO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514293111 1059082219 /nfs/dbraw/zinc/08/22/19/1059082219.db2.gz RVSGGDSJSQBLCT-FQEVSTJZSA-N 1 2 508.648 2.980 20 0 KFADLO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514293112 1059082096 /nfs/dbraw/zinc/08/20/96/1059082096.db2.gz RVSGGDSJSQBLCT-HXUWFJFHSA-N 1 2 508.648 2.980 20 0 KFADLO CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000514293614 1059087621 /nfs/dbraw/zinc/08/76/21/1059087621.db2.gz WKKUPHGDIGNNNE-IBGZPJMESA-N 1 2 523.725 2.502 20 0 KFADLO CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1S[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000514293615 1059087416 /nfs/dbraw/zinc/08/74/16/1059087416.db2.gz WKKUPHGDIGNNNE-LJQANCHMSA-N 1 2 523.725 2.502 20 0 KFADLO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000514293733 1059087006 /nfs/dbraw/zinc/08/70/06/1059087006.db2.gz XDZKNRXPNIFKOE-UHFFFAOYSA-N 1 2 542.683 2.912 20 0 KFADLO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000514293733 1059086983 /nfs/dbraw/zinc/08/69/83/1059086983.db2.gz XDZKNRXPNIFKOE-UHFFFAOYSA-N 1 2 542.683 2.912 20 0 KFADLO C[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514294385 1059097671 /nfs/dbraw/zinc/09/76/71/1059097671.db2.gz YNJJRGLTSIYXSE-FDDCHVKYSA-N 1 2 554.648 2.632 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514294386 1059097452 /nfs/dbraw/zinc/09/74/52/1059097452.db2.gz YNJJRGLTSIYXSE-JPYJTQIMSA-N 1 2 554.648 2.632 20 0 KFADLO C[C@@H](c1nnc(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514294387 1059097737 /nfs/dbraw/zinc/09/77/37/1059097737.db2.gz YNJJRGLTSIYXSE-MBSDFSHPSA-N 1 2 554.648 2.632 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514294388 1059097525 /nfs/dbraw/zinc/09/75/25/1059097525.db2.gz YNJJRGLTSIYXSE-WZONZLPQSA-N 1 2 554.648 2.632 20 0 KFADLO CCOc1ccc(CN(C)C(=O)CSc2nnc([C@@H](CC)[NH+](C)C)n2CCN2CCOCC2)cc1 ZINC000514294433 1059097976 /nfs/dbraw/zinc/09/79/76/1059097976.db2.gz ZOYXEOFOQAAEDK-JOCHJYFZSA-N 1 2 504.701 2.772 20 0 KFADLO CCOc1ccc(CN(C)C(=O)CSc2nnc([C@H](CC)[NH+](C)C)n2CCN2CCOCC2)cc1 ZINC000514294434 1059098137 /nfs/dbraw/zinc/09/81/37/1059098137.db2.gz ZOYXEOFOQAAEDK-QFIPXVFZSA-N 1 2 504.701 2.772 20 0 KFADLO C[N@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)c3)sc2C1 ZINC000514295008 1059093770 /nfs/dbraw/zinc/09/37/70/1059093770.db2.gz HBNJTCLFLPSLAR-UHFFFAOYSA-N 1 2 511.673 2.890 20 0 KFADLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)c3)sc2C1 ZINC000514295008 1059093747 /nfs/dbraw/zinc/09/37/47/1059093747.db2.gz HBNJTCLFLPSLAR-UHFFFAOYSA-N 1 2 511.673 2.890 20 0 KFADLO CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514295319 1059098559 /nfs/dbraw/zinc/09/85/59/1059098559.db2.gz CWRVBRDEOUJZLA-GOSISDBHSA-N 1 2 513.483 2.593 20 0 KFADLO CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514295320 1059098500 /nfs/dbraw/zinc/09/85/00/1059098500.db2.gz CWRVBRDEOUJZLA-SFHVURJKSA-N 1 2 513.483 2.593 20 0 KFADLO O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000514298858 1059154585 /nfs/dbraw/zinc/15/45/85/1059154585.db2.gz IOSASWUMEMEINB-UHFFFAOYSA-N 1 2 592.784 2.533 20 0 KFADLO CCOC(=O)c1c(CC(=O)OC)c(C(=O)OC)sc1NC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000514299247 1059152476 /nfs/dbraw/zinc/15/24/76/1059152476.db2.gz DTZFMXDQMQZPQA-UHFFFAOYSA-N 1 2 536.603 2.823 20 0 KFADLO CCOC(=O)c1c(CC(=O)OC)c(C(=O)OC)sc1NC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000514299247 1059152450 /nfs/dbraw/zinc/15/24/50/1059152450.db2.gz DTZFMXDQMQZPQA-UHFFFAOYSA-N 1 2 536.603 2.823 20 0 KFADLO CCCCn1c(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514299620 1059173859 /nfs/dbraw/zinc/17/38/59/1059173859.db2.gz HQDNZIIWNFKLAF-UHFFFAOYSA-N 1 2 583.755 2.939 20 0 KFADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1 ZINC000514300085 1059166110 /nfs/dbraw/zinc/16/61/10/1059166110.db2.gz SGTWWXIPATZVLZ-UHFFFAOYSA-N 1 2 501.649 2.709 20 0 KFADLO O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000514300158 1059165091 /nfs/dbraw/zinc/16/50/91/1059165091.db2.gz UKIHOGZSVSKIHU-UHFFFAOYSA-N 1 2 550.077 2.735 20 0 KFADLO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cc(I)c(=O)c(I)c2)CC1 ZINC000514300212 1059163025 /nfs/dbraw/zinc/16/30/25/1059163025.db2.gz VBJXLWODPJXEQB-UHFFFAOYSA-N 1 2 577.204 2.710 20 0 KFADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1C ZINC000514300352 1059218535 /nfs/dbraw/zinc/21/85/35/1059218535.db2.gz PMIGMHHZWVSQIC-UHFFFAOYSA-N 1 2 514.677 2.917 20 0 KFADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000514300502 1059217314 /nfs/dbraw/zinc/21/73/14/1059217314.db2.gz XAZPXXVQXGZLEB-UHFFFAOYSA-N 1 2 509.028 2.621 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000514300795 1059189577 /nfs/dbraw/zinc/18/95/77/1059189577.db2.gz QOOMSCLJKYPJRA-UHFFFAOYSA-N 1 2 501.649 2.798 20 0 KFADLO CCCNC(=O)CN(C)C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514301276 1059179533 /nfs/dbraw/zinc/17/95/33/1059179533.db2.gz ZJBHUKUYFOECRD-UHFFFAOYSA-N 1 2 510.611 2.931 20 0 KFADLO O=C(C[NH+]1CCC(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1)Nc1ccccc1 ZINC000514301828 1059221749 /nfs/dbraw/zinc/22/17/49/1059221749.db2.gz DOOLDLJIGYZMGL-UHFFFAOYSA-N 1 2 530.555 2.579 20 0 KFADLO CCCn1c(CCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514302174 1059220121 /nfs/dbraw/zinc/22/01/21/1059220121.db2.gz CUCLVMMJSKVUHL-UHFFFAOYSA-N 1 2 596.754 2.619 20 0 KFADLO CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000514302271 1059219736 /nfs/dbraw/zinc/21/97/36/1059219736.db2.gz NYFPLDOUTBQHSI-UHFFFAOYSA-N 1 2 500.665 2.872 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514303215 1059209888 /nfs/dbraw/zinc/20/98/88/1059209888.db2.gz VRVTWZCZIDRBTC-NRFANRHFSA-N 1 2 525.119 2.906 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)N(C)CCOc2ccc(Cl)cc2)n1CCN1CCOCC1)[NH+](C)C ZINC000514303219 1059210577 /nfs/dbraw/zinc/21/05/77/1059210577.db2.gz VRVTWZCZIDRBTC-OAQYLSRUSA-N 1 2 525.119 2.906 20 0 KFADLO CCCCN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514303375 1059212091 /nfs/dbraw/zinc/21/20/91/1059212091.db2.gz LCSCGWQTOWMPDS-NRFANRHFSA-N 1 2 505.710 2.830 20 0 KFADLO CCCCN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514303376 1059212159 /nfs/dbraw/zinc/21/21/59/1059212159.db2.gz LCSCGWQTOWMPDS-OAQYLSRUSA-N 1 2 505.710 2.830 20 0 KFADLO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000514303410 1059212693 /nfs/dbraw/zinc/21/26/93/1059212693.db2.gz MIZDYXWBNKOBLD-UHFFFAOYSA-N 1 2 500.665 2.512 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)NC(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514303438 1059212795 /nfs/dbraw/zinc/21/27/95/1059212795.db2.gz NEUGJYSKOGEGSB-FQEVSTJZSA-N 1 2 503.673 2.680 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)NC(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514303439 1059212736 /nfs/dbraw/zinc/21/27/36/1059212736.db2.gz NEUGJYSKOGEGSB-HXUWFJFHSA-N 1 2 503.673 2.680 20 0 KFADLO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1Br ZINC000514304431 1059214581 /nfs/dbraw/zinc/21/45/81/1059214581.db2.gz TZBPCDNURZSVOM-UHFFFAOYSA-N 1 2 512.426 2.711 20 0 KFADLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514374386 1059232887 /nfs/dbraw/zinc/23/28/87/1059232887.db2.gz BBRCSTSCMLLENZ-HKUYNNGSSA-N 1 2 504.657 2.514 20 0 KFADLO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514374389 1059232772 /nfs/dbraw/zinc/23/27/72/1059232772.db2.gz BBRCSTSCMLLENZ-IEBWSBKVSA-N 1 2 504.657 2.514 20 0 KFADLO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514374390 1059232691 /nfs/dbraw/zinc/23/26/91/1059232691.db2.gz BBRCSTSCMLLENZ-MJGOQNOKSA-N 1 2 504.657 2.514 20 0 KFADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514374391 1059232840 /nfs/dbraw/zinc/23/28/40/1059232840.db2.gz BBRCSTSCMLLENZ-PKOBYXMFSA-N 1 2 504.657 2.514 20 0 KFADLO COCCN(C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514374451 1059236862 /nfs/dbraw/zinc/23/68/62/1059236862.db2.gz CPUMNDIXDGQJRZ-UHFFFAOYSA-N 1 2 604.737 2.587 20 0 KFADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)CC1 ZINC000514374621 1059235708 /nfs/dbraw/zinc/23/57/08/1059235708.db2.gz DEBBBZAUEWQJSN-NRFANRHFSA-N 1 2 602.758 2.798 20 0 KFADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)CC1 ZINC000514374622 1059235775 /nfs/dbraw/zinc/23/57/75/1059235775.db2.gz DEBBBZAUEWQJSN-OAQYLSRUSA-N 1 2 602.758 2.798 20 0 KFADLO CCOC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514374891 1059235042 /nfs/dbraw/zinc/23/50/42/1059235042.db2.gz HHQKOFQDSMERTN-FQEVSTJZSA-N 1 2 504.657 2.531 20 0 KFADLO CCOC(=O)c1ccccc1NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000514374892 1059235118 /nfs/dbraw/zinc/23/51/18/1059235118.db2.gz HHQKOFQDSMERTN-HXUWFJFHSA-N 1 2 504.657 2.531 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1CCN1CCOCC1)[NH+](C)C ZINC000514375007 1059233877 /nfs/dbraw/zinc/23/38/77/1059233877.db2.gz JUYRETQQVISOLJ-INIZCTEOSA-N 1 2 512.583 2.675 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1CCN1CCOCC1)[NH+](C)C ZINC000514375008 1059233800 /nfs/dbraw/zinc/23/38/00/1059233800.db2.gz JUYRETQQVISOLJ-MRXNPFEDSA-N 1 2 512.583 2.675 20 0 KFADLO C[NH+]1CCN(C(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCCCC2)CC1 ZINC000514375123 1059233839 /nfs/dbraw/zinc/23/38/39/1059233839.db2.gz LGHVOCANNJZSNL-UHFFFAOYSA-N 1 2 562.762 2.727 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)Nc2ccccc2I)n1CCN1CCOCC1)[NH+](C)C ZINC000514375129 1059233916 /nfs/dbraw/zinc/23/39/16/1059233916.db2.gz LJMYBMNMFZARKE-GOSISDBHSA-N 1 2 558.490 2.958 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)Nc2ccccc2I)n1CCN1CCOCC1)[NH+](C)C ZINC000514375130 1059233375 /nfs/dbraw/zinc/23/33/75/1059233375.db2.gz LJMYBMNMFZARKE-SFHVURJKSA-N 1 2 558.490 2.958 20 0 KFADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000514375226 1059233436 /nfs/dbraw/zinc/23/34/36/1059233436.db2.gz MVMJRNQKMNPJNY-UHFFFAOYSA-N 1 2 556.714 2.674 20 0 KFADLO CCN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514375591 1059242268 /nfs/dbraw/zinc/24/22/68/1059242268.db2.gz SOOJFHKWKBWPMG-GOSISDBHSA-N 1 2 543.662 2.982 20 0 KFADLO CCN(C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000514375593 1059242181 /nfs/dbraw/zinc/24/21/81/1059242181.db2.gz SOOJFHKWKBWPMG-SFHVURJKSA-N 1 2 543.662 2.982 20 0 KFADLO NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(OC(F)F)cc2)cc1 ZINC000514375821 1059240892 /nfs/dbraw/zinc/24/08/92/1059240892.db2.gz XFFUFLLMOQJKLY-UHFFFAOYSA-N 1 2 580.683 2.953 20 0 KFADLO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000514375919 1059240288 /nfs/dbraw/zinc/24/02/88/1059240288.db2.gz WUJBZUIYZNILKG-IFMALSPDSA-N 1 2 556.737 2.540 20 0 KFADLO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000514375920 1059240488 /nfs/dbraw/zinc/24/04/88/1059240488.db2.gz WUJBZUIYZNILKG-IRLDBZIGSA-N 1 2 556.737 2.540 20 0 KFADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000514375921 1059240349 /nfs/dbraw/zinc/24/03/49/1059240349.db2.gz WUJBZUIYZNILKG-RBBKRZOGSA-N 1 2 556.737 2.540 20 0 KFADLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1CCN1CCOCC1)[NH+](C)C ZINC000514375922 1059240447 /nfs/dbraw/zinc/24/04/47/1059240447.db2.gz WUJBZUIYZNILKG-UNMCSNQZSA-N 1 2 556.737 2.540 20 0 KFADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000514376469 1059254223 /nfs/dbraw/zinc/25/42/23/1059254223.db2.gz ANUWTKKEOBHBOA-UHFFFAOYSA-N 1 2 518.686 2.965 20 0 KFADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000514376469 1059254203 /nfs/dbraw/zinc/25/42/03/1059254203.db2.gz ANUWTKKEOBHBOA-UHFFFAOYSA-N 1 2 518.686 2.965 20 0 KFADLO CCCCn1c(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514377238 1059246321 /nfs/dbraw/zinc/24/63/21/1059246321.db2.gz OMDVGPYFFXIJAB-UHFFFAOYSA-N 1 2 540.690 2.534 20 0 KFADLO CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1)[NH+]1CCOCC1 ZINC000514377239 1059246732 /nfs/dbraw/zinc/24/67/32/1059246732.db2.gz OMJCVMSXEGVJCI-UHFFFAOYSA-N 1 2 567.344 2.839 20 0 KFADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1OC ZINC000514377482 1059263532 /nfs/dbraw/zinc/26/35/32/1059263532.db2.gz XVLDUNQOZFHVBT-UHFFFAOYSA-N 1 2 558.682 2.992 20 0 KFADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1OC ZINC000514377482 1059263513 /nfs/dbraw/zinc/26/35/13/1059263513.db2.gz XVLDUNQOZFHVBT-UHFFFAOYSA-N 1 2 558.682 2.992 20 0 KFADLO Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000514381818 1059356237 /nfs/dbraw/zinc/35/62/37/1059356237.db2.gz UNCUIMGUFGXJFD-UHFFFAOYSA-N 1 2 508.040 2.506 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)CC2)cc1OC ZINC000514381874 1059355432 /nfs/dbraw/zinc/35/54/32/1059355432.db2.gz ALTSLBALGYYQIW-UHFFFAOYSA-N 1 2 552.093 2.981 20 0 KFADLO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[N@@H+](CC(=O)N2CCCc3cc(OC)ccc32)CC1 ZINC000514381915 1059355882 /nfs/dbraw/zinc/35/58/82/1059355882.db2.gz BHJLXRMQVLEKOK-UHFFFAOYSA-N 1 2 506.647 2.970 20 0 KFADLO COc1ccc2c(c1)CCCN2C(=O)CN1CCC[N@H+](CC(=O)N2CCCc3cc(OC)ccc32)CC1 ZINC000514381915 1059355860 /nfs/dbraw/zinc/35/58/60/1059355860.db2.gz BHJLXRMQVLEKOK-UHFFFAOYSA-N 1 2 506.647 2.970 20 0 KFADLO COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C(=O)OC)c1C ZINC000514382475 1059287827 /nfs/dbraw/zinc/28/78/27/1059287827.db2.gz MMCTXJFULOSLGW-FQEVSTJZSA-N 1 2 597.781 2.683 20 0 KFADLO COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C(=O)OC)c1C ZINC000514382476 1059287774 /nfs/dbraw/zinc/28/77/74/1059287774.db2.gz MMCTXJFULOSLGW-HXUWFJFHSA-N 1 2 597.781 2.683 20 0 KFADLO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c1C(=O)OC ZINC000514383005 1059291145 /nfs/dbraw/zinc/29/11/45/1059291145.db2.gz DQPVJFLIESIDSC-UHFFFAOYSA-N 1 2 514.503 2.709 20 0 KFADLO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1C(=O)OC ZINC000514383005 1059291131 /nfs/dbraw/zinc/29/11/31/1059291131.db2.gz DQPVJFLIESIDSC-UHFFFAOYSA-N 1 2 514.503 2.709 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514383018 1059289858 /nfs/dbraw/zinc/28/98/58/1059289858.db2.gz DUYLVHVQDPHCLL-UHFFFAOYSA-N 1 2 574.704 2.932 20 0 KFADLO O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514383123 1059288947 /nfs/dbraw/zinc/28/89/47/1059288947.db2.gz CNAPRQQCVHVGHA-UHFFFAOYSA-N 1 2 578.757 2.781 20 0 KFADLO CCCn1c(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514383422 1059302235 /nfs/dbraw/zinc/30/22/35/1059302235.db2.gz DKIIKKMQGOTDGS-UHFFFAOYSA-N 1 2 500.621 2.870 20 0 KFADLO CCCn1c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514383422 1059302221 /nfs/dbraw/zinc/30/22/21/1059302221.db2.gz DKIIKKMQGOTDGS-UHFFFAOYSA-N 1 2 500.621 2.870 20 0 KFADLO Cc1c(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000514383430 1059302327 /nfs/dbraw/zinc/30/23/27/1059302327.db2.gz JAZTURSFLVXHSP-NRFANRHFSA-N 1 2 537.686 2.693 20 0 KFADLO Cc1c(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000514383431 1059302274 /nfs/dbraw/zinc/30/22/74/1059302274.db2.gz JAZTURSFLVXHSP-OAQYLSRUSA-N 1 2 537.686 2.693 20 0 KFADLO CCCCN(C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514383437 1059302396 /nfs/dbraw/zinc/30/23/96/1059302396.db2.gz DNTLBPKBKUMGOA-UHFFFAOYSA-N 1 2 510.561 2.915 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000514383448 1059302474 /nfs/dbraw/zinc/30/24/74/1059302474.db2.gz JFSOLIDFXHGTTE-NRFANRHFSA-N 1 2 579.745 2.786 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000514383449 1059302434 /nfs/dbraw/zinc/30/24/34/1059302434.db2.gz JFSOLIDFXHGTTE-OAQYLSRUSA-N 1 2 579.745 2.786 20 0 KFADLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC000514384521 1059308320 /nfs/dbraw/zinc/30/83/20/1059308320.db2.gz UYEYVJRBYDCPFW-UHFFFAOYSA-N 1 2 501.649 2.635 20 0 KFADLO Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)cc1S(=O)(=O)N(C)C ZINC000514384522 1059308061 /nfs/dbraw/zinc/30/80/61/1059308061.db2.gz UYPAEZTVVOLIKY-UHFFFAOYSA-N 1 2 562.693 2.706 20 0 KFADLO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1C(=O)OC ZINC000514384533 1059308139 /nfs/dbraw/zinc/30/81/39/1059308139.db2.gz VJCJZESKMITAEY-UHFFFAOYSA-N 1 2 544.529 2.717 20 0 KFADLO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1C(=O)OC ZINC000514384533 1059308114 /nfs/dbraw/zinc/30/81/14/1059308114.db2.gz VJCJZESKMITAEY-UHFFFAOYSA-N 1 2 544.529 2.717 20 0 KFADLO O=C(CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514386117 1059311548 /nfs/dbraw/zinc/31/15/48/1059311548.db2.gz DLRCQEDBTLTNDE-UHFFFAOYSA-N 1 2 508.526 2.802 20 0 KFADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000514386154 1059309891 /nfs/dbraw/zinc/30/98/91/1059309891.db2.gz GAUFZLBEPWKDJM-UHFFFAOYSA-N 1 2 544.678 2.627 20 0 KFADLO C[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514386159 1059310375 /nfs/dbraw/zinc/31/03/75/1059310375.db2.gz GFLMUYKJOYBUHY-KRWDZBQOSA-N 1 2 550.657 2.793 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000514386160 1059310460 /nfs/dbraw/zinc/31/04/60/1059310460.db2.gz GFLMUYKJOYBUHY-QGZVFWFLSA-N 1 2 550.657 2.793 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)CC2)cc1OC ZINC000514386181 1059310331 /nfs/dbraw/zinc/31/03/31/1059310331.db2.gz GUKBBNIJKJYSJX-GOSISDBHSA-N 1 2 592.719 2.671 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)CC2)cc1OC ZINC000514386182 1059310271 /nfs/dbraw/zinc/31/02/71/1059310271.db2.gz GUKBBNIJKJYSJX-SFHVURJKSA-N 1 2 592.719 2.671 20 0 KFADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C[NH+]4CCCC4)n3Cc3ccccc3)CC2)cc1 ZINC000514386295 1059310912 /nfs/dbraw/zinc/31/09/12/1059310912.db2.gz JOWIJXUOSKDVFV-UHFFFAOYSA-N 1 2 582.752 2.750 20 0 KFADLO O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514386497 1059322005 /nfs/dbraw/zinc/32/20/05/1059322005.db2.gz QBTCKEKTSHZNSG-UHFFFAOYSA-N 1 2 508.648 2.726 20 0 KFADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514386569 1059322303 /nfs/dbraw/zinc/32/23/03/1059322303.db2.gz SUDKBHRXADGEAS-UHFFFAOYSA-N 1 2 598.751 2.650 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)CC2)cc1 ZINC000514386604 1059321315 /nfs/dbraw/zinc/32/13/15/1059321315.db2.gz VBIQBCZVIQTGDU-GOSISDBHSA-N 1 2 562.693 2.663 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)CC2)cc1 ZINC000514386605 1059321365 /nfs/dbraw/zinc/32/13/65/1059321365.db2.gz VBIQBCZVIQTGDU-SFHVURJKSA-N 1 2 562.693 2.663 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000514386623 1059321857 /nfs/dbraw/zinc/32/18/57/1059321857.db2.gz VYHUUHMHEBSMFV-UHFFFAOYSA-N 1 2 528.629 2.996 20 0 KFADLO CCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nnc1[C@H](CC)[NH+](C)C ZINC000514386634 1059321940 /nfs/dbraw/zinc/32/19/40/1059321940.db2.gz WFYISXQKZOTPNY-FQEVSTJZSA-N 1 2 568.766 2.733 20 0 KFADLO CCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nnc1[C@@H](CC)[NH+](C)C ZINC000514386635 1059321897 /nfs/dbraw/zinc/32/18/97/1059321897.db2.gz WFYISXQKZOTPNY-HXUWFJFHSA-N 1 2 568.766 2.733 20 0 KFADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000514386693 1059320958 /nfs/dbraw/zinc/32/09/58/1059320958.db2.gz YPRSFJOFPBYPKR-UHFFFAOYSA-N 1 2 544.678 2.627 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)CC2)cc1OC ZINC000514386721 1059321021 /nfs/dbraw/zinc/32/10/21/1059321021.db2.gz ZQIFEQRXKWAOGX-UHFFFAOYSA-N 1 2 586.740 2.506 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000514386722 1059320850 /nfs/dbraw/zinc/32/08/50/1059320850.db2.gz ZRMJJYWYYJWIRG-UHFFFAOYSA-N 1 2 540.665 2.979 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)n1CCN1CCOCC1)[NH+](C)C ZINC000514386730 1059321272 /nfs/dbraw/zinc/32/12/72/1059321272.db2.gz ZYKQXNBYIVEIIP-NRFANRHFSA-N 1 2 596.596 2.883 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)n1CCN1CCOCC1)[NH+](C)C ZINC000514386731 1059321480 /nfs/dbraw/zinc/32/14/80/1059321480.db2.gz ZYKQXNBYIVEIIP-OAQYLSRUSA-N 1 2 596.596 2.883 20 0 KFADLO COc1ccc(CCn2c(=O)c3c4c(sc3nc2SC[C@H](O)C[NH+]2CCOCC2)CCC4)cc1OC ZINC000514386757 1059320371 /nfs/dbraw/zinc/32/03/71/1059320371.db2.gz AUXIWMPVLVMUCQ-GOSISDBHSA-N 1 2 531.700 2.992 20 0 KFADLO COc1ccc(CCn2c(=O)c3c4c(sc3nc2SC[C@@H](O)C[NH+]2CCOCC2)CCC4)cc1OC ZINC000514386758 1059320441 /nfs/dbraw/zinc/32/04/41/1059320441.db2.gz AUXIWMPVLVMUCQ-SFHVURJKSA-N 1 2 531.700 2.992 20 0 KFADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000514386965 1059318277 /nfs/dbraw/zinc/31/82/77/1059318277.db2.gz AVJHCRRMKXAVRZ-AWEZNQCLSA-N 1 2 532.320 2.731 20 0 KFADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000514386966 1059318218 /nfs/dbraw/zinc/31/82/18/1059318218.db2.gz AVJHCRRMKXAVRZ-CQSZACIVSA-N 1 2 532.320 2.731 20 0 KFADLO O=C(CN1CCN(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)CC1)Nc1ccccc1C(F)(F)F ZINC000514387286 1059316107 /nfs/dbraw/zinc/31/61/07/1059316107.db2.gz FTVVHLKFKHPQPX-UHFFFAOYSA-N 1 2 509.598 2.667 20 0 KFADLO CCCCN(C(=O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000514387553 1059328192 /nfs/dbraw/zinc/32/81/92/1059328192.db2.gz JIULIVJOMRCDNQ-UHFFFAOYSA-N 1 2 548.692 2.757 20 0 KFADLO Cc1cc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000514387930 1059325171 /nfs/dbraw/zinc/32/51/71/1059325171.db2.gz OBKKBJZEVHIFBG-UHFFFAOYSA-N 1 2 543.690 2.819 20 0 KFADLO CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)C[NH+](CCO)CCO)c1 ZINC000514388110 1059324649 /nfs/dbraw/zinc/32/46/49/1059324649.db2.gz OYISYWYVGRXEOB-UHFFFAOYSA-N 1 2 516.085 2.747 20 0 KFADLO CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000514388136 1059324040 /nfs/dbraw/zinc/32/40/40/1059324040.db2.gz VNSJXMBQHMZAKC-UHFFFAOYSA-N 1 2 528.097 2.682 20 0 KFADLO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(=O)[nH]c1=O ZINC000514388331 1059323789 /nfs/dbraw/zinc/32/37/89/1059323789.db2.gz OPGFOWIKSFLBGR-UHFFFAOYSA-N 1 2 518.684 2.506 20 0 KFADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000514388804 1059332903 /nfs/dbraw/zinc/33/29/03/1059332903.db2.gz ZSRGVKQVPPFBPW-UHFFFAOYSA-N 1 2 505.584 2.852 20 0 KFADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000514388804 1059332881 /nfs/dbraw/zinc/33/28/81/1059332881.db2.gz ZSRGVKQVPPFBPW-UHFFFAOYSA-N 1 2 505.584 2.852 20 0 KFADLO CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514388915 1059332438 /nfs/dbraw/zinc/33/24/38/1059332438.db2.gz VHBFYLKEDPJHJM-HKUYNNGSSA-N 1 2 506.673 2.760 20 0 KFADLO CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514388916 1059332539 /nfs/dbraw/zinc/33/25/39/1059332539.db2.gz VHBFYLKEDPJHJM-IEBWSBKVSA-N 1 2 506.673 2.760 20 0 KFADLO CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514388917 1059332588 /nfs/dbraw/zinc/33/25/88/1059332588.db2.gz VHBFYLKEDPJHJM-MJGOQNOKSA-N 1 2 506.673 2.760 20 0 KFADLO CC[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)n1CCN1CCOCC1)[NH+](C)C ZINC000514388918 1059332503 /nfs/dbraw/zinc/33/25/03/1059332503.db2.gz VHBFYLKEDPJHJM-PKOBYXMFSA-N 1 2 506.673 2.760 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514389004 1059331128 /nfs/dbraw/zinc/33/11/28/1059331128.db2.gz XHJUTXNLZPDNGN-AHRSYUTCSA-N 1 2 542.127 2.830 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514389005 1059331482 /nfs/dbraw/zinc/33/14/82/1059331482.db2.gz XHJUTXNLZPDNGN-LSTHTHJFSA-N 1 2 542.127 2.830 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514389006 1059331631 /nfs/dbraw/zinc/33/16/31/1059331631.db2.gz XHJUTXNLZPDNGN-NSISKUIASA-N 1 2 542.127 2.830 20 0 KFADLO C[C@H](c1nnc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000514389007 1059331591 /nfs/dbraw/zinc/33/15/91/1059331591.db2.gz XHJUTXNLZPDNGN-UXPWSPDFSA-N 1 2 542.127 2.830 20 0 KFADLO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000514389151 1059330113 /nfs/dbraw/zinc/33/01/13/1059330113.db2.gz AMACTKJCEVRWFT-UHFFFAOYSA-N 1 2 501.653 2.861 20 0 KFADLO COc1ccc(C(=O)N2CC[NH+](CCC(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3Cl)CC2)cc1OC ZINC000514389238 1059335524 /nfs/dbraw/zinc/33/55/24/1059335524.db2.gz DKPGUZAVFFMWPH-UHFFFAOYSA-N 1 2 565.092 2.928 20 0 KFADLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514389579 1059341662 /nfs/dbraw/zinc/34/16/62/1059341662.db2.gz KIGRTJFAUHHPMH-GOSISDBHSA-N 1 2 513.605 2.803 20 0 KFADLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514389579 1059341643 /nfs/dbraw/zinc/34/16/43/1059341643.db2.gz KIGRTJFAUHHPMH-GOSISDBHSA-N 1 2 513.605 2.803 20 0 KFADLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514389580 1059341780 /nfs/dbraw/zinc/34/17/80/1059341780.db2.gz KIGRTJFAUHHPMH-SFHVURJKSA-N 1 2 513.605 2.803 20 0 KFADLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000514389580 1059341764 /nfs/dbraw/zinc/34/17/64/1059341764.db2.gz KIGRTJFAUHHPMH-SFHVURJKSA-N 1 2 513.605 2.803 20 0 KFADLO CCCn1c(CCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000514389863 1059340681 /nfs/dbraw/zinc/34/06/81/1059340681.db2.gz PRVNKTIBEOUUKV-UHFFFAOYSA-N 1 2 513.668 2.597 20 0 KFADLO O=C(CC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514390160 1059338983 /nfs/dbraw/zinc/33/89/83/1059338983.db2.gz ZTTWITYEJYXOFK-UHFFFAOYSA-N 1 2 536.601 2.859 20 0 KFADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000514390236 1059338277 /nfs/dbraw/zinc/33/82/77/1059338277.db2.gz CLZQMPCAZYOJGS-UHFFFAOYSA-N 1 2 588.731 2.738 20 0 KFADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)CC2)cc1 ZINC000514390349 1059336872 /nfs/dbraw/zinc/33/68/72/1059336872.db2.gz GYKPHNNEZDIACM-NHCUHLMSSA-N 1 2 501.649 2.841 20 0 KFADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC000514390350 1059336622 /nfs/dbraw/zinc/33/66/22/1059336622.db2.gz GYKPHNNEZDIACM-OYRHEFFESA-N 1 2 501.649 2.841 20 0 KFADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)CC2)cc1 ZINC000514390351 1059336742 /nfs/dbraw/zinc/33/67/42/1059336742.db2.gz GYKPHNNEZDIACM-SFTDATJTSA-N 1 2 501.649 2.841 20 0 KFADLO O=C(CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000514390726 1059345264 /nfs/dbraw/zinc/34/52/64/1059345264.db2.gz ATWVSPRMPVEQBK-UHFFFAOYSA-N 1 2 554.692 2.657 20 0 KFADLO O=C(CC[NH+]1CCN(C(=O)c2cccs2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000514390870 1059344245 /nfs/dbraw/zinc/34/42/45/1059344245.db2.gz ABVVUOZCTBRRCD-UHFFFAOYSA-N 1 2 511.069 2.973 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)N(CC)Cc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514391003 1059343076 /nfs/dbraw/zinc/34/30/76/1059343076.db2.gz DPSKWGRTTJZDOX-NRFANRHFSA-N 1 2 532.711 2.535 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)N(CC)Cc2ccc3c(c2)OCCO3)n1CCN1CCOCC1)[NH+](C)C ZINC000514391004 1059342978 /nfs/dbraw/zinc/34/29/78/1059342978.db2.gz DPSKWGRTTJZDOX-OAQYLSRUSA-N 1 2 532.711 2.535 20 0 KFADLO CCOCCCn1c2nnc(SCC(=O)NCc3ccccc3C[NH+]3CCOCC3)n2c2ccccc2c1=O ZINC000514391442 1059350512 /nfs/dbraw/zinc/35/05/12/1059350512.db2.gz JTRCUKKCHVLQLY-UHFFFAOYSA-N 1 2 550.685 2.712 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000514391583 1059349849 /nfs/dbraw/zinc/34/98/49/1059349849.db2.gz LUBSCMMXDHKIAT-GOSISDBHSA-N 1 2 597.785 2.715 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000514391583 1059349826 /nfs/dbraw/zinc/34/98/26/1059349826.db2.gz LUBSCMMXDHKIAT-GOSISDBHSA-N 1 2 597.785 2.715 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000514391586 1059349921 /nfs/dbraw/zinc/34/99/21/1059349921.db2.gz LUBSCMMXDHKIAT-SFHVURJKSA-N 1 2 597.785 2.715 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000514391586 1059349897 /nfs/dbraw/zinc/34/98/97/1059349897.db2.gz LUBSCMMXDHKIAT-SFHVURJKSA-N 1 2 597.785 2.715 20 0 KFADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)CC1 ZINC000514391660 1059349253 /nfs/dbraw/zinc/34/92/53/1059349253.db2.gz OWAJYGQDEHJRHC-INIZCTEOSA-N 1 2 568.125 2.773 20 0 KFADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)CC1 ZINC000514391665 1059349177 /nfs/dbraw/zinc/34/91/77/1059349177.db2.gz OWAJYGQDEHJRHC-MRXNPFEDSA-N 1 2 568.125 2.773 20 0 KFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000514392186 1059351623 /nfs/dbraw/zinc/35/16/23/1059351623.db2.gz RYTDKZBKWXFBTN-UHFFFAOYSA-N 1 2 503.529 2.508 20 0 KFADLO COc1ccccc1N(CCC(N)=O)C(=O)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000514392472 1059385321 /nfs/dbraw/zinc/38/53/21/1059385321.db2.gz WPCUKKDHCPZIIM-UHFFFAOYSA-N 1 2 508.648 2.932 20 0 KFADLO NS(=O)(=O)c1ccc(CCNC(=O)CCSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)cc1 ZINC000514392617 1059385077 /nfs/dbraw/zinc/38/50/77/1059385077.db2.gz ZDUFZRGVRDNYMZ-UHFFFAOYSA-N 1 2 546.694 2.881 20 0 KFADLO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2c1 ZINC000514393160 1059382333 /nfs/dbraw/zinc/38/23/33/1059382333.db2.gz PTLGSZLBCVIJRY-UHFFFAOYSA-N 1 2 539.658 2.804 20 0 KFADLO CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000514393380 1059392408 /nfs/dbraw/zinc/39/24/08/1059392408.db2.gz YQIARWTZGBHMCK-UHFFFAOYSA-N 1 2 514.648 2.509 20 0 KFADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000514393645 1059390574 /nfs/dbraw/zinc/39/05/74/1059390574.db2.gz IFNRGXWNCOKSCJ-UHFFFAOYSA-N 1 2 597.785 2.715 20 0 KFADLO Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)c1 ZINC000514393677 1059390957 /nfs/dbraw/zinc/39/09/57/1059390957.db2.gz IXFRAOHXYHTTAT-UHFFFAOYSA-N 1 2 533.720 2.998 20 0 KFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000514393785 1059389931 /nfs/dbraw/zinc/38/99/31/1059389931.db2.gz KHIABKUTRRNWMK-NRFANRHFSA-N 1 2 536.492 2.998 20 0 KFADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000514393786 1059389800 /nfs/dbraw/zinc/38/98/00/1059389800.db2.gz KHIABKUTRRNWMK-OAQYLSRUSA-N 1 2 536.492 2.998 20 0 KFADLO COC(=O)c1sc(NC(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c(C(=O)OC)c1C ZINC000514394493 1059398960 /nfs/dbraw/zinc/39/89/60/1059398960.db2.gz WLDUFXIQLZXBQS-UHFFFAOYSA-N 1 2 537.038 2.868 20 0 KFADLO CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000514394930 1059395050 /nfs/dbraw/zinc/39/50/50/1059395050.db2.gz WSSGKAJRPZOQJE-DEOSSOPVSA-N 1 2 548.731 2.705 20 0 KFADLO CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000514394931 1059395240 /nfs/dbraw/zinc/39/52/40/1059395240.db2.gz WSSGKAJRPZOQJE-XMMPIXPASA-N 1 2 548.731 2.705 20 0 KFADLO CCCCn1c(CCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514394973 1059395463 /nfs/dbraw/zinc/39/54/63/1059395463.db2.gz YILXRBXVRFINIP-UHFFFAOYSA-N 1 2 579.731 2.579 20 0 KFADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000514395446 1059406739 /nfs/dbraw/zinc/40/67/39/1059406739.db2.gz KWGOHHZUJGTPES-UHFFFAOYSA-N 1 2 500.621 2.576 20 0 KFADLO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000514400811 1059362121 /nfs/dbraw/zinc/36/21/21/1059362121.db2.gz BAVDFUCHFQGYAK-UHFFFAOYSA-N 1 2 516.664 2.638 20 0 KFADLO O=C(CC[NH+]1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000514400839 1059362074 /nfs/dbraw/zinc/36/20/74/1059362074.db2.gz BWWZEHIAECJVJV-UHFFFAOYSA-N 1 2 584.526 2.599 20 0 KFADLO COCCN(C(=O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514401149 1059360469 /nfs/dbraw/zinc/36/04/69/1059360469.db2.gz NTWSWKYKFXLHGJ-FQEVSTJZSA-N 1 2 517.677 2.937 20 0 KFADLO COCCN(C(=O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514401149 1059360443 /nfs/dbraw/zinc/36/04/43/1059360443.db2.gz NTWSWKYKFXLHGJ-FQEVSTJZSA-N 1 2 517.677 2.937 20 0 KFADLO COCCN(C(=O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514401150 1059360397 /nfs/dbraw/zinc/36/03/97/1059360397.db2.gz NTWSWKYKFXLHGJ-HXUWFJFHSA-N 1 2 517.677 2.937 20 0 KFADLO COCCN(C(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514401150 1059360372 /nfs/dbraw/zinc/36/03/72/1059360372.db2.gz NTWSWKYKFXLHGJ-HXUWFJFHSA-N 1 2 517.677 2.937 20 0 KFADLO COc1ccccc1N1CC[NH+](CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000514401198 1059359617 /nfs/dbraw/zinc/35/96/17/1059359617.db2.gz PCDZTQOWTGPWKL-UHFFFAOYSA-N 1 2 519.568 2.619 20 0 KFADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 ZINC000514401265 1059359205 /nfs/dbraw/zinc/35/92/05/1059359205.db2.gz QYCOITAJDHEFKX-UHFFFAOYSA-N 1 2 528.675 2.782 20 0 KFADLO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(OC)c1 ZINC000514401278 1059359099 /nfs/dbraw/zinc/35/90/99/1059359099.db2.gz RJTWBOBIOIHEFU-UHFFFAOYSA-N 1 2 508.541 2.937 20 0 KFADLO COc1ccc(C[N@H+](C)CC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(OC)c1 ZINC000514401278 1059359076 /nfs/dbraw/zinc/35/90/76/1059359076.db2.gz RJTWBOBIOIHEFU-UHFFFAOYSA-N 1 2 508.541 2.937 20 0 KFADLO COc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3cccs3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000514401896 1059365543 /nfs/dbraw/zinc/36/55/43/1059365543.db2.gz BCKSIBJNLBSJSX-UHFFFAOYSA-N 1 2 520.677 2.718 20 0 KFADLO CCOc1ccc(C[NH+]2CCN(C(=O)CCc3nc4cc(S(=O)(=O)N(C)C)ccc4n3CC)CC2)cc1 ZINC000514401910 1059365380 /nfs/dbraw/zinc/36/53/80/1059365380.db2.gz BNKMUQWCAOIWLO-UHFFFAOYSA-N 1 2 527.691 2.982 20 0 KFADLO O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000514402232 1059362942 /nfs/dbraw/zinc/36/29/42/1059362942.db2.gz MFSCOFCQFFGGRR-UHFFFAOYSA-N 1 2 563.746 2.621 20 0 KFADLO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c(C(=O)OC)c1C ZINC000514402680 1059370507 /nfs/dbraw/zinc/37/05/07/1059370507.db2.gz RFLMEXZNEWDBEG-UHFFFAOYSA-N 1 2 574.681 2.592 20 0 KFADLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC000514402875 1059369242 /nfs/dbraw/zinc/36/92/42/1059369242.db2.gz GNYVFCMSTKTYPI-UHFFFAOYSA-N 1 2 502.637 2.605 20 0 KFADLO CCC(CC)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[NH+]1CCOCC1 ZINC000514403288 1059367379 /nfs/dbraw/zinc/36/73/79/1059367379.db2.gz SGYIYUKXGSHOLB-HSZRJFAPSA-N 1 2 515.636 2.936 20 0 KFADLO CCC(CC)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)[NH+]1CCOCC1 ZINC000514403289 1059367143 /nfs/dbraw/zinc/36/71/43/1059367143.db2.gz SGYIYUKXGSHOLB-QHCPKHFHSA-N 1 2 515.636 2.936 20 0 KFADLO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514403590 1059378686 /nfs/dbraw/zinc/37/86/86/1059378686.db2.gz NZPNVIFXHZCJNF-IBGZPJMESA-N 1 2 509.673 2.796 20 0 KFADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514403596 1059378627 /nfs/dbraw/zinc/37/86/27/1059378627.db2.gz NZPNVIFXHZCJNF-LJQANCHMSA-N 1 2 509.673 2.796 20 0 KFADLO Cc1ccc(-n2c(SCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)nnc2N2CCOCC2)cc1 ZINC000514403838 1059376595 /nfs/dbraw/zinc/37/65/95/1059376595.db2.gz RLPQDKXMCAUSSQ-UHFFFAOYSA-N 1 2 508.648 2.975 20 0 KFADLO CC[C@H](c1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1CCN1CCOCC1)[NH+](C)C ZINC000514403961 1059376765 /nfs/dbraw/zinc/37/67/65/1059376765.db2.gz UYVLJYKSUPVVAU-GOSISDBHSA-N 1 2 519.697 2.972 20 0 KFADLO CC[C@@H](c1nnc(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1CCN1CCOCC1)[NH+](C)C ZINC000514403962 1059376500 /nfs/dbraw/zinc/37/65/00/1059376500.db2.gz UYVLJYKSUPVVAU-SFHVURJKSA-N 1 2 519.697 2.972 20 0 KFADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000514404569 1059417258 /nfs/dbraw/zinc/41/72/58/1059417258.db2.gz ILTSMUCBWMBZCU-AEFFLSMTSA-N 1 2 543.662 2.981 20 0 KFADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000514404570 1059417325 /nfs/dbraw/zinc/41/73/25/1059417325.db2.gz ILTSMUCBWMBZCU-FUHWJXTLSA-N 1 2 543.662 2.981 20 0 KFADLO C[C@@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000514404571 1059417418 /nfs/dbraw/zinc/41/74/18/1059417418.db2.gz ILTSMUCBWMBZCU-SJLPKXTDSA-N 1 2 543.662 2.981 20 0 KFADLO C[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000514404572 1059417394 /nfs/dbraw/zinc/41/73/94/1059417394.db2.gz ILTSMUCBWMBZCU-WMZOPIPTSA-N 1 2 543.662 2.981 20 0 KFADLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3N3CCOCC3)CC2)c1 ZINC000514404653 1059416284 /nfs/dbraw/zinc/41/62/84/1059416284.db2.gz HPZGIZYPLTZOMT-UHFFFAOYSA-N 1 2 526.703 2.964 20 0 KFADLO Cn1c(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514404991 1059409535 /nfs/dbraw/zinc/40/95/35/1059409535.db2.gz PFQFXQZXTCYSAK-UHFFFAOYSA-N 1 2 532.692 2.608 20 0 KFADLO CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000514405198 1059409607 /nfs/dbraw/zinc/40/96/07/1059409607.db2.gz RRQNDLSYZNTEJQ-UHFFFAOYSA-N 1 2 546.694 2.735 20 0 KFADLO COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C(=O)OC)c1C ZINC000514405266 1059362473 /nfs/dbraw/zinc/36/24/73/1059362473.db2.gz UYFAKNMNQRUKIK-IBGZPJMESA-N 1 2 599.753 2.501 20 0 KFADLO COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C(=O)OC)c1C ZINC000514405267 1059362671 /nfs/dbraw/zinc/36/26/71/1059362671.db2.gz UYFAKNMNQRUKIK-LJQANCHMSA-N 1 2 599.753 2.501 20 0 KFADLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000514405354 1059379408 /nfs/dbraw/zinc/37/94/08/1059379408.db2.gz SYMYCMOHKMGIIO-UHFFFAOYSA-N 1 2 528.675 2.782 20 0 KFADLO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)CC2)c1 ZINC000514405431 1059423592 /nfs/dbraw/zinc/42/35/92/1059423592.db2.gz WDLNCJFHVJUMCJ-UHFFFAOYSA-N 1 2 526.659 2.509 20 0 KFADLO CCOc1cc(Br)c(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1OCC ZINC000514405774 1059420879 /nfs/dbraw/zinc/42/08/79/1059420879.db2.gz ZBRJNRVTBUKZKL-UHFFFAOYSA-N 1 2 503.401 2.815 20 0 KFADLO COc1ccc(Cl)cc1C1(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCOCC1 ZINC000521678544 1059425644 /nfs/dbraw/zinc/42/56/44/1059425644.db2.gz QNTYTFPUYUMCGH-UHFFFAOYSA-N 1 2 500.003 2.605 20 0 KFADLO