smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N([C@@H](C)CCc2ccccc2)C1=O ZINC000009089599 132335663 /nfs/dbraw/zinc/33/56/63/132335663.db2.gz XKZHFSRLQGIMQN-XDHUDOTRSA-N -1 1 405.498 3.073 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1C ZINC000009529568 132340745 /nfs/dbraw/zinc/34/07/45/132340745.db2.gz MFBDQLSILNXIDB-UHFFFAOYSA-N -1 1 424.526 3.398 50 0 HGAAMM COc1cc(OC)cc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040312561 522886588 /nfs/dbraw/zinc/88/65/88/522886588.db2.gz VPXPZYQYFHJKBI-FQEVSTJZSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC(C)C)cc2)c1C ZINC000007054821 524254253 /nfs/dbraw/zinc/25/42/53/524254253.db2.gz DTIXPDLCHJTGCM-UHFFFAOYSA-N -1 1 410.561 3.408 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3nc(C)cs3)cc2)cc1 ZINC000032882243 524690191 /nfs/dbraw/zinc/69/01/91/524690191.db2.gz WUKUDHZSSGFSNH-UHFFFAOYSA-N -1 1 417.512 3.191 50 0 HGAAMM Nc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 ZINC000032741560 527439960 /nfs/dbraw/zinc/43/99/60/527439960.db2.gz JVXAYGCCUIKYHM-HNNXBMFYSA-N -1 1 410.524 3.324 50 0 HGAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000032102494 527657054 /nfs/dbraw/zinc/65/70/54/527657054.db2.gz ULAGRRUPIPJJSS-MGPUTAFESA-N -1 1 421.453 3.343 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000001111582 557183963 /nfs/dbraw/zinc/18/39/63/557183963.db2.gz NQSVGJXSBNNJME-UHFFFAOYSA-N -1 1 424.544 3.061 50 0 HGAAMM COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000008714929 557801080 /nfs/dbraw/zinc/80/10/80/557801080.db2.gz BAVQCABNEWBSKS-UHFFFAOYSA-N -1 1 400.250 3.265 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 ZINC000010059730 557854757 /nfs/dbraw/zinc/85/47/57/557854757.db2.gz DDWLIZZRQCVAKB-UHFFFAOYSA-N -1 1 424.544 3.107 50 0 HGAAMM CC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020722467 558403435 /nfs/dbraw/zinc/40/34/35/558403435.db2.gz WWSIINVAUYZWQB-JOCHJYFZSA-N -1 1 407.470 3.037 50 0 HGAAMM CC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020722470 558403478 /nfs/dbraw/zinc/40/34/78/558403478.db2.gz WWSIINVAUYZWQB-QFIPXVFZSA-N -1 1 407.470 3.037 50 0 HGAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000013096539 558513134 /nfs/dbraw/zinc/51/31/34/558513134.db2.gz UUDVAMMLWXINRL-UHFFFAOYSA-N -1 1 408.545 3.361 50 0 HGAAMM CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000013939734 558604027 /nfs/dbraw/zinc/60/40/27/558604027.db2.gz QSPIZMFLJIKFSW-OVCLIPMQSA-N -1 1 416.817 3.196 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000014236536 558641713 /nfs/dbraw/zinc/64/17/13/558641713.db2.gz DHENCUJMWUHXSA-UHFFFAOYSA-N -1 1 412.895 3.094 50 0 HGAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000033115310 558761488 /nfs/dbraw/zinc/76/14/88/558761488.db2.gz GHWAJUDGMIDAMP-LJQANCHMSA-N -1 1 414.527 3.123 50 0 HGAAMM Cc1cnc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cn1 ZINC000033029160 558852243 /nfs/dbraw/zinc/85/22/43/558852243.db2.gz NAKKHZNYEDAAJX-UHFFFAOYSA-N -1 1 400.435 3.286 50 0 HGAAMM O=C(NCc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)no1)c1ccco1 ZINC000033122790 558879317 /nfs/dbraw/zinc/87/93/17/558879317.db2.gz VRTGEGPWGAJOLO-UHFFFAOYSA-N -1 1 424.438 3.060 50 0 HGAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC000033253996 558922148 /nfs/dbraw/zinc/92/21/48/558922148.db2.gz DHFGSGMZHQWOIZ-UHFFFAOYSA-N -1 1 419.547 3.190 50 0 HGAAMM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100077704 559125272 /nfs/dbraw/zinc/12/52/72/559125272.db2.gz KAXLLGBUNXXNSL-WBVHZDCISA-N -1 1 402.237 3.317 50 0 HGAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4cn5ccsc5n4)cc3)ccc2N1 ZINC000005166028 559281659 /nfs/dbraw/zinc/28/16/59/559281659.db2.gz VGHJDXMHSZZTKZ-UHFFFAOYSA-N -1 1 410.480 3.358 50 0 HGAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2)CC1 ZINC000005184656 559290539 /nfs/dbraw/zinc/29/05/39/559290539.db2.gz PIQQHOLQPVWVNN-UHFFFAOYSA-N -1 1 421.522 3.450 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000017327274 560709167 /nfs/dbraw/zinc/70/91/67/560709167.db2.gz YRZTXIOXGFSRJX-HZPDHXFCSA-N -1 1 418.515 3.136 50 0 HGAAMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1C ZINC000002843520 560732378 /nfs/dbraw/zinc/73/23/78/560732378.db2.gz TUSZROXCFZNXAC-UHFFFAOYSA-N -1 1 414.277 3.354 50 0 HGAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1cccnc1 ZINC000100821747 560758846 /nfs/dbraw/zinc/75/88/46/560758846.db2.gz PIDMLZYQPPLLEY-KRWDZBQOSA-N -1 1 420.494 3.462 50 0 HGAAMM CCOCCCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(C)cc4)nc-3c2c1 ZINC000101281998 560790425 /nfs/dbraw/zinc/79/04/25/560790425.db2.gz PDESBLBNPWXOMW-UHFFFAOYSA-N -1 1 404.470 3.283 50 0 HGAAMM Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c(C)c1 ZINC000051316676 560856510 /nfs/dbraw/zinc/85/65/10/560856510.db2.gz YBEXAAONPBDLNG-UHFFFAOYSA-N -1 1 405.483 3.456 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)CCc2ccc(OC)cc2)n1 ZINC000012125734 560889540 /nfs/dbraw/zinc/88/95/40/560889540.db2.gz FTFRHFBJNNDWBX-UHFFFAOYSA-N -1 1 421.501 3.365 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046074239 568426816 /nfs/dbraw/zinc/42/68/16/568426816.db2.gz OWBMQNWEXNSNAQ-CQSZACIVSA-N -1 1 400.504 3.289 50 0 HGAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2)CC(=O)N3)c1 ZINC000046074775 568426925 /nfs/dbraw/zinc/42/69/25/568426925.db2.gz TWJJNQIGAJWRBB-MRXNPFEDSA-N -1 1 420.494 3.435 50 0 HGAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075347 568426998 /nfs/dbraw/zinc/42/69/98/568426998.db2.gz GBRCLRSNEASLIM-HNNXBMFYSA-N -1 1 424.457 3.266 50 0 HGAAMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@H](n4nccc4C(F)(F)F)C3)cnc2n1 ZINC000095466769 568624355 /nfs/dbraw/zinc/62/43/55/568624355.db2.gz BFODEYMFFBGBGT-LBPRGKRZSA-N -1 1 405.380 3.336 50 0 HGAAMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](n4nccc4C(F)(F)F)C3)c[n-]c2n1 ZINC000095466769 568624358 /nfs/dbraw/zinc/62/43/58/568624358.db2.gz BFODEYMFFBGBGT-LBPRGKRZSA-N -1 1 405.380 3.336 50 0 HGAAMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccccc3Cn3cncn3)ccc2[nH]1 ZINC000095466420 568624412 /nfs/dbraw/zinc/62/44/12/568624412.db2.gz VPCXDOWPMKWSFQ-UHFFFAOYSA-N -1 1 410.503 3.301 50 0 HGAAMM CCCCCCn1c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O ZINC000020758666 568641722 /nfs/dbraw/zinc/64/17/22/568641722.db2.gz ZJYYXCXWQYQQEL-HXUWFJFHSA-N -1 1 410.518 3.271 50 0 biogenic HGAAMM COCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)ccc21 ZINC000021113111 568668498 /nfs/dbraw/zinc/66/84/98/568668498.db2.gz XCCWTBWAJADSAH-UHFFFAOYSA-N -1 1 423.922 3.168 50 0 HGAAMM CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@H]2CCO[C@@H]21 ZINC000095996438 568679197 /nfs/dbraw/zinc/67/91/97/568679197.db2.gz AQOZCTAHLRLDQE-QRVBRYPASA-N -1 1 415.515 3.422 50 0 HGAAMM COCCOc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)ccc1OC ZINC000025225739 568760190 /nfs/dbraw/zinc/76/01/90/568760190.db2.gz XEDTYACRIXSFNE-UHFFFAOYSA-N -1 1 420.516 3.342 50 0 HGAAMM CCOC(=O)C1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1 ZINC000022609524 568771811 /nfs/dbraw/zinc/77/18/11/568771811.db2.gz PUPSQWJXBNUFSD-HNNXBMFYSA-N -1 1 404.467 3.000 50 0 HGAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(SC)c2)c1OC ZINC000006008440 568835140 /nfs/dbraw/zinc/83/51/40/568835140.db2.gz YBKGAJRUMXRWMP-BQYQJAHWSA-N -1 1 409.485 3.324 50 0 HGAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3cccc(C)n3)c2)cc1 ZINC000012521151 568841724 /nfs/dbraw/zinc/84/17/24/568841724.db2.gz YAIXJOPAXASFFG-UHFFFAOYSA-N -1 1 413.455 3.157 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000012521340 568841773 /nfs/dbraw/zinc/84/17/73/568841773.db2.gz FWYSUPOAQZVVLD-HOTGVXAUSA-N -1 1 418.515 3.136 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000012537998 568846372 /nfs/dbraw/zinc/84/63/72/568846372.db2.gz FFYPSTPUIGJVEO-UHFFFAOYSA-N -1 1 411.506 3.404 50 0 HGAAMM O=C(CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1)c1ccc([O-])cc1 ZINC000012539977 568847288 /nfs/dbraw/zinc/84/72/88/568847288.db2.gz URCZMDXHNXULGI-UHFFFAOYSA-N -1 1 406.529 3.327 50 0 HGAAMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000012584069 568865552 /nfs/dbraw/zinc/86/55/52/568865552.db2.gz FWTOUHZFLZWPPK-UHFFFAOYSA-N -1 1 422.466 3.218 50 0 HGAAMM C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C[C@@H](C)O1 ZINC000003313830 568878909 /nfs/dbraw/zinc/87/89/09/568878909.db2.gz IWYQBBQYUDZNLU-ZIAGYGMSSA-N -1 1 408.907 3.390 50 0 HGAAMM CCCCOC(=O)n1c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2oc1=O ZINC000003667862 568924300 /nfs/dbraw/zinc/92/43/00/568924300.db2.gz LHKGQZMWTMWZOQ-UHFFFAOYSA-N -1 1 404.444 3.489 50 0 biogenic HGAAMM CC1(C)Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc([S-])n32)CO1 ZINC000001425824 568939130 /nfs/dbraw/zinc/93/91/30/568939130.db2.gz DZDLSEWLAUQCOB-UHFFFAOYSA-N -1 1 412.540 3.488 50 0 HGAAMM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1C ZINC000012770120 568950612 /nfs/dbraw/zinc/95/06/12/568950612.db2.gz YDLMHTWXUIDRRD-UHFFFAOYSA-N -1 1 405.476 3.111 50 0 HGAAMM O=S(=O)([N-]c1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2c(c1)OCCO2 ZINC000004249140 568954084 /nfs/dbraw/zinc/95/40/84/568954084.db2.gz MMYGBLAQAYRYBZ-UHFFFAOYSA-N -1 1 415.496 3.228 50 0 HGAAMM CNC(=O)c1ccsc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000004270368 568956587 /nfs/dbraw/zinc/95/65/87/568956587.db2.gz BJWQUXSFXGTSMI-UHFFFAOYSA-N -1 1 415.496 3.161 50 0 HGAAMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc3c2N1CCC3 ZINC000004270416 568956742 /nfs/dbraw/zinc/95/67/42/568956742.db2.gz QYOMDPFJJKMWRS-UHFFFAOYSA-N -1 1 407.289 3.085 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1 ZINC000015730721 568981396 /nfs/dbraw/zinc/98/13/96/568981396.db2.gz IAUIITXJKWHYAG-GFCCVEGCSA-N -1 1 420.512 3.344 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Nc1cc(F)ccc1F ZINC000015732601 568982803 /nfs/dbraw/zinc/98/28/03/568982803.db2.gz FQWYVJLHQVRWEA-UHFFFAOYSA-N -1 1 413.409 3.094 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(C)=O)nc3c2)cc1OC ZINC000015870107 569017156 /nfs/dbraw/zinc/01/71/56/569017156.db2.gz CTABQYBNHULVSY-UHFFFAOYSA-N -1 1 407.473 3.073 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1F ZINC000035588281 569046193 /nfs/dbraw/zinc/04/61/93/569046193.db2.gz KKDHEJFUMVCNGP-UHFFFAOYSA-N -1 1 408.495 3.424 50 0 HGAAMM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000245239873 569055286 /nfs/dbraw/zinc/05/52/86/569055286.db2.gz GIRNNZHTRKWVQL-HBMCJLEFSA-N -1 1 414.417 3.436 50 0 HGAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O 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RQSOJUMPAAJSAD-UHFFFAOYSA-N -1 1 404.513 3.199 50 0 HGAAMM COc1c(F)cc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000170623105 569249655 /nfs/dbraw/zinc/24/96/55/569249655.db2.gz KESFZIFOGAVMKI-UHFFFAOYSA-N -1 1 404.213 3.096 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2C[C@@H](c3ccccc3C)OC[C@@H]2C)c(=O)[n-]1 ZINC000170640516 569282960 /nfs/dbraw/zinc/28/29/60/569282960.db2.gz PTZPGHOEEHOTRF-KSSFIOAISA-N -1 1 401.532 3.030 50 0 HGAAMM CCOC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)cc(=O)[n-]2)cc1 ZINC000001432421 571044454 /nfs/dbraw/zinc/04/44/54/571044454.db2.gz PJXSZLIMIJJLCR-UHFFFAOYSA-N -1 1 423.494 3.268 50 0 HGAAMM COC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067298572 571072585 /nfs/dbraw/zinc/07/25/85/571072585.db2.gz OXJSPOHSQSDZPP-FGGSVNHKSA-N -1 1 422.437 3.066 50 0 HGAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2CCC1=O ZINC000008840538 571123282 /nfs/dbraw/zinc/12/32/82/571123282.db2.gz FSPSXOFUPFSZFY-UHFFFAOYSA-N -1 1 404.488 3.194 50 0 HGAAMM 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UOMOCTVTEZOYQJ-UHFFFAOYSA-N -1 1 403.410 3.091 50 0 HGAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)N1CCCC1 ZINC000012526398 568843271 /nfs/dbraw/zinc/84/32/71/568843271.db2.gz KOWMBVAFLVUTIC-UHFFFAOYSA-N -1 1 409.305 3.486 50 0 HGAAMM CCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C ZINC000012536281 568845841 /nfs/dbraw/zinc/84/58/41/568845841.db2.gz IWZBEIARAFBOSQ-UHFFFAOYSA-N -1 1 401.488 3.271 50 0 HGAAMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000012733865 568924070 /nfs/dbraw/zinc/92/40/70/568924070.db2.gz RLGCQWQARHJNAK-UHFFFAOYSA-N -1 1 400.378 3.278 50 0 HGAAMM COc1ccc(CCNC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc1OC ZINC000004084509 568939928 /nfs/dbraw/zinc/93/99/28/568939928.db2.gz LBBJYGWZKHOVSB-UHFFFAOYSA-N -1 1 411.454 3.116 50 0 biogenic HGAAMM CCCCc1nnc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(OC)cc2)s1 ZINC000012753097 568941728 /nfs/dbraw/zinc/94/17/28/568941728.db2.gz UQCJDNDJQUCOTF-UHFFFAOYSA-N -1 1 404.521 3.449 50 0 HGAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc3c2N1CCC3 ZINC000004270337 568956577 /nfs/dbraw/zinc/95/65/77/568956577.db2.gz FKPDTEUEOHSGCF-UHFFFAOYSA-N -1 1 412.389 3.221 50 0 HGAAMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N1CCCCCCC1 ZINC000035397608 569034991 /nfs/dbraw/zinc/03/49/91/569034991.db2.gz QHPZZVLKBZRIDG-UHFFFAOYSA-N -1 1 407.467 3.490 50 0 HGAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@H]3c1cnn(C)c1 ZINC000524729414 569051531 /nfs/dbraw/zinc/05/15/31/569051531.db2.gz SRQOOPJNGAIMIA-AWEZNQCLSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(OC)cc4)c3[n-]2)C1 ZINC000064611586 569074435 /nfs/dbraw/zinc/07/44/35/569074435.db2.gz WPXUQQOVEQEIRZ-CQSZACIVSA-N -1 1 413.499 3.440 50 0 HGAAMM COc1ccccc1CN(C(=O)c1ccccc1F)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791904 569095748 /nfs/dbraw/zinc/09/57/48/569095748.db2.gz KREZBXXCCCDADQ-UHFFFAOYSA-N -1 1 421.432 3.029 50 0 HGAAMM CC[C@H]1Sc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2NC1=O ZINC000006867638 569160063 /nfs/dbraw/zinc/16/00/63/569160063.db2.gz PXCMUMJFHSCIMU-MRXNPFEDSA-N -1 1 408.501 3.327 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 ZINC000006887648 569170725 /nfs/dbraw/zinc/17/07/25/569170725.db2.gz QHOTYKVXNHABQM-UHFFFAOYSA-N -1 1 406.485 3.098 50 0 HGAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc21)N1CCCCC1 ZINC000065115262 569179289 /nfs/dbraw/zinc/17/92/89/569179289.db2.gz YODCVTZOOPTSPZ-UHFFFAOYSA-N -1 1 403.435 3.394 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)n1 ZINC000007420269 569237431 /nfs/dbraw/zinc/23/74/31/569237431.db2.gz FCQSXKRUDKJIOT-UHFFFAOYSA-N -1 1 416.279 3.231 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000007420311 569237447 /nfs/dbraw/zinc/23/74/47/569237447.db2.gz QJYIRZMYMJFGEE-UHFFFAOYSA-N -1 1 405.380 3.488 50 0 HGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C(F)(F)F)cc2)[n-]c1=O ZINC000007421983 569237613 /nfs/dbraw/zinc/23/76/13/569237613.db2.gz VUWDIVPLLWMYEG-UHFFFAOYSA-N -1 1 405.380 3.406 50 0 HGAAMM CCS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)nn1 ZINC000007428168 569238595 /nfs/dbraw/zinc/23/85/95/569238595.db2.gz IIHSRLHNKOIDEP-UHFFFAOYSA-N -1 1 417.512 3.046 50 0 HGAAMM O=C(c1ccc(Cl)cc1[O-])N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000089800080 569266138 /nfs/dbraw/zinc/26/61/38/569266138.db2.gz GSHARKGDHOUCDG-UHFFFAOYSA-N -1 1 404.879 3.115 50 0 HGAAMM CC(C)CCNC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291509 571067333 /nfs/dbraw/zinc/06/73/33/571067333.db2.gz RPDWJUXSQWRBPI-UHFFFAOYSA-N -1 1 418.538 3.134 50 0 HGAAMM COC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067298556 571072625 /nfs/dbraw/zinc/07/26/25/571072625.db2.gz HVBXTZGEOIYYII-FGGSVNHKSA-N -1 1 422.437 3.066 50 0 HGAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2ccccc2C)c1=O ZINC000008994699 571208483 /nfs/dbraw/zinc/20/84/83/571208483.db2.gz DQYDWGPNRNFYTM-NRFANRHFSA-N -1 1 416.481 3.401 50 0 biogenic HGAAMM Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009217055 571237585 /nfs/dbraw/zinc/23/75/85/571237585.db2.gz HYQYOXOVPNEEGU-UHFFFAOYSA-N -1 1 417.874 3.390 50 0 HGAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCCn2ccnc2)ccc1C ZINC000009356306 571251134 /nfs/dbraw/zinc/25/11/34/571251134.db2.gz PXVLDGWXJMEDTB-UHFFFAOYSA-N -1 1 412.515 3.121 50 0 HGAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000009708639 571281027 /nfs/dbraw/zinc/28/10/27/571281027.db2.gz IAGKPMHIHVKCTM-UHFFFAOYSA-N -1 1 421.316 3.394 50 0 HGAAMM Cc1cc([O-])c2c(C)c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000008993611 132334657 /nfs/dbraw/zinc/33/46/57/132334657.db2.gz YMYDQKITWOFRRG-UHFFFAOYSA-N -1 1 410.445 3.146 50 0 HGAAMM COc1ccccc1N1CCN(C(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000012553411 132363221 /nfs/dbraw/zinc/36/32/21/132363221.db2.gz ORJHUXHSFCYSQO-UHFFFAOYSA-N -1 1 423.542 3.274 50 0 HGAAMM COc1cc(OC)cc([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040312558 522881884 /nfs/dbraw/zinc/88/18/84/522881884.db2.gz VPXPZYQYFHJKBI-HXUWFJFHSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM COc1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000021911133 526178560 /nfs/dbraw/zinc/17/85/60/526178560.db2.gz XQJZJJSMBUSZEH-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM Cn1ccnc1CC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000040640817 527429081 /nfs/dbraw/zinc/42/90/81/527429081.db2.gz JTHDWQLDMVLLEU-UHFFFAOYSA-N -1 1 413.124 3.010 50 0 HGAAMM O=C(NCc1ccccn1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000000631184 557026731 /nfs/dbraw/zinc/02/67/31/557026731.db2.gz ZYZNEHYGQAMMTP-UHFFFAOYSA-N -1 1 401.875 3.466 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 ZINC000010556755 557542320 /nfs/dbraw/zinc/54/23/20/557542320.db2.gz JVQKOHVEWGSXLK-HNNXBMFYSA-N -1 1 411.483 3.382 50 0 HGAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1)N1CCCCC1 ZINC000006701845 557716130 /nfs/dbraw/zinc/71/61/30/557716130.db2.gz LZUGOINJINPNNU-UHFFFAOYSA-N -1 1 417.487 3.276 50 0 HGAAMM COCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 ZINC000022688598 557779580 /nfs/dbraw/zinc/77/95/80/557779580.db2.gz UADKSAVGWJMQMM-UHFFFAOYSA-N -1 1 408.907 3.375 50 0 HGAAMM COC(=O)[C@@]([N-]c1nc(C)cs1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000009348495 557838309 /nfs/dbraw/zinc/83/83/09/557838309.db2.gz LUJFWTUTMYVNJS-AWEZNQCLSA-N -1 1 407.801 3.378 50 0 HGAAMM Nc1cc(=O)[n-]c(S[C@@H](C(=O)NCCc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000010861778 558261405 /nfs/dbraw/zinc/26/14/05/558261405.db2.gz FSEGOGGFGYDNJY-GOSISDBHSA-N -1 1 414.918 3.198 50 0 HGAAMM O=c1[nH]c2cc(Br)c([N-]S(=O)(=O)c3ccc(Cl)s3)cc2[nH]1 ZINC000020110807 558335663 /nfs/dbraw/zinc/33/56/63/558335663.db2.gz LGXVBDLGDSRIML-UHFFFAOYSA-N -1 1 408.686 3.134 50 0 HGAAMM NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000021873988 558453346 /nfs/dbraw/zinc/45/33/46/558453346.db2.gz SQXORTGTHGZWSB-UHFFFAOYSA-N -1 1 405.451 3.014 50 0 HGAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Oc3ccccc3C)n2)cc1 ZINC000021885432 558453958 /nfs/dbraw/zinc/45/39/58/558453958.db2.gz APFQNJJYVULJHU-UHFFFAOYSA-N -1 1 422.466 3.099 50 0 HGAAMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2s1 ZINC000022903072 558519477 /nfs/dbraw/zinc/51/94/77/558519477.db2.gz VYDKPMOBKADBIM-UHFFFAOYSA-N -1 1 407.498 3.264 50 0 HGAAMM O=C1[N-]C(=O)C(CCc2ccncc2)(Cc2cccc(Oc3ccccc3)c2)C(=O)N1 ZINC000013281921 558528906 /nfs/dbraw/zinc/52/89/06/558528906.db2.gz RUVCFHZFDKGHLC-UHFFFAOYSA-N -1 1 415.449 3.402 50 0 HGAAMM CC(=O)N[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)cc1 ZINC000023036997 558530988 /nfs/dbraw/zinc/53/09/88/558530988.db2.gz NDNZFXFLKUSBJD-GOSISDBHSA-N -1 1 415.829 3.463 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)n1 ZINC000025039974 558627525 /nfs/dbraw/zinc/62/75/25/558627525.db2.gz NMNPLGCJVPAIEN-UHFFFAOYSA-N -1 1 401.488 3.495 50 0 HGAAMM NC(=O)Nc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000026353758 558659438 /nfs/dbraw/zinc/65/94/38/558659438.db2.gz YVZLFGUMTXYAQV-UHFFFAOYSA-N -1 1 410.455 3.230 50 0 HGAAMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)cc1 ZINC000026541412 558662984 /nfs/dbraw/zinc/66/29/84/558662984.db2.gz MNZMFMBEPUWERV-UHFFFAOYSA-N -1 1 412.471 3.167 50 0 HGAAMM CC(C)(C)C(=O)NCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030121552 558727191 /nfs/dbraw/zinc/72/71/91/558727191.db2.gz TXVQQXPMOYQWJL-UHFFFAOYSA-N -1 1 423.922 3.242 50 0 HGAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000023157348 559022281 /nfs/dbraw/zinc/02/22/81/559022281.db2.gz IGVWYKZISHMJAE-INIZCTEOSA-N -1 1 418.494 3.308 50 0 HGAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000011387267 559069955 /nfs/dbraw/zinc/06/99/55/559069955.db2.gz PFKCVPPAEIIERW-UHFFFAOYSA-N -1 1 401.846 3.270 50 0 HGAAMM COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095963226 559089452 /nfs/dbraw/zinc/08/94/52/559089452.db2.gz QWCBPSMSCQYURA-UHFFFAOYSA-N -1 1 400.250 3.265 50 0 HGAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)C=Cc2ccccc2)[n-]c(=O)c1C ZINC000012008266 559271141 /nfs/dbraw/zinc/27/11/41/559271141.db2.gz JUVFUAHLSSHRDY-KHPPLWFESA-N -1 1 401.426 3.484 50 0 HGAAMM CSc1nc(=O)c2sc3nc(N4CCOCC4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000017181104 560703072 /nfs/dbraw/zinc/70/30/72/560703072.db2.gz VDIVYQIYGCAZBB-UHFFFAOYSA-N -1 1 418.544 3.355 50 0 HGAAMM CCC(=O)N(Cc1ccccc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861043 560852434 /nfs/dbraw/zinc/85/24/34/560852434.db2.gz QLJBTJQZOBMQCJ-UHFFFAOYSA-N -1 1 401.470 3.260 50 0 HGAAMM CN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000051316700 560856428 /nfs/dbraw/zinc/85/64/28/560856428.db2.gz YOBQIFNIYAKHJW-UHFFFAOYSA-N -1 1 409.446 3.003 50 0 HGAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000012123323 560889459 /nfs/dbraw/zinc/88/94/59/560889459.db2.gz SLPSXFPKGWPQHJ-UHFFFAOYSA-N -1 1 403.364 3.413 50 0 HGAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 ZINC000012123460 560889465 /nfs/dbraw/zinc/88/94/65/560889465.db2.gz KKGYKPLDAWQOLN-UHFFFAOYSA-N -1 1 407.474 3.282 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 ZINC000012125827 560889608 /nfs/dbraw/zinc/88/96/08/560889608.db2.gz BCIPWXGSEWFRKE-UHFFFAOYSA-N -1 1 420.429 3.286 50 0 HGAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075240 568427056 /nfs/dbraw/zinc/42/70/56/568427056.db2.gz XSVYGTAGCMWZOI-AWEZNQCLSA-N -1 1 424.457 3.266 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1NC(=O)c1cccnc1 ZINC000048312549 568439024 /nfs/dbraw/zinc/43/90/24/568439024.db2.gz YDARBBTULSMXOU-UHFFFAOYSA-N -1 1 401.419 3.282 50 0 HGAAMM CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1 ZINC000049421323 568450614 /nfs/dbraw/zinc/45/06/14/568450614.db2.gz NBZATXAXNCJYSH-AWEZNQCLSA-N -1 1 412.515 3.013 50 0 HGAAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000021133181 568670448 /nfs/dbraw/zinc/67/04/48/568670448.db2.gz KGIHXZQYNFNHMM-LBPRGKRZSA-N -1 1 422.721 3.306 50 0 HGAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc2c(c1)OCO2 ZINC000096114084 568693673 /nfs/dbraw/zinc/69/36/73/568693673.db2.gz BNHRFWBWCOFXTQ-MRXNPFEDSA-N -1 1 410.426 3.138 50 0 biogenic HGAAMM CNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[n-]c1=O ZINC000096316189 568725674 /nfs/dbraw/zinc/72/56/74/568725674.db2.gz OCTLJPZLZPLIES-KTKRTIGZSA-N -1 1 408.845 3.206 50 0 HGAAMM O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938084 568752056 /nfs/dbraw/zinc/75/20/56/568752056.db2.gz MVBAHBIPDDTVQY-RXMQYKEDSA-N -1 1 423.039 3.315 50 0 HGAAMM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000021756769 568752161 /nfs/dbraw/zinc/75/21/61/568752161.db2.gz JXOVLPWAIVWDTN-UHFFFAOYSA-N -1 1 412.870 3.206 50 0 HGAAMM O=C(Cn1c2ccccc2c2c1CCCC2)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002788841 568809132 /nfs/dbraw/zinc/80/91/32/568809132.db2.gz LBWIGEIRQAQXKC-UHFFFAOYSA-N -1 1 404.495 3.289 50 0 HGAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000012507947 568839860 /nfs/dbraw/zinc/83/98/60/568839860.db2.gz ZGOAXMJHDRLGJZ-UHFFFAOYSA-N -1 1 421.327 3.235 50 0 HGAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1F ZINC000012521338 568841907 /nfs/dbraw/zinc/84/19/07/568841907.db2.gz VQIWMQZGQCFWCH-GJZGRUSLSA-N -1 1 406.479 3.184 50 0 HGAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1C ZINC000012560813 568858070 /nfs/dbraw/zinc/85/80/70/568858070.db2.gz GTGRWZBYRJDNHH-UHFFFAOYSA-N -1 1 422.572 3.470 50 0 HGAAMM CCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000057681488 568858228 /nfs/dbraw/zinc/85/82/28/568858228.db2.gz FZHFOTYGGWUWKB-MRXNPFEDSA-N -1 1 416.547 3.027 50 0 HGAAMM CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000012773087 568952613 /nfs/dbraw/zinc/95/26/13/568952613.db2.gz SXJOWZFBXGZDFV-UHFFFAOYSA-N -1 1 410.561 3.328 50 0 HGAAMM Cc1ccc([C@@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=N2)cc1 ZINC000038161730 568974023 /nfs/dbraw/zinc/97/40/23/568974023.db2.gz QFBRPESVYFHLCU-RBUKOAKNSA-N -1 1 419.485 3.084 50 0 HGAAMM CC(=O)c1sc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)nc1C ZINC000011902988 568987091 /nfs/dbraw/zinc/98/70/91/568987091.db2.gz AGULYDFVMFCNPF-UHFFFAOYSA-N -1 1 400.485 3.135 50 0 HGAAMM CCCCNC(=O)n1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2oc1=O ZINC000001815889 569056114 /nfs/dbraw/zinc/05/61/14/569056114.db2.gz WPGLLGFUNMWMML-UHFFFAOYSA-N -1 1 403.460 3.062 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)N1CCCCC1 ZINC000004943984 569071654 /nfs/dbraw/zinc/07/16/54/569071654.db2.gz YOGWCYQPHATMAQ-UHFFFAOYSA-N -1 1 402.472 3.151 50 0 HGAAMM CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nccs1 ZINC000007061361 569215359 /nfs/dbraw/zinc/21/53/59/569215359.db2.gz HUSFGLAGNQCVFN-LLVKDONJSA-N -1 1 408.332 3.392 50 0 HGAAMM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065318891 569221908 /nfs/dbraw/zinc/22/19/08/569221908.db2.gz QXOXDMHEQXCKAO-UHFFFAOYSA-N -1 1 412.471 3.082 50 0 HGAAMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000007423506 569237823 /nfs/dbraw/zinc/23/78/23/569237823.db2.gz KLKRVQCJLABUOR-UHFFFAOYSA-N -1 1 402.925 3.219 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 ZINC000014240545 569259173 /nfs/dbraw/zinc/25/91/73/569259173.db2.gz VLSCCZIHNMFAES-UHFFFAOYSA-N -1 1 424.530 3.177 50 0 HGAAMM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cnc(Cl)cc1Cl ZINC000089773340 569263647 /nfs/dbraw/zinc/26/36/47/569263647.db2.gz LJRGATYLZRCMAQ-UHFFFAOYSA-N -1 1 416.208 3.203 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000016839902 569264365 /nfs/dbraw/zinc/26/43/65/569264365.db2.gz PUYZYCAZOOXGNH-UHFFFAOYSA-N -1 1 422.462 3.292 50 0 HGAAMM CCOc1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)c(C)c(=O)[n-]3)c2C)cc1 ZINC000016981136 569270260 /nfs/dbraw/zinc/27/02/60/569270260.db2.gz WIKFXNOCOJJSHQ-UHFFFAOYSA-N -1 1 409.490 3.159 50 0 HGAAMM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000136041763 569359247 /nfs/dbraw/zinc/35/92/47/569359247.db2.gz GIRNNZHTRKWVQL-NJYVYQBISA-N -1 1 414.417 3.436 50 0 HGAAMM NC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccccn2)cc1 ZINC000067293254 571069025 /nfs/dbraw/zinc/06/90/25/571069025.db2.gz DAMLXXWLNKPOHC-LVWGJNHUSA-N -1 1 400.394 3.117 50 0 HGAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067298542 571072503 /nfs/dbraw/zinc/07/25/03/571072503.db2.gz YZRWBFFETVBCNT-KZIRDTCISA-N -1 1 422.437 3.051 50 0 HGAAMM Cc1c(CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc([O-])c12 ZINC000008764571 571115094 /nfs/dbraw/zinc/11/50/94/571115094.db2.gz WEKDSHIEBDHNIT-LBPRGKRZSA-N -1 1 406.438 3.284 50 0 biogenic HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1Cl ZINC000008977416 571198181 /nfs/dbraw/zinc/19/81/81/571198181.db2.gz XXWQQKMYHSMWFY-UHFFFAOYSA-N -1 1 420.918 3.444 50 0 HGAAMM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)n1C ZINC000009684957 571279749 /nfs/dbraw/zinc/27/97/49/571279749.db2.gz WFXYIUOLXUPZFS-UHFFFAOYSA-N -1 1 411.474 3.347 50 0 HGAAMM CC[C@H](C)N1C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)[N-]C1=S ZINC000008738504 132332783 /nfs/dbraw/zinc/33/27/83/132332783.db2.gz STQPTDBQPUDKPZ-BXJCWQANSA-N -1 1 405.951 3.283 50 0 HGAAMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2o1 ZINC000032097518 519105031 /nfs/dbraw/zinc/10/50/31/519105031.db2.gz IOBNCWKZKAHGGU-UHFFFAOYSA-N -1 1 401.444 3.257 50 0 HGAAMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000032095569 520807555 /nfs/dbraw/zinc/80/75/55/520807555.db2.gz VIKYGLVVTGFPFQ-UHFFFAOYSA-N -1 1 414.277 3.192 50 0 HGAAMM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCCO2 ZINC000032855678 522451570 /nfs/dbraw/zinc/45/15/70/522451570.db2.gz CTLRMODBUXOOQJ-UHFFFAOYSA-N -1 1 403.865 3.150 50 0 HGAAMM COc1ccc(OC)c([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040313134 524920368 /nfs/dbraw/zinc/92/03/68/524920368.db2.gz JZRIJJNAZWFKRE-FQEVSTJZSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM Cn1c(Cc2csc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n2)n[n-]c1=S ZINC000032787104 527067277 /nfs/dbraw/zinc/06/72/77/527067277.db2.gz BNWCCDZAVWMOAW-LBPRGKRZSA-N -1 1 407.908 3.121 50 0 HGAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC000000631096 557026771 /nfs/dbraw/zinc/02/67/71/557026771.db2.gz LGQXICVPRAPTPO-UHFFFAOYSA-N -1 1 410.495 3.469 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000001196818 557237971 /nfs/dbraw/zinc/23/79/71/557237971.db2.gz MVYOPWVNTSXBFM-UHFFFAOYSA-N -1 1 403.481 3.329 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)cc1 ZINC000010274250 557266028 /nfs/dbraw/zinc/26/60/28/557266028.db2.gz HLIDRFUVTQDXDX-UHFFFAOYSA-N -1 1 400.456 3.122 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cccnc1)C(C(=O)OCC)=C(C)N2 ZINC000008346037 557782936 /nfs/dbraw/zinc/78/29/36/557782936.db2.gz BUKYRDQQXOOKDD-OAHLLOKOSA-N -1 1 400.504 3.452 50 0 HGAAMM Nc1cc(=O)[n-]c(S[C@H](C(=O)NCCc2ccc(Cl)cc2)c2ccccc2)n1 ZINC000010861776 558261418 /nfs/dbraw/zinc/26/14/18/558261418.db2.gz FSEGOGGFGYDNJY-SFHVURJKSA-N -1 1 414.918 3.198 50 0 HGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013626927 558551279 /nfs/dbraw/zinc/55/12/79/558551279.db2.gz IVHIWLZQASHBNE-UHFFFAOYSA-N -1 1 404.426 3.018 50 0 HGAAMM COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013943817 558605558 /nfs/dbraw/zinc/60/55/58/558605558.db2.gz KNVDZKUARCPDPN-FRKPEAEDSA-N -1 1 412.511 3.162 50 0 HGAAMM COc1ccc(NC(=O)c2cc(F)ccc2Br)cc1[N-]S(C)(=O)=O ZINC000029817787 558721735 /nfs/dbraw/zinc/72/17/35/558721735.db2.gz FYZCGXPXLHGGJU-UHFFFAOYSA-N -1 1 417.256 3.221 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCc2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)n1 ZINC000015587242 558745120 /nfs/dbraw/zinc/74/51/20/558745120.db2.gz GYBQKVAIPIYUTD-SNVBAGLBSA-N -1 1 402.545 3.438 50 0 HGAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c1 ZINC000033115321 558761586 /nfs/dbraw/zinc/76/15/86/558761586.db2.gz DBADVHVGPNYMIK-IBGZPJMESA-N -1 1 414.527 3.123 50 0 HGAAMM COc1ccc(C2=NOC3=C([O-])N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1OC ZINC000016010384 558766431 /nfs/dbraw/zinc/76/64/31/558766431.db2.gz FIZFELCGKLUBJV-RDJZCZTQSA-N -1 1 420.343 3.015 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000016650953 558798093 /nfs/dbraw/zinc/79/80/93/558798093.db2.gz FQBRZYSZDGIFNZ-VQTJNVASSA-N -1 1 402.516 3.171 50 0 HGAAMM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCc3ccccc32)n1 ZINC000039383698 558820614 /nfs/dbraw/zinc/82/06/14/558820614.db2.gz FIJZLLNVBIDCJJ-UHFFFAOYSA-N -1 1 402.502 3.466 50 0 HGAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2s1 ZINC000033298975 559048236 /nfs/dbraw/zinc/04/82/36/559048236.db2.gz JYMAANLYMURFMK-UHFFFAOYSA-N -1 1 422.553 3.379 50 0 HGAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1 ZINC000100668390 559251359 /nfs/dbraw/zinc/25/13/59/559251359.db2.gz UPGCEOUJBIHTMY-GGAORHGYSA-N -1 1 423.472 3.213 50 0 HGAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc21 ZINC000017247947 560704795 /nfs/dbraw/zinc/70/47/95/560704795.db2.gz TVJMSUZAXNCPRE-UHFFFAOYSA-N -1 1 404.488 3.194 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1F ZINC000017304492 560707269 /nfs/dbraw/zinc/70/72/69/560707269.db2.gz YNDOLFINCOVUOB-UHFFFAOYSA-N -1 1 424.457 3.485 50 0 HGAAMM COCCCNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(C)c(C)c4)nc-3c2c1 ZINC000101828017 560802614 /nfs/dbraw/zinc/80/26/14/560802614.db2.gz OKPXKEJSYUPZPV-UHFFFAOYSA-N -1 1 404.470 3.202 50 0 HGAAMM CCN(CC)C(=O)CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1 ZINC000102928821 560834729 /nfs/dbraw/zinc/83/47/29/560834729.db2.gz AELIZVYXMIZCNY-UHFFFAOYSA-N -1 1 423.538 3.489 50 0 HGAAMM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@@H]23)c1 ZINC000102896567 560834853 /nfs/dbraw/zinc/83/48/53/560834853.db2.gz WGXAYLOIOLKDDP-PZJWPPBQSA-N -1 1 402.406 3.150 50 0 HGAAMM COc1ccc(-n2nc3c4cc(C(=O)NCc5ccco5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281790 560851643 /nfs/dbraw/zinc/85/16/43/560851643.db2.gz IZJRPNBEDDBRFQ-UHFFFAOYSA-N -1 1 414.421 3.350 50 0 HGAAMM Cc1ccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CC4)C2)nc3=O)cc1 ZINC000049421254 568450493 /nfs/dbraw/zinc/45/04/93/568450493.db2.gz VXBUSMAMGFHAST-HNNXBMFYSA-N -1 1 408.527 3.455 50 0 HGAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@@H](C(=O)NC3CC3)C1)nc2=O ZINC000049421418 568450618 /nfs/dbraw/zinc/45/06/18/568450618.db2.gz IJBGQVLBDUGRMT-CQSZACIVSA-N -1 1 408.527 3.455 50 0 HGAAMM CCn1cc(-c2n[n-]c(=S)n2-c2cc(OC)ccc2OC)c(=O)c2ccc(C)nc21 ZINC000000810629 568491521 /nfs/dbraw/zinc/49/15/21/568491521.db2.gz KFTBKWSHNNOKQM-UHFFFAOYSA-N -1 1 423.498 3.278 50 0 HGAAMM C[C@H]1C[C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCO1 ZINC000095457889 568618759 /nfs/dbraw/zinc/61/87/59/568618759.db2.gz MZDQYVCWXVVXEI-LSDHHAIUSA-N -1 1 406.479 3.171 50 0 HGAAMM Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1 ZINC000096114284 568693907 /nfs/dbraw/zinc/69/39/07/568693907.db2.gz 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CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000012695597 568916182 /nfs/dbraw/zinc/91/61/82/568916182.db2.gz GBQQKALOIJTGME-UHFFFAOYSA-N -1 1 422.359 3.468 50 0 HGAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc3c2N1CCC3 ZINC000004270324 568956627 /nfs/dbraw/zinc/95/66/27/568956627.db2.gz MUDGBILIHRBKMI-UHFFFAOYSA-N -1 1 407.289 3.085 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1Cl ZINC000015669333 568960995 /nfs/dbraw/zinc/96/09/95/568960995.db2.gz JMRDELSDJZINBV-UHFFFAOYSA-N -1 1 405.863 3.208 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21)Nc1ccccc1 ZINC000015732547 568982417 /nfs/dbraw/zinc/98/24/17/568982417.db2.gz MYBMVZDCHYJION-UHFFFAOYSA-N -1 1 411.874 3.469 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cccs2)c1 ZINC000012886612 569019545 /nfs/dbraw/zinc/01/95/45/569019545.db2.gz USJBZJWUKFMNAZ-UHFFFAOYSA-N -1 1 410.517 3.086 50 0 HGAAMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1[O-] ZINC000012911798 569021735 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50 0 HGAAMM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1c(Cl)cc(OC)cc1OC ZINC000006998635 569196592 /nfs/dbraw/zinc/19/65/92/569196592.db2.gz KFWVVHZNWLNHBH-UHFFFAOYSA-N -1 1 416.883 3.280 50 0 HGAAMM CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000007054505 569214415 /nfs/dbraw/zinc/21/44/15/569214415.db2.gz QJPBCYPAQCNOCT-UHFFFAOYSA-N -1 1 400.497 3.047 50 0 HGAAMM Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1C(=O)N1CCCC1 ZINC000065293708 569218446 /nfs/dbraw/zinc/21/84/46/569218446.db2.gz SCDWSKRWRGRXBP-UHFFFAOYSA-N -1 1 418.302 3.004 50 0 HGAAMM COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(-c2nc(C)cc(=O)[n-]2)c1C ZINC000016849699 569265696 /nfs/dbraw/zinc/26/56/96/569265696.db2.gz GLSRLTPZRBUSQP-UHFFFAOYSA-N -1 1 415.881 3.114 50 0 HGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000016981076 569270267 /nfs/dbraw/zinc/27/02/67/569270267.db2.gz KEIMUSHWWJYCAI-HNNXBMFYSA-N -1 1 421.545 3.259 50 0 HGAAMM COC(=O)CN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C 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CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)c4ccccc4)cc3)cc21 ZINC000008783514 536315159 /nfs/dbraw/zinc/31/51/59/536315159.db2.gz GDJNVIZEQLRBRM-UHFFFAOYSA-N -1 1 422.462 3.074 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)c1 ZINC000001073206 557171238 /nfs/dbraw/zinc/17/12/38/557171238.db2.gz DNQLCPNQDKJNSN-UHFFFAOYSA-N -1 1 419.240 3.109 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1OC ZINC000004756183 557594183 /nfs/dbraw/zinc/59/41/83/557594183.db2.gz RBZPUYKIPBVESF-UHFFFAOYSA-N -1 1 410.455 3.214 50 0 HGAAMM COC(=O)c1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000004999483 557623375 /nfs/dbraw/zinc/62/33/75/557623375.db2.gz NEFGTBISDNWISP-ZDUSSCGKSA-N -1 1 409.467 3.343 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nccs3)c2)cc1 ZINC000006196230 557693768 /nfs/dbraw/zinc/69/37/68/557693768.db2.gz QBPZPYOONBRADR-UHFFFAOYSA-N -1 1 416.484 3.155 50 0 HGAAMM CCOC(=O)c1sc([N-]c2c(Cl)cc(S(N)(=O)=O)cc2Cl)nc1C ZINC000002348658 557696552 /nfs/dbraw/zinc/69/65/52/557696552.db2.gz JMGSBZKUBXYCAK-UHFFFAOYSA-N -1 1 410.304 3.326 50 0 HGAAMM COc1ccc(-c2n[nH]c(NC(=O)Cc3c(C)c4c([O-])cc(C)cc4oc3=O)n2)cc1 ZINC000009418586 557841799 /nfs/dbraw/zinc/84/17/99/557841799.db2.gz MSGQUPOJGTUGLO-UHFFFAOYSA-N -1 1 420.425 3.090 50 0 HGAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccc(C(C)=O)cc4)CC3)c2c1 ZINC000020733605 558407289 /nfs/dbraw/zinc/40/72/89/558407289.db2.gz ISXICCACJCIDDY-QFIPXVFZSA-N -1 1 407.470 3.327 50 0 HGAAMM O=C(Nn1cnc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000012628238 558440562 /nfs/dbraw/zinc/44/05/62/558440562.db2.gz ZDGXASXCWCXSAV-UHFFFAOYSA-N -1 1 410.430 3.360 50 0 HGAAMM CCc1cc2c(COC(=O)[C@H](C)NC(=O)c3cccc(C)c3)cc(=O)oc2cc1[O-] ZINC000013063226 558510548 /nfs/dbraw/zinc/51/05/48/558510548.db2.gz OQMYRBWCRHVKBB-AWEZNQCLSA-N -1 1 409.438 3.231 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)n1 ZINC000015587240 558745154 /nfs/dbraw/zinc/74/51/54/558745154.db2.gz GYBQKVAIPIYUTD-JTQLQIEISA-N -1 1 402.545 3.438 50 0 HGAAMM O=c1cc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCC4)[n-][nH]1 ZINC000002875776 558779582 /nfs/dbraw/zinc/77/95/82/558779582.db2.gz INKWBQGKGAVBFX-UHFFFAOYSA-N -1 1 400.485 3.309 50 0 HGAAMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000072310169 558781032 /nfs/dbraw/zinc/78/10/32/558781032.db2.gz WTUWISXJKWVNFV-UHFFFAOYSA-N -1 1 405.520 3.167 50 0 HGAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000017296854 558826590 /nfs/dbraw/zinc/82/65/90/558826590.db2.gz JKCITCZQIFAOKA-OAHLLOKOSA-N -1 1 400.504 3.308 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(C)=O)nc3c(C)c2)cc1OC ZINC000033007772 558828641 /nfs/dbraw/zinc/82/86/41/558828641.db2.gz RVHHYQYUAMTVQV-UHFFFAOYSA-N -1 1 421.500 3.381 50 0 HGAAMM O=C(NCCc1ccccc1)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004679533 558890653 /nfs/dbraw/zinc/89/06/53/558890653.db2.gz JCMAAJFVVGXMFP-HXUWFJFHSA-N -1 1 412.848 3.424 50 0 HGAAMM O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023055394 558994738 /nfs/dbraw/zinc/99/47/38/558994738.db2.gz WCADBRYDRMXQAR-SFHVURJKSA-N -1 1 424.478 3.057 50 0 HGAAMM COc1ccccc1CNC(=O)Cc1cc(=O)[n-]c(SCc2ccccc2F)n1 ZINC000023138406 559019741 /nfs/dbraw/zinc/01/97/41/559019741.db2.gz ATYFUKZLDZLETH-UHFFFAOYSA-N -1 1 413.474 3.481 50 0 HGAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000023157466 559022396 /nfs/dbraw/zinc/02/23/96/559022396.db2.gz PHNHPXURGLYWDY-INIZCTEOSA-N -1 1 418.494 3.308 50 0 HGAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)Nc1ccc2c(c1)OCO2 ZINC000023243032 559064965 /nfs/dbraw/zinc/06/49/65/559064965.db2.gz IXJQKPCFVCXILD-UHFFFAOYSA-N -1 1 413.430 3.111 50 0 HGAAMM O=C(c1cc2ccccc2cc1[O-])N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011450518 559076638 /nfs/dbraw/zinc/07/66/38/559076638.db2.gz VHZVBOIZNSTZSW-UHFFFAOYSA-N -1 1 416.524 3.190 50 0 HGAAMM CCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000004844457 559179072 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3.363 50 0 HGAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(F)c(F)c2)[n-]c(=O)c1C ZINC000012008202 559271115 /nfs/dbraw/zinc/27/11/15/559271115.db2.gz FHHHPINIDQTROV-UHFFFAOYSA-N -1 1 411.368 3.363 50 0 HGAAMM O=C(CCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000012009909 559271150 /nfs/dbraw/zinc/27/11/50/559271150.db2.gz XCBZEQGIOREYGP-UHFFFAOYSA-N -1 1 415.453 3.276 50 0 HGAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-]C4CCCCC4)o3)nnc2c2ccccc12 ZINC000005245196 560550236 /nfs/dbraw/zinc/55/02/36/560550236.db2.gz YSPKXNCEERMATG-UHFFFAOYSA-N -1 1 411.487 3.457 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000005601953 560629147 /nfs/dbraw/zinc/62/91/47/560629147.db2.gz CMIMUZHNHLPFLP-IRXDYDNUSA-N -1 1 422.572 3.462 50 0 HGAAMM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000017289190 560706068 /nfs/dbraw/zinc/70/60/68/560706068.db2.gz JZHSSLLFTWUGDJ-UHFFFAOYSA-N -1 1 415.515 3.381 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000017327271 560709146 /nfs/dbraw/zinc/70/91/46/560709146.db2.gz YRZTXIOXGFSRJX-HOTGVXAUSA-N -1 1 418.515 3.136 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000000857803 560725987 /nfs/dbraw/zinc/72/59/87/560725987.db2.gz QZEXOCLDBODIRJ-UHFFFAOYSA-N -1 1 414.277 3.435 50 0 HGAAMM CCC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101765794 560799495 /nfs/dbraw/zinc/79/94/95/560799495.db2.gz NEHBSKNGQSNHOQ-OAHLLOKOSA-N -1 1 400.504 3.360 50 0 HGAAMM O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074578 568427004 /nfs/dbraw/zinc/42/70/04/568427004.db2.gz AUTSKWHUMQVJRV-OAHLLOKOSA-N -1 1 424.457 3.266 50 0 HGAAMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000048253061 568434395 /nfs/dbraw/zinc/43/43/95/568434395.db2.gz ULYGFFWWTJNVLA-UZLBHIALSA-N -1 1 417.531 3.208 50 0 HGAAMM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cc4c(s3)CCCCC4)C2=O)c1 ZINC000008156806 568491819 /nfs/dbraw/zinc/49/18/19/568491819.db2.gz UWXODRGZBUYWDG-OAQYLSRUSA-N -1 1 413.499 3.138 50 0 HGAAMM Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4nc(=O)[n-][nH]4)CC3)cn2)cc1C ZINC000225523627 568646831 /nfs/dbraw/zinc/64/68/31/568646831.db2.gz LEPKLICDDBXJFB-UHFFFAOYSA-N -1 1 408.462 3.314 50 0 HGAAMM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)n1C ZINC000021154109 568673170 /nfs/dbraw/zinc/67/31/70/568673170.db2.gz SKXBYRXHRZBIHF-UHFFFAOYSA-N -1 1 411.474 3.347 50 0 HGAAMM COC(=O)c1ccc(OC)c(CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000021661383 568736116 /nfs/dbraw/zinc/73/61/16/568736116.db2.gz OTHBZPXILRNSFP-UHFFFAOYSA-N -1 1 406.485 3.194 50 0 HGAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1)c1ccco1 ZINC000022411605 568767917 /nfs/dbraw/zinc/76/79/17/568767917.db2.gz WGTDSRFQEWKXCQ-UHFFFAOYSA-N -1 1 414.439 3.494 50 0 HGAAMM O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1C(F)(F)F ZINC000012560986 568858321 /nfs/dbraw/zinc/85/83/21/568858321.db2.gz 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Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[n-]c(=O)c1Cc1ccccc1 ZINC000011905590 568987073 /nfs/dbraw/zinc/98/70/73/568987073.db2.gz MNJYJRSLDKHCHX-UHFFFAOYSA-N -1 1 409.467 3.129 50 0 HGAAMM O=C(CN1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1)Nc1cccc(F)c1 ZINC000012819053 568990704 /nfs/dbraw/zinc/99/07/04/568990704.db2.gz JXUPLMICALRQCT-UHFFFAOYSA-N -1 1 407.445 3.081 50 0 HGAAMM CNC(=O)c1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[n-]c2=S)cc1 ZINC000012932497 569025018 /nfs/dbraw/zinc/02/50/18/569025018.db2.gz DYICCBWLCSYULI-UHFFFAOYSA-N -1 1 423.542 3.324 50 0 HGAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000012999421 569049132 /nfs/dbraw/zinc/04/91/32/569049132.db2.gz MQZCLTHMNXOAKB-UHFFFAOYSA-N -1 1 400.460 3.272 50 0 HGAAMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cc(Br)cs1 ZINC000064355227 569058029 /nfs/dbraw/zinc/05/80/29/569058029.db2.gz YGZSHJUSMCSJSM-UHFFFAOYSA-N -1 1 409.309 3.125 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCc3ccccn3)c2)cc1F ZINC000006507432 569061811 /nfs/dbraw/zinc/06/18/11/569061811.db2.gz DXVWMAQNKQLDGO-UHFFFAOYSA-N -1 1 413.474 3.302 50 0 HGAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NC1CC1 ZINC000006537776 569064463 /nfs/dbraw/zinc/06/44/63/569064463.db2.gz FNSMNRJEYARUAD-UHFFFAOYSA-N -1 1 413.524 3.280 50 0 HGAAMM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1 ZINC000064843853 569107690 /nfs/dbraw/zinc/10/76/90/569107690.db2.gz PCXISJKUYBPSDM-CQSZACIVSA-N -1 1 419.503 3.216 50 0 HGAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)ccc1Br ZINC000064946771 569128500 /nfs/dbraw/zinc/12/85/00/569128500.db2.gz KEUHTWZTSPQIOR-UHFFFAOYSA-N -1 1 413.318 3.472 50 0 HGAAMM Cc1ccc(C(=O)N2CCC(CC[N-]S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000065007367 569153010 /nfs/dbraw/zinc/15/30/10/569153010.db2.gz JRAITUPADOVRLT-UHFFFAOYSA-N -1 1 422.497 3.494 50 0 HGAAMM Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc(C)cc(=O)[n-]2)n1 ZINC000007419202 569237297 /nfs/dbraw/zinc/23/72/97/569237297.db2.gz UWDWFTZCFWSVLS-UHFFFAOYSA-N -1 1 413.437 3.449 50 0 HGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Br)cc2)[n-]c1=O ZINC000007421872 569237654 /nfs/dbraw/zinc/23/76/54/569237654.db2.gz MEEHWKIIBMXKGU-UHFFFAOYSA-N -1 1 416.279 3.150 50 0 HGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2Br)[n-]c1=O ZINC000007421861 569237698 /nfs/dbraw/zinc/23/76/98/569237698.db2.gz LYZGGTQSXWPYNO-UHFFFAOYSA-N -1 1 416.279 3.150 50 0 HGAAMM O=C([C@@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000013696691 569257104 /nfs/dbraw/zinc/25/71/04/569257104.db2.gz PCOISWLSKQFVIA-SFHVURJKSA-N -1 1 424.881 3.348 50 0 HGAAMM O=C([N-]c1nncs1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000806106 569276758 /nfs/dbraw/zinc/27/67/58/569276758.db2.gz FIHDDBHGFMSZBZ-UHFFFAOYSA-N -1 1 421.331 3.272 50 0 HGAAMM CC(=O)N[C@@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C ZINC000027736706 569392019 /nfs/dbraw/zinc/39/20/19/569392019.db2.gz HWWNFTRLRNOGEX-GOSISDBHSA-N -1 1 423.922 3.240 50 0 HGAAMM C[C@H](SCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000040144806 571194957 /nfs/dbraw/zinc/19/49/57/571194957.db2.gz WGJCNGKTRLJNMZ-HNNXBMFYSA-N -1 1 420.556 3.437 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1F ZINC000009170267 571233667 /nfs/dbraw/zinc/23/36/67/571233667.db2.gz JGJMYBHWMDEPQG-UHFFFAOYSA-N -1 1 422.478 3.407 50 0 HGAAMM O=C1[N-]C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 ZINC000009433970 571258595 /nfs/dbraw/zinc/25/85/95/571258595.db2.gz PFQSRJCZJHOWCJ-XXBNENTESA-N -1 1 423.900 3.172 50 0 HGAAMM CS(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000009546232 571267674 /nfs/dbraw/zinc/26/76/74/571267674.db2.gz NMMQSBOXGJUROU-UHFFFAOYSA-N -1 1 408.473 3.174 50 0 HGAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000009641228 571275754 /nfs/dbraw/zinc/27/57/54/571275754.db2.gz ILNNLOSAQHFQRS-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3CC)cc1 ZINC000010063726 571294758 /nfs/dbraw/zinc/29/47/58/571294758.db2.gz PFGPBVLSHZHFBM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/16/44/27/557164427.db2.gz UKDFPPBIHKHQGL-UHFFFAOYSA-N -1 1 410.451 3.146 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)cc1 ZINC000001161531 557218447 /nfs/dbraw/zinc/21/84/47/557218447.db2.gz KDQPPFFGQQELEU-UHFFFAOYSA-N -1 1 416.240 3.050 50 0 HGAAMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)C(C)C ZINC000004324273 557541319 /nfs/dbraw/zinc/54/13/19/557541319.db2.gz AVZDXAFLNPPOEC-SECBINFHSA-N -1 1 404.735 3.030 50 0 HGAAMM O=C([O-])c1cccc(CNC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000005636992 557666180 /nfs/dbraw/zinc/66/61/80/557666180.db2.gz NHSVLKQMKAFWHO-UHFFFAOYSA-N -1 1 402.863 3.232 50 0 HGAAMM Cc1nn(C)c(-c2n[nH]c(=S)n2-c2ccc(CC(=O)[O-])cc2)c1Br ZINC000005811511 557675841 /nfs/dbraw/zinc/67/58/41/557675841.db2.gz KZCKIDJBGPZBKY-UHFFFAOYSA-N -1 1 408.281 3.028 50 0 HGAAMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])C(C(C)=O)=NN3c2ccc(Cl)cc2)cc1 ZINC000006351263 557699957 /nfs/dbraw/zinc/69/99/57/557699957.db2.gz XPFUFHULHQBIPD-IEBWSBKVSA-N -1 1 411.845 3.062 50 0 HGAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000006739360 557718524 /nfs/dbraw/zinc/71/85/24/557718524.db2.gz KHQGDVSPGPKJKU-UHFFFAOYSA-N -1 1 415.496 3.054 50 0 HGAAMM CC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020714372 558400559 /nfs/dbraw/zinc/40/05/59/558400559.db2.gz IELOLKLQQRBLMB-QFIPXVFZSA-N -1 1 407.470 3.037 50 0 HGAAMM O=C(CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21)Oc1ccccc1 ZINC000021885404 558454077 /nfs/dbraw/zinc/45/40/77/558454077.db2.gz KWSNTZWPRDSHPV-UHFFFAOYSA-N -1 1 412.858 3.436 50 0 HGAAMM Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013678274 558565333 /nfs/dbraw/zinc/56/53/33/558565333.db2.gz QWXDEJXAJWQFRW-UHFFFAOYSA-N -1 1 424.478 3.455 50 0 HGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000013688025 558570704 /nfs/dbraw/zinc/57/07/04/558570704.db2.gz ZEMGAOGYJRGYGZ-UHFFFAOYSA-N -1 1 415.497 3.409 50 0 HGAAMM CCc1ccc(C(=O)N2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)cc1 ZINC000025466862 558641914 /nfs/dbraw/zinc/64/19/14/558641914.db2.gz XWKMXJWDASNJEB-UHFFFAOYSA-N -1 1 417.303 3.315 50 0 HGAAMM COc1cccc(NC(=O)Cc2sc(CC(=O)Nc3ccccc3C)nc2[O-])c1 ZINC000015525455 558742373 /nfs/dbraw/zinc/74/23/73/558742373.db2.gz VIMJJFPCCGAUSI-QGZVFWFLSA-N -1 1 411.483 3.402 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)c1 ZINC000016649387 558797719 /nfs/dbraw/zinc/79/77/19/558797719.db2.gz KPJOUYJOVZAAMW-UHFFFAOYSA-N -1 1 406.529 3.454 50 0 HGAAMM CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C(F)(F)F)N1CCCc1ccccc1 ZINC000016756478 558805803 /nfs/dbraw/zinc/80/58/03/558805803.db2.gz SXFHQLSNJKGTFX-UHFFFAOYSA-N -1 1 421.444 3.112 50 0 HGAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)N(C)C)cc1 ZINC000016847765 558808615 /nfs/dbraw/zinc/80/86/15/558808615.db2.gz ICWSVQFQQJICHO-UHFFFAOYSA-N -1 1 415.540 3.398 50 0 HGAAMM CCCCN(C)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C(=O)[O-])c1 ZINC000033007248 558827930 /nfs/dbraw/zinc/82/79/30/558827930.db2.gz SGPRNJPMXYBDNO-UHFFFAOYSA-N -1 1 422.503 3.439 50 0 HGAAMM CNC(=O)c1cnc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[n-]c1=O ZINC000058300529 558917817 /nfs/dbraw/zinc/91/78/17/558917817.db2.gz OCTLJPZLZPLIES-MDZDMXLPSA-N -1 1 408.845 3.206 50 0 HGAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000033253983 558922304 /nfs/dbraw/zinc/92/23/04/558922304.db2.gz VNNRQWPSWWQROS-UHFFFAOYSA-N -1 1 419.547 3.190 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1C ZINC000021756863 558948501 /nfs/dbraw/zinc/94/85/01/558948501.db2.gz YPANKIFIUNIHOX-UHFFFAOYSA-N -1 1 418.515 3.120 50 0 HGAAMM Cc1nc(SCc2ccccc2F)[n-]c(=O)c1CC(=O)NCc1cccs1 ZINC000023138604 559019919 /nfs/dbraw/zinc/01/99/19/559019919.db2.gz FQKVQLQFBSENRU-UHFFFAOYSA-N -1 1 403.504 3.430 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4nc(OC)ccc4n3)cc2)cc1 ZINC000011693569 559187846 /nfs/dbraw/zinc/18/78/46/559187846.db2.gz XNYXTLTUIPDLTB-UHFFFAOYSA-N -1 1 410.455 3.214 50 0 HGAAMM COC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000205972984 559197748 /nfs/dbraw/zinc/19/77/48/559197748.db2.gz DRGSJHLAHLHPOQ-AWEZNQCLSA-N -1 1 422.359 3.123 50 0 HGAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(C)n4n3)c2)cc1 ZINC000005150924 559253691 /nfs/dbraw/zinc/25/36/91/559253691.db2.gz WNIROMHGFHJIBP-UHFFFAOYSA-N -1 1 407.455 3.103 50 0 HGAAMM CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=S)n(Cc2ccccc2)c1[O-] ZINC000100749947 559262463 /nfs/dbraw/zinc/26/24/63/559262463.db2.gz YKUUXYWYCVWXNH-IBGZPJMESA-N -1 1 407.495 3.154 50 0 biogenic HGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 ZINC000012006573 559271022 /nfs/dbraw/zinc/27/10/22/559271022.db2.gz SVMXABLGHSLXAK-UHFFFAOYSA-N -1 1 418.369 3.024 50 0 HGAAMM Cc1ccc(NCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2[O-])cc1 ZINC000005689385 560784684 /nfs/dbraw/zinc/78/46/84/560784684.db2.gz QXQGLPWFDALXKZ-UHFFFAOYSA-N -1 1 417.531 3.316 50 0 HGAAMM Cc1ccc(-n2nc3c4cc(C(=O)NC[C@H]5CCCO5)ccc4[n-]cc-3c2=O)cc1C ZINC000101282111 560790378 /nfs/dbraw/zinc/79/03/78/560790378.db2.gz OMHGGDFDERERHY-GOSISDBHSA-N -1 1 416.481 3.344 50 0 HGAAMM O=C1N[C@H](c2cccc(O)c2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000102790263 560827746 /nfs/dbraw/zinc/82/77/46/560827746.db2.gz RDQLJCDEPOORFC-CKEIUWERSA-N -1 1 414.767 3.150 50 0 HGAAMM COc1ccccc1CN(C(=O)c1ccc(C)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101860935 560852489 /nfs/dbraw/zinc/85/24/89/560852489.db2.gz FKVUUXFYJDZIMJ-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM COc1ccc(CN(C(=O)c2ccc(C)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860873 560852499 /nfs/dbraw/zinc/85/24/99/560852499.db2.gz WBFGXZPTHLKIHY-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)c1 ZINC000046053881 568425592 /nfs/dbraw/zinc/42/55/92/568425592.db2.gz WWFTZROJKAZWDL-UHFFFAOYSA-N -1 1 414.483 3.434 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046074279 568426758 /nfs/dbraw/zinc/42/67/58/568426758.db2.gz XFIFDSMLOXHTHQ-SNVBAGLBSA-N -1 1 408.430 3.005 50 0 HGAAMM O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075237 568426981 /nfs/dbraw/zinc/42/69/81/568426981.db2.gz XSVYGTAGCMWZOI-CQSZACIVSA-N -1 1 424.457 3.266 50 0 HGAAMM CC[C@H](C)[C@@H](CO)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000012296806 568462435 /nfs/dbraw/zinc/46/24/35/568462435.db2.gz LVUCAFLVXMAPCB-WMLDXEAASA-N -1 1 411.454 3.068 50 0 biogenic HGAAMM CC[C@H](C)[C@@H](CO)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012296806 568462437 /nfs/dbraw/zinc/46/24/37/568462437.db2.gz LVUCAFLVXMAPCB-WMLDXEAASA-N -1 1 411.454 3.068 50 0 biogenic HGAAMM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000020902264 568650371 /nfs/dbraw/zinc/65/03/71/568650371.db2.gz ZBHSOCPHSJQNFH-UHFFFAOYSA-N -1 1 400.378 3.252 50 0 HGAAMM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccccc2F)c(C)n1C ZINC000021155813 568673698 /nfs/dbraw/zinc/67/36/98/568673698.db2.gz AZXMMPQEVSZGCW-UHFFFAOYSA-N -1 1 407.511 3.454 50 0 HGAAMM CC(=O)N[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2C)c1 ZINC000096191729 568703529 /nfs/dbraw/zinc/70/35/29/568703529.db2.gz BWMVMYWLQOHLJC-HNNXBMFYSA-N -1 1 415.515 3.120 50 0 HGAAMM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@H]32)C(=O)[N-]C1=S ZINC000229919878 568716075 /nfs/dbraw/zinc/71/60/75/568716075.db2.gz STQPTDBQPUDKPZ-APXLUKDGSA-N -1 1 405.951 3.283 50 0 HGAAMM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc21 ZINC000021756654 568752156 /nfs/dbraw/zinc/75/21/56/568752156.db2.gz IBKWCKANNJBTTO-UHFFFAOYSA-N -1 1 401.488 3.135 50 0 HGAAMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C[C@H](C)O1 ZINC000012508061 568839624 /nfs/dbraw/zinc/83/96/24/568839624.db2.gz IMLITECMWGNXRA-BETUJISGSA-N -1 1 410.442 3.015 50 0 HGAAMM CCOC(=O)[C@]([N-]c1cccc(F)c1)(NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000003028102 568841690 /nfs/dbraw/zinc/84/16/90/568841690.db2.gz FMEDNYHANIYCGE-INIZCTEOSA-N -1 1 420.384 3.038 50 0 HGAAMM O=C(Nn1cnc2ccccc21)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012548247 568851297 /nfs/dbraw/zinc/85/12/97/568851297.db2.gz FUFSFJCZJKVVKL-UHFFFAOYSA-N -1 1 410.430 3.360 50 0 HGAAMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003515923 568911577 /nfs/dbraw/zinc/91/15/77/568911577.db2.gz NCABYRHMSSUJKS-UHFFFAOYSA-N -1 1 403.287 3.170 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075781 568928382 /nfs/dbraw/zinc/92/83/82/568928382.db2.gz GOQSIYPUSPFKNN-SNVBAGLBSA-N -1 1 408.430 3.005 50 0 HGAAMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000012784204 568959290 /nfs/dbraw/zinc/95/92/90/568959290.db2.gz RRUATGFZNAAORQ-ZDUSSCGKSA-N -1 1 424.906 3.236 50 0 HGAAMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000008130774 568975308 /nfs/dbraw/zinc/97/53/08/568975308.db2.gz DBJZOBCXNSFKPI-UHFFFAOYSA-N -1 1 403.773 3.135 50 0 HGAAMM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1 ZINC000064843869 569107714 /nfs/dbraw/zinc/10/77/14/569107714.db2.gz 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569159229 /nfs/dbraw/zinc/15/92/29/569159229.db2.gz GVIITDRUDBHQIH-GFCCVEGCSA-N -1 1 404.513 3.269 50 0 HGAAMM Cc1cc2nc(C)c(CCC(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)c(C)n2n1 ZINC000036395698 569168875 /nfs/dbraw/zinc/16/88/75/569168875.db2.gz IEDAMMJLHOYUIJ-UHFFFAOYSA-N -1 1 420.513 3.414 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2)cc(OC)c1OC ZINC000006887488 569170805 /nfs/dbraw/zinc/17/08/05/569170805.db2.gz WQXGWOUPBXZXFJ-UHFFFAOYSA-N -1 1 404.444 3.477 50 0 HGAAMM Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000006915745 569181028 /nfs/dbraw/zinc/18/10/28/569181028.db2.gz YWZNSQJIAHCPBZ-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3c(F)cccc3Cl)C2=O)ccc1F ZINC000065229345 569200410 /nfs/dbraw/zinc/20/04/10/569200410.db2.gz UXNWQVRXEUCILW-QGZVFWFLSA-N -1 1 414.861 3.152 50 0 HGAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(Cl)c1 ZINC000007055035 569214505 /nfs/dbraw/zinc/21/45/05/569214505.db2.gz FMOHPCIZECXZFR-UHFFFAOYSA-N -1 1 414.936 3.315 50 0 HGAAMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nccs1 ZINC000007061358 569215364 /nfs/dbraw/zinc/21/53/64/569215364.db2.gz HUSFGLAGNQCVFN-NSHDSACASA-N -1 1 408.332 3.392 50 0 HGAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC000170601029 569243078 /nfs/dbraw/zinc/24/30/78/569243078.db2.gz MGTYIMYPPOKGMZ-LBPRGKRZSA-N -1 1 411.863 3.254 50 0 HGAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC000170601028 569243111 /nfs/dbraw/zinc/24/31/11/569243111.db2.gz MGTYIMYPPOKGMZ-GFCCVEGCSA-N -1 1 411.863 3.254 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2C[C@@H](c3ccccc3C)OC[C@H]2C)c(=O)[n-]1 ZINC000170640513 569282987 /nfs/dbraw/zinc/28/29/87/569282987.db2.gz PTZPGHOEEHOTRF-KDOFPFPSSA-N -1 1 401.532 3.030 50 0 HGAAMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000012756653 571044679 /nfs/dbraw/zinc/04/46/79/571044679.db2.gz VUSVHPLNSQWDFS-UHFFFAOYSA-N -1 1 422.450 3.195 50 0 HGAAMM CCc1ccccc1NC(=O)CNC(=O)c1cc(Br)c([O-])c(OC)c1 ZINC000008756734 571113671 /nfs/dbraw/zinc/11/36/71/571113671.db2.gz YXSOQEZKNLOWTN-UHFFFAOYSA-N -1 1 407.264 3.094 50 0 HGAAMM Cc1c(CC(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(=O)oc2cc(O)cc([O-])c12 ZINC000008764572 571114982 /nfs/dbraw/zinc/11/49/82/571114982.db2.gz WEKDSHIEBDHNIT-GFCCVEGCSA-N -1 1 406.438 3.284 50 0 biogenic HGAAMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)no3)cc2C)cc1 ZINC000040152615 571200259 /nfs/dbraw/zinc/20/02/59/571200259.db2.gz QMNWBBYWEUUYEF-UHFFFAOYSA-N -1 1 403.460 3.179 50 0 HGAAMM COc1cc(CSc2nnc([N-]C(=O)c3snnc3C)s2)cc(OC)c1 ZINC000070634965 571270289 /nfs/dbraw/zinc/27/02/89/571270289.db2.gz ZLEGYGFEEPBQNP-UHFFFAOYSA-N -1 1 409.518 3.260 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)cc1F ZINC000005099555 132301216 /nfs/dbraw/zinc/30/12/16/132301216.db2.gz PBXBHCHYDXRLED-UHFFFAOYSA-N -1 1 404.463 3.324 50 0 HGAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 ZINC000008609806 132331617 /nfs/dbraw/zinc/33/16/17/132331617.db2.gz ZKIIQSMMZDNZMY-UHFFFAOYSA-N -1 1 424.526 3.398 50 0 HGAAMM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(CCc1ccccc1)C2=O ZINC000009089946 132335649 /nfs/dbraw/zinc/33/56/49/132335649.db2.gz QKNBNSGPPUMIPU-VWLOTQADSA-N -1 1 413.477 3.140 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2N2CCOCC2)c1 ZINC000012742512 132366375 /nfs/dbraw/zinc/36/63/75/132366375.db2.gz MZOHGHZOFSNRLS-UHFFFAOYSA-N -1 1 409.515 3.391 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000031040680 524114504 /nfs/dbraw/zinc/11/45/04/524114504.db2.gz NXDYXSBCJIVTOH-INIZCTEOSA-N -1 1 410.499 3.262 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)cc1OC ZINC000032943878 524694048 /nfs/dbraw/zinc/69/40/48/524694048.db2.gz CHMYGZLWPCKGHI-GFCCVEGCSA-N -1 1 422.528 3.352 50 0 HGAAMM COc1ccc(OC)c([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040313132 524899441 /nfs/dbraw/zinc/89/94/41/524899441.db2.gz JZRIJJNAZWFKRE-HXUWFJFHSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nncn2C)cc1Br ZINC000032913175 525086673 /nfs/dbraw/zinc/08/66/73/525086673.db2.gz FANUOIUUTKMMNZ-UHFFFAOYSA-N -1 1 423.292 3.054 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CCS3)c1 ZINC000032943957 526209384 /nfs/dbraw/zinc/20/93/84/526209384.db2.gz SJYMEYSEYFRBHV-UHFFFAOYSA-N -1 1 404.513 3.345 50 0 HGAAMM O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000032898943 527235918 /nfs/dbraw/zinc/23/59/18/527235918.db2.gz YUTNUNAXXWQPDS-UHFFFAOYSA-N -1 1 406.482 3.183 50 0 HGAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4cn5ccsc5n4)cc3)cc2o1 ZINC000032686411 527443358 /nfs/dbraw/zinc/44/33/58/527443358.db2.gz JBQPJYMIHNXGII-UHFFFAOYSA-N -1 1 412.452 3.298 50 0 HGAAMM COc1ccc2nc(N3CCCCC3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000001293619 537054836 /nfs/dbraw/zinc/05/48/36/537054836.db2.gz YSUSOZARZSVROM-LDADJPATSA-N -1 1 410.499 3.249 50 0 HGAAMM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022626603 557105249 /nfs/dbraw/zinc/10/52/49/557105249.db2.gz FOKHNVQQOHCBJR-OAHLLOKOSA-N -1 1 422.457 3.011 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000001065604 557166205 /nfs/dbraw/zinc/16/62/05/557166205.db2.gz WBRCIZNYZIZOGL-IBGZPJMESA-N -1 1 402.516 3.024 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000008135227 557773392 /nfs/dbraw/zinc/77/33/92/557773392.db2.gz VDWAFTRCNNJVMD-HNNXBMFYSA-N -1 1 401.488 3.285 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1OC ZINC000008396964 557786020 /nfs/dbraw/zinc/78/60/20/557786020.db2.gz WYDQZYPZSFDCOU-UHFFFAOYSA-N -1 1 419.240 3.109 50 0 HGAAMM COc1ccc(-c2cc(=O)[n-]c(Nc3nc(C)c4cccc(OC)c4n3)n2)cc1OC ZINC000012322742 558382991 /nfs/dbraw/zinc/38/29/91/558382991.db2.gz OGIOCLWMNCQHLU-UHFFFAOYSA-N -1 1 419.441 3.458 50 0 HGAAMM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021006370 558429217 /nfs/dbraw/zinc/42/92/17/558429217.db2.gz HXYYSKUWDUGFAG-UHFFFAOYSA-N -1 1 414.527 3.237 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000013096582 558513123 /nfs/dbraw/zinc/51/31/23/558513123.db2.gz ZWBSEGYFRYSPHZ-UHFFFAOYSA-N -1 1 424.544 3.061 50 0 HGAAMM COC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000013644279 558556220 /nfs/dbraw/zinc/55/62/20/558556220.db2.gz LSZILEHOUKFQFK-UHFFFAOYSA-N -1 1 423.494 3.187 50 0 HGAAMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OCCCO2 ZINC000023873089 558578952 /nfs/dbraw/zinc/57/89/52/558578952.db2.gz UPWFDRFUSCYXRZ-UHFFFAOYSA-N -1 1 417.361 3.366 50 0 HGAAMM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000072236018 558635505 /nfs/dbraw/zinc/63/55/05/558635505.db2.gz UAQZIYDHPZPAPS-OAHLLOKOSA-N -1 1 412.486 3.290 50 0 HGAAMM CS(=O)(=O)c1ccccc1-c1nnc([N-]C(=O)c2nc3ccccc3s2)o1 ZINC000004585634 558780490 /nfs/dbraw/zinc/78/04/90/558780490.db2.gz KNMZMTYWTQDZGL-UHFFFAOYSA-N -1 1 400.441 3.002 50 0 HGAAMM O=C(CSCc1ccc(F)cc1)Nn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 ZINC000017092765 558821188 /nfs/dbraw/zinc/82/11/88/558821188.db2.gz MYMSQFRDRDJYJA-UHFFFAOYSA-N -1 1 421.544 3.378 50 0 HGAAMM O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023055393 558994678 /nfs/dbraw/zinc/99/46/78/558994678.db2.gz WCADBRYDRMXQAR-GOSISDBHSA-N -1 1 424.478 3.057 50 0 HGAAMM CCCCCNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000023078800 558999328 /nfs/dbraw/zinc/99/93/28/558999328.db2.gz LLJJEJWYPHYJTO-QGZVFWFLSA-N -1 1 416.547 3.029 50 0 HGAAMM Cc1csc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)n1 ZINC000023138616 559019888 /nfs/dbraw/zinc/01/98/88/559019888.db2.gz ULSPNUVUNMDGNH-UHFFFAOYSA-N -1 1 404.492 3.456 50 0 HGAAMM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000005144050 559252258 /nfs/dbraw/zinc/25/22/58/559252258.db2.gz GIRNNZHTRKWVQL-NJDAHSKKSA-N -1 1 414.417 3.436 50 0 HGAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nn1 ZINC000005204289 560538529 /nfs/dbraw/zinc/53/85/29/560538529.db2.gz HIJJUUKOAPDQCW-UHFFFAOYSA-N -1 1 412.471 3.302 50 0 HGAAMM CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000206330982 560556308 /nfs/dbraw/zinc/55/63/08/560556308.db2.gz KCPCDTNNTCDLKP-CYFREDJKSA-N -1 1 420.513 3.323 50 0 HGAAMM CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@H]32)C1=O ZINC000206330951 560556313 /nfs/dbraw/zinc/55/63/13/560556313.db2.gz KCPCDTNNTCDLKP-YADARESESA-N -1 1 420.513 3.323 50 0 HGAAMM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000017782464 560728190 /nfs/dbraw/zinc/72/81/90/560728190.db2.gz KAXLLGBUNXXNSL-DOTOQJQBSA-N -1 1 402.237 3.317 50 0 HGAAMM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@H]23)c1 ZINC000102896564 560834821 /nfs/dbraw/zinc/83/48/21/560834821.db2.gz WGXAYLOIOLKDDP-TZIWHRDSSA-N -1 1 402.406 3.150 50 0 HGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)COc2ccccc2F)n1 ZINC000012126316 560889640 /nfs/dbraw/zinc/88/96/40/560889640.db2.gz IWGLIKYHLXROIE-UHFFFAOYSA-N -1 1 411.437 3.113 50 0 HGAAMM O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)cc3c2N1CC3 ZINC000005153423 568454648 /nfs/dbraw/zinc/45/46/48/568454648.db2.gz VZYTVYBWIGVIQE-UHFFFAOYSA-N -1 1 407.289 3.085 50 0 HGAAMM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000095463885 568622156 /nfs/dbraw/zinc/62/21/56/568622156.db2.gz LGLQAZZIHIBPPP-UHFFFAOYSA-N -1 1 413.430 3.055 50 0 HGAAMM CCCCCCn1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2CC)c(=O)[nH]c1=O ZINC000020758662 568641899 /nfs/dbraw/zinc/64/18/99/568641899.db2.gz ZJYYXCXWQYQQEL-FQEVSTJZSA-N -1 1 410.518 3.271 50 0 biogenic HGAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000095996437 568679188 /nfs/dbraw/zinc/67/91/88/568679188.db2.gz AUPMBKFYZOEWIO-RTWAWAEBSA-N -1 1 423.494 3.267 50 0 HGAAMM COC(=O)CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)o1 ZINC000000897055 568748628 /nfs/dbraw/zinc/74/86/28/568748628.db2.gz LMOQVJMKZPDDBE-UHFFFAOYSA-N -1 1 419.484 3.111 50 0 HGAAMM COc1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000025599646 568823960 /nfs/dbraw/zinc/82/39/60/568823960.db2.gz XMXAFAZCVZHTMR-UHFFFAOYSA-N -1 1 406.504 3.382 50 0 HGAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccccc3SCC(F)(F)F)cc2N1 ZINC000012521451 568841896 /nfs/dbraw/zinc/84/18/96/568841896.db2.gz UMYLPOQOKYBPNP-UHFFFAOYSA-N -1 1 418.418 3.473 50 0 HGAAMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(Cl)cc1Cl ZINC000004148036 568946701 /nfs/dbraw/zinc/94/67/01/568946701.db2.gz LCTRVSCADYNEFU-UHFFFAOYSA-N -1 1 404.227 3.264 50 0 HGAAMM CN(C)c1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000015670690 568961951 /nfs/dbraw/zinc/96/19/51/568961951.db2.gz UDWAVKVVOLKILS-SFHVURJKSA-N -1 1 422.510 3.203 50 0 HGAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000015781459 569002486 /nfs/dbraw/zinc/00/24/86/569002486.db2.gz IOLCZPFPTYACBR-UHFFFAOYSA-N -1 1 414.936 3.243 50 0 HGAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc21 ZINC000015781515 569002729 /nfs/dbraw/zinc/00/27/29/569002729.db2.gz NBOWQDPNTKANRB-UHFFFAOYSA-N -1 1 408.545 3.207 50 0 HGAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000015781517 569002804 /nfs/dbraw/zinc/00/28/04/569002804.db2.gz PLUXPCMFEBZWKR-UHFFFAOYSA-N -1 1 412.508 3.037 50 0 HGAAMM O=C([C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)N1CCCC1 ZINC000064611754 569074488 /nfs/dbraw/zinc/07/44/88/569074488.db2.gz RZHHDDSANUYABF-INIZCTEOSA-N -1 1 408.527 3.490 50 0 HGAAMM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCC2)cc1 ZINC000064843897 569107688 /nfs/dbraw/zinc/10/76/88/569107688.db2.gz PCVYHDPWZWCYJH-UHFFFAOYSA-N -1 1 403.504 3.379 50 0 HGAAMM O=C([O-])c1cnc(N2CCCCCCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000064843995 569107853 /nfs/dbraw/zinc/10/78/53/569107853.db2.gz STBOHJWYOPXFIW-UHFFFAOYSA-N -1 1 407.467 3.490 50 0 HGAAMM Cc1c(CC(=O)NCCc2c[nH]c3ccc(F)cc23)c(=O)oc2cc(O)cc([O-])c12 ZINC000006759746 569113228 /nfs/dbraw/zinc/11/32/28/569113228.db2.gz CAFSGNJIHWTWJR-UHFFFAOYSA-N -1 1 410.401 3.034 50 0 HGAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 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401.426 3.233 50 0 HGAAMM CC1=CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)CC1 ZINC000089919766 569268669 /nfs/dbraw/zinc/26/86/69/569268669.db2.gz LJYFEACGGTVKRQ-UHFFFAOYSA-N -1 1 414.483 3.051 50 0 HGAAMM O=c1[n-]c(=S)n(Cc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 ZINC000001059932 569277092 /nfs/dbraw/zinc/27/70/92/569277092.db2.gz OYOGXFCHDYFHRQ-UHFFFAOYSA-N -1 1 424.326 3.409 50 0 HGAAMM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(F)c1 ZINC000013009992 569407175 /nfs/dbraw/zinc/40/71/75/569407175.db2.gz GTJPHBIMHMAQMO-UHFFFAOYSA-N -1 1 410.434 3.346 50 0 HGAAMM COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc(OC)c1 ZINC000067298523 571072649 /nfs/dbraw/zinc/07/26/49/571072649.db2.gz YLTYGFLOIRAMIR-NPPSCJOGSA-N -1 1 424.453 3.297 50 0 HGAAMM Cc1cc(C(=O)CSc2nc(N)cc(=O)[n-]2)c(C)n1CCc1ccc(F)cc1 ZINC000008578612 571082299 /nfs/dbraw/zinc/08/22/99/571082299.db2.gz HDEJWCSELGLEOE-UHFFFAOYSA-N -1 1 400.479 3.127 50 0 HGAAMM C[C@H]([N-]S(=O)(=O)c1cc(-c2ccno2)cs1)c1nc(-c2ccccc2)no1 ZINC000670473374 571105523 /nfs/dbraw/zinc/10/55/23/571105523.db2.gz PRTMWMPXTFLAHH-NSHDSACASA-N -1 1 402.457 3.493 50 0 HGAAMM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 ZINC000008840533 571123492 /nfs/dbraw/zinc/12/34/92/571123492.db2.gz NWWSYBYBVWFRPB-UHFFFAOYSA-N -1 1 401.488 3.135 50 0 HGAAMM O=S(=O)([N-]c1cccc(OCCn2cncn2)c1)c1cccc(C(F)(F)F)c1 ZINC000040150886 571199074 /nfs/dbraw/zinc/19/90/74/571199074.db2.gz QXBHMINPCHKRNU-UHFFFAOYSA-N -1 1 412.393 3.177 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1F ZINC000009169112 571233417 /nfs/dbraw/zinc/23/34/17/571233417.db2.gz MEHIJNUOKMCKPU-UHFFFAOYSA-N -1 1 408.451 3.382 50 0 HGAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc21 ZINC000011612441 132348470 /nfs/dbraw/zinc/34/84/70/132348470.db2.gz SJVTZTTUHBUAJZ-UHFFFAOYSA-N -1 1 408.545 3.288 50 0 HGAAMM Nc1cc(=O)[n-]c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 ZINC000032741559 527440087 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420.516 3.093 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(=O)[n-]1 ZINC000027379369 558672701 /nfs/dbraw/zinc/67/27/01/558672701.db2.gz QBKZOJXFXWIAIR-CQSZACIVSA-N -1 1 412.515 3.280 50 0 HGAAMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1 ZINC000028243240 558693490 /nfs/dbraw/zinc/69/34/90/558693490.db2.gz CBCMQABJIUHUOW-UHFFFAOYSA-N -1 1 424.906 3.072 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000028697517 558703926 /nfs/dbraw/zinc/70/39/26/558703926.db2.gz LTDHPRAYPIROJJ-UHFFFAOYSA-N -1 1 416.543 3.483 50 0 HGAAMM Cc1cc(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2[O-])on1 ZINC000029698151 558719239 /nfs/dbraw/zinc/71/92/39/558719239.db2.gz BRKURHIFTMDGNZ-UHFFFAOYSA-N -1 1 407.835 3.395 50 0 HGAAMM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 ZINC000072301176 558750938 /nfs/dbraw/zinc/75/09/38/558750938.db2.gz LGTSEVSSJBPBBH-UHFFFAOYSA-N -1 1 409.895 3.241 50 0 HGAAMM COCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1 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ZINC000011854440 559262234 /nfs/dbraw/zinc/26/22/34/559262234.db2.gz DYCAVNQUGRIXMP-UHFFFAOYSA-N -1 1 421.482 3.182 50 0 HGAAMM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 ZINC000005204277 560538494 /nfs/dbraw/zinc/53/84/94/560538494.db2.gz GOPWFAPYQIITJD-UHFFFAOYSA-N -1 1 413.455 3.114 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3c(Cl)c2)cc1OC ZINC000005553163 560608726 /nfs/dbraw/zinc/60/87/26/560608726.db2.gz XGCIDBYZGHKFLQ-UHFFFAOYSA-N -1 1 401.849 3.326 50 0 HGAAMM O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)cc(F)c1 ZINC000051316706 560856488 /nfs/dbraw/zinc/85/64/88/560856488.db2.gz WCVUVFYNKJDASI-UHFFFAOYSA-N -1 1 413.409 3.118 50 0 HGAAMM O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1cc(F)ccc1F ZINC000051316704 560856529 /nfs/dbraw/zinc/85/65/29/560856529.db2.gz DIAKJNWJSGCHIN-UHFFFAOYSA-N -1 1 413.409 3.118 50 0 HGAAMM O=C(NC1CC1)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421054 568450395 /nfs/dbraw/zinc/45/03/95/568450395.db2.gz JUKLTINPEUPCSN-UHFFFAOYSA-N -1 1 412.490 3.286 50 0 HGAAMM Cc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\[O-])ccc1Br ZINC000020849232 568644784 /nfs/dbraw/zinc/64/47/84/568644784.db2.gz RFSMZLYDGBKDJM-PYCFMQQDSA-N -1 1 418.247 3.242 50 0 HGAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1cccc2nccnc21 ZINC000096117850 568697584 /nfs/dbraw/zinc/69/75/84/568697584.db2.gz HQERUPJQZXKWFE-KRWDZBQOSA-N -1 1 418.453 3.353 50 0 HGAAMM COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCO3)[n-][nH]c1=O)c1ccc(OC)cc1 ZINC000096222108 568705446 /nfs/dbraw/zinc/70/54/46/568705446.db2.gz KZIHOQLJXZNMBG-SFHVURJKSA-N -1 1 408.454 3.345 50 0 biogenic HGAAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCO2)c1ccc(OC)c(O)c1 ZINC000096222327 568705849 /nfs/dbraw/zinc/70/58/49/568705849.db2.gz PHZIDNJVYUJKEY-INIZCTEOSA-N -1 1 424.453 3.050 50 0 biogenic HGAAMM Cc1cccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)c1 ZINC000021537253 568712543 /nfs/dbraw/zinc/71/25/43/568712543.db2.gz IRBVOELJTIHMGY-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM 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CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1C ZINC000006023949 568835659 /nfs/dbraw/zinc/83/56/59/568835659.db2.gz YQNBJHXONSPDHP-UHFFFAOYSA-N -1 1 416.952 3.480 50 0 HGAAMM Cc1cc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)ccc1Br ZINC000003030832 568844399 /nfs/dbraw/zinc/84/43/99/568844399.db2.gz YHXHVZUBESTZRG-UHFFFAOYSA-N -1 1 408.321 3.450 50 0 HGAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)nc3n4CCCCC3)ccc2N1 ZINC000012552270 568854202 /nfs/dbraw/zinc/85/42/02/568854202.db2.gz FHHQYORBLWQAGL-UHFFFAOYSA-N -1 1 410.499 3.448 50 0 HGAAMM CCOC(=O)c1c(-c2ccccc2)csc1[N-][C@](O)(C(=O)OC)C(F)(F)F ZINC000003191256 568860727 /nfs/dbraw/zinc/86/07/27/568860727.db2.gz LVGKAKZQYDZHTG-INIZCTEOSA-N -1 1 403.378 3.428 50 0 HGAAMM O=C(COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCCCC1 ZINC000003315631 568879126 /nfs/dbraw/zinc/87/91/26/568879126.db2.gz NEUZGCSVQHOYGK-UHFFFAOYSA-N -1 1 416.499 3.047 50 0 HGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)C1 ZINC000031821022 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O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000001150308 557210641 /nfs/dbraw/zinc/21/06/41/557210641.db2.gz JQXICUKFCUVLPZ-UHFFFAOYSA-N -1 1 406.460 3.427 50 0 HGAAMM C[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000004742362 557591125 /nfs/dbraw/zinc/59/11/25/557591125.db2.gz SQOXHROIDXXLHS-CQSZACIVSA-N -1 1 412.508 3.047 50 0 HGAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2C)c1 ZINC000004809376 557599701 /nfs/dbraw/zinc/59/97/01/557599701.db2.gz GKRHNZLSCZGZCD-SFHVURJKSA-N -1 1 402.516 3.321 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c1 ZINC000006707014 557716517 /nfs/dbraw/zinc/71/65/17/557716517.db2.gz UMGQYTOADOEWCK-UHFFFAOYSA-N -1 1 404.488 3.131 50 0 HGAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccc(C(C)=O)cc4)CC3)c2c1 ZINC000020733602 558407226 /nfs/dbraw/zinc/40/72/26/558407226.db2.gz ISXICCACJCIDDY-JOCHJYFZSA-N -1 1 407.470 3.327 50 0 HGAAMM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4ccc(C(C)=O)cc4)CC3)c[nH]c21 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COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000012616455 568871955 /nfs/dbraw/zinc/87/19/55/568871955.db2.gz UHUNDDMUWSCTEW-UHFFFAOYSA-N -1 1 423.542 3.274 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)cc1OC ZINC000015730605 568981192 /nfs/dbraw/zinc/98/11/92/568981192.db2.gz TVXLDWYSYGXGSM-LLVKDONJSA-N -1 1 408.501 3.185 50 0 HGAAMM Cc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3cc(F)ccc3F)nn2)cc1 ZINC000015884241 569019613 /nfs/dbraw/zinc/01/96/13/569019613.db2.gz VIIIDFQMRFMDLX-UHFFFAOYSA-N -1 1 405.426 3.088 50 0 HGAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)cc2n(C)c1=O ZINC000035528311 569044024 /nfs/dbraw/zinc/04/40/24/569044024.db2.gz VTUCLTKAOPAPGG-UHFFFAOYSA-N -1 1 423.494 3.257 50 0 HGAAMM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc(OC)c1OC ZINC000137815757 569045237 /nfs/dbraw/zinc/04/52/37/569045237.db2.gz NLFRVEKCOFEQGO-KRWDZBQOSA-N -1 1 405.472 3.347 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000013022195 569051243 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403.364 3.024 50 0 HGAAMM O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000170597619 569242263 /nfs/dbraw/zinc/24/22/63/569242263.db2.gz RFAFXRCJUHWJLC-OAHLLOKOSA-N -1 1 411.771 3.042 50 0 HGAAMM CCC(CC)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000014242137 569259208 /nfs/dbraw/zinc/25/92/08/569259208.db2.gz NZNONYTYXBADGZ-QGZVFWFLSA-N -1 1 416.547 3.027 50 0 HGAAMM CCOc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1[O-] ZINC000007784048 569310176 /nfs/dbraw/zinc/31/01/76/569310176.db2.gz RGWQDAYIGCJDMN-UHFFFAOYSA-N -1 1 401.850 3.494 50 0 HGAAMM O=C(NC[C@@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067298535 571072463 /nfs/dbraw/zinc/07/24/63/571072463.db2.gz NMOJXMLYQZATBI-DYYXWGBJSA-N -1 1 408.410 3.008 50 0 HGAAMM COc1ccc(CN2CNc3c(c(=O)[n-]c(=S)n3CCc3ccccc3)C2)cc1 ZINC000009058964 571217089 /nfs/dbraw/zinc/21/70/89/571217089.db2.gz UUYUTZIRSYPMIT-UHFFFAOYSA-N -1 1 408.527 3.169 50 0 HGAAMM O=C(NC1CCCC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 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403.438 3.243 50 0 HGAAMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2)c(F)cc1Cl ZINC000240902775 568730651 /nfs/dbraw/zinc/73/06/51/568730651.db2.gz IVHFCIXZVLAKIU-INIZCTEOSA-N -1 1 415.870 3.322 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1F ZINC000012521448 568841800 /nfs/dbraw/zinc/84/18/00/568841800.db2.gz YQEJCNFUADWKFE-GASCZTMLSA-N -1 1 406.479 3.184 50 0 HGAAMM COc1ccccc1N1CCN(C(=O)Cn2c(=S)[n-]nc2-c2ccc(C)cc2)CC1 ZINC000012545264 568850259 /nfs/dbraw/zinc/85/02/59/568850259.db2.gz FWMRPFLTADXJPZ-UHFFFAOYSA-N -1 1 423.542 3.274 50 0 HGAAMM CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@H]2CCO[C@H]21 ZINC000230229550 568855965 /nfs/dbraw/zinc/85/59/65/568855965.db2.gz AQOZCTAHLRLDQE-GUDVDZBRSA-N -1 1 415.515 3.422 50 0 HGAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012584039 568865669 /nfs/dbraw/zinc/86/56/69/568865669.db2.gz BQBLZUDSKSCYMK-IRXDYDNUSA-N -1 1 402.516 3.354 50 0 HGAAMM Cc1n[n-]c(=S)n1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000012605016 568870840 /nfs/dbraw/zinc/87/08/40/568870840.db2.gz XZYMQHVLOAKMGJ-UHFFFAOYSA-N -1 1 417.516 3.051 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000003564308 568916097 /nfs/dbraw/zinc/91/60/97/568916097.db2.gz CJTHNKJIRKJYQA-UHFFFAOYSA-N -1 1 416.952 3.480 50 0 HGAAMM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000003569721 568916399 /nfs/dbraw/zinc/91/63/99/568916399.db2.gz IFUFLTJUDIEKCP-UHFFFAOYSA-N -1 1 424.478 3.189 50 0 HGAAMM O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000008388951 568996542 /nfs/dbraw/zinc/99/65/42/568996542.db2.gz RKHRADCVTDNIBT-UHFFFAOYSA-N -1 1 401.875 3.466 50 0 HGAAMM CC[C@H](C)NC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000008402072 569000991 /nfs/dbraw/zinc/00/09/91/569000991.db2.gz UDMFEWPQUVNBBE-WMLDXEAASA-N -1 1 416.547 3.027 50 0 HGAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cnn(C)c3)CC(=O)O4)c2=O)cc1 ZINC000085876881 569009660 /nfs/dbraw/zinc/00/96/60/569009660.db2.gz RUHBQTLPTOFIMF-OAHLLOKOSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cnn(C)c2)cc1 ZINC000085876881 569009661 /nfs/dbraw/zinc/00/96/61/569009661.db2.gz RUHBQTLPTOFIMF-OAHLLOKOSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c(C)c1 ZINC000015882160 569018979 /nfs/dbraw/zinc/01/89/79/569018979.db2.gz FFNHWXWUSIGRIW-UHFFFAOYSA-N -1 1 424.526 3.398 50 0 HGAAMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc(C(=O)OCC)c1 ZINC000006315254 569040241 /nfs/dbraw/zinc/04/02/41/569040241.db2.gz PUROAWLDBGUBFG-UHFFFAOYSA-N -1 1 405.472 3.458 50 0 HGAAMM O=C([O-])[C@H](c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035581150 569046092 /nfs/dbraw/zinc/04/60/92/569046092.db2.gz ULAGRRUPIPJJSS-YWZLYKJASA-N -1 1 421.453 3.343 50 0 HGAAMM COc1ccc(CN(C(=O)C2CCCCC2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791877 569095804 /nfs/dbraw/zinc/09/58/04/569095804.db2.gz XJGXRKHFKPKEBL-UHFFFAOYSA-N -1 1 409.490 3.157 50 0 HGAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)ccc21 ZINC000064861761 569110455 /nfs/dbraw/zinc/11/04/55/569110455.db2.gz ALHTYNITNZHXMM-UHFFFAOYSA-N -1 1 401.488 3.172 50 0 HGAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cc2NC1=O ZINC000006867667 569160041 /nfs/dbraw/zinc/16/00/41/569160041.db2.gz BAUWPHSOTKRUKM-INIZCTEOSA-N -1 1 408.501 3.327 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1OC ZINC000004884752 569255697 /nfs/dbraw/zinc/25/56/97/569255697.db2.gz GCTIJPORYSUQBR-UHFFFAOYSA-N -1 1 416.499 3.194 50 0 HGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1F ZINC000016981240 569270285 /nfs/dbraw/zinc/27/02/85/569270285.db2.gz RGKDRFRSQKGDDG-UHFFFAOYSA-N -1 1 419.407 3.178 50 0 HGAAMM Cc1ccc(NC(=O)C[C@H]2Cc3c(=O)[n-]c(N4CCC(C)CC4)nc3NC2=O)cc1C ZINC000253537623 569382951 /nfs/dbraw/zinc/38/29/51/569382951.db2.gz WRNOOLOGJBPSKD-MRXNPFEDSA-N -1 1 423.517 3.175 50 0 HGAAMM Cc1ccc(NC(=O)C[C@@H]2Cc3c(=O)[n-]c(N4CCC(C)CC4)nc3NC2=O)cc1C ZINC000253537622 569382971 /nfs/dbraw/zinc/38/29/71/569382971.db2.gz WRNOOLOGJBPSKD-INIZCTEOSA-N -1 1 423.517 3.175 50 0 HGAAMM O=C([N-]n1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc(Cl)cc1Cl ZINC000013036721 569407593 /nfs/dbraw/zinc/40/75/93/569407593.db2.gz HLTLAOBWNQESKR-UHFFFAOYSA-N -1 1 418.215 3.412 50 0 HGAAMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)OCCO2 ZINC000013090213 569408860 /nfs/dbraw/zinc/40/88/60/569408860.db2.gz ATXBSPVHADZIPO-UHFFFAOYSA-N -1 1 404.227 3.264 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C[C@H](C)O)c2)c1 ZINC000078869589 569420940 /nfs/dbraw/zinc/42/09/40/569420940.db2.gz MADAOQCEZKWKJE-WBVHZDCISA-N -1 1 404.532 3.241 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2ccccc2Cn2cccn2)c1 ZINC000010235255 571297891 /nfs/dbraw/zinc/29/78/91/571297891.db2.gz IUHIYMZELYYUJY-UHFFFAOYSA-N -1 1 418.526 3.477 50 0 HGAAMM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000005136581 132302771 /nfs/dbraw/zinc/30/27/71/132302771.db2.gz JJZZJXXYPZFEGX-UHFFFAOYSA-N -1 1 416.499 3.194 50 0 HGAAMM O=C(NCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)NC1CCCCC1 ZINC000032900379 527633074 /nfs/dbraw/zinc/63/30/74/527633074.db2.gz LMCPQHVKLHWYMT-UHFFFAOYSA-N -1 1 415.534 3.226 50 0 HGAAMM COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000009002240 557818599 /nfs/dbraw/zinc/81/85/99/557818599.db2.gz CAWGQTNRMQBFQQ-UHFFFAOYSA-N -1 1 400.250 3.265 50 0 HGAAMM C[C@@H]1CN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C[C@H](C)O1 ZINC000013569470 558541426 /nfs/dbraw/zinc/54/14/26/558541426.db2.gz GHCWLGOHHUXUIO-GASCZTMLSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM C[C@@H]1CN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)C[C@H](C)O1 ZINC000013569470 558541429 /nfs/dbraw/zinc/54/14/29/558541429.db2.gz GHCWLGOHHUXUIO-GASCZTMLSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2)c1)N1CC(=O)Nc2ccccc21 ZINC000013681557 558566778 /nfs/dbraw/zinc/56/67/78/558566778.db2.gz LKLQJLZLCMBGEO-UHFFFAOYSA-N -1 1 407.451 3.086 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1 ZINC000033274512 558764081 /nfs/dbraw/zinc/76/40/81/558764081.db2.gz HOKJCUGTGXOFMA-UHFFFAOYSA-N -1 1 415.515 3.002 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000016650949 558798082 /nfs/dbraw/zinc/79/80/82/558798082.db2.gz FQBRZYSZDGIFNZ-UXHICEINSA-N -1 1 402.516 3.171 50 0 HGAAMM CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000018069138 558830457 /nfs/dbraw/zinc/83/04/57/558830457.db2.gz GGWCLTKVHGEAQN-UHFFFAOYSA-N -1 1 409.467 3.344 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3[O-])cc2)cc1 ZINC000042891301 558831117 /nfs/dbraw/zinc/83/11/17/558831117.db2.gz LKFCYOJHFTVHMV-UHFFFAOYSA-N -1 1 410.451 3.436 50 0 HGAAMM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccco1 ZINC000033169903 558903215 /nfs/dbraw/zinc/90/32/15/558903215.db2.gz XDQFIBDNDGMNJS-SNVBAGLBSA-N -1 1 422.319 3.334 50 0 HGAAMM COc1cc(OC)c(-c2c3sc(=O)nc-3[nH]c3c2c(=O)[n-]n3C(C)C)cc1OC ZINC000072404805 558981565 /nfs/dbraw/zinc/98/15/65/558981565.db2.gz APQNPYROGOPTIQ-UHFFFAOYSA-N -1 1 416.459 3.314 50 0 HGAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2n(C)c1=O ZINC000011615482 559114607 /nfs/dbraw/zinc/11/46/07/559114607.db2.gz MEINECPIDHIUKY-UHFFFAOYSA-N -1 1 419.812 3.350 50 0 HGAAMM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100746137 559261951 /nfs/dbraw/zinc/26/19/51/559261951.db2.gz DQHHZDFTNOCULU-DOTOQJQBSA-N -1 1 402.237 3.317 50 0 HGAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N=c1[nH]c2ccccc2[nH]1 ZINC000017304474 560707239 /nfs/dbraw/zinc/70/72/39/560707239.db2.gz FBKIRWSLZWSUOA-UHFFFAOYSA-N -1 1 424.457 3.106 50 0 HGAAMM CCc1cc2c(COC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000017602541 560721032 /nfs/dbraw/zinc/72/10/32/560721032.db2.gz JDSOUZOXIBGRSN-CQSZACIVSA-N -1 1 409.438 3.313 50 0 HGAAMM CCc1ccc(-n2nc3c4cc(C(=O)NCCCOC)ccc4[n-]cc-3c2=O)cc1 ZINC000101827625 560802496 /nfs/dbraw/zinc/80/24/96/560802496.db2.gz DPGWTVJSAWWVDR-UHFFFAOYSA-N -1 1 404.470 3.147 50 0 HGAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)C(C)C)nn2c1=O ZINC000101878584 560804243 /nfs/dbraw/zinc/80/42/43/560804243.db2.gz LXRYYLNMCRYVPI-UHFFFAOYSA-N -1 1 411.506 3.266 50 0 HGAAMM O=C(COc1ccccc1Br)Nn1c(=O)c2sccc2[n-]c1=S ZINC000102922221 560834198 /nfs/dbraw/zinc/83/41/98/560834198.db2.gz SFIQXRARWCOENP-UHFFFAOYSA-N -1 1 412.290 3.032 50 0 HGAAMM Cc1cccc(C)c1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000051316680 560856503 /nfs/dbraw/zinc/85/65/03/560856503.db2.gz KRVHYEXRBDVPHN-UHFFFAOYSA-N -1 1 405.483 3.456 50 0 HGAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N(Cc1ccco1)Cc1ccco1 ZINC000047330694 560886126 /nfs/dbraw/zinc/88/61/26/560886126.db2.gz IXWHJJYIHFUGLV-UHFFFAOYSA-N -1 1 404.426 3.098 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074116 568426768 /nfs/dbraw/zinc/42/67/68/568426768.db2.gz ZAYHSCPKDXTYRN-NSHDSACASA-N -1 1 406.895 3.298 50 0 HGAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@H](C(=O)NC4CC4)C2)nc3=O)c1 ZINC000049421332 568450514 /nfs/dbraw/zinc/45/05/14/568450514.db2.gz KJCDLJZFEBYDTM-AWEZNQCLSA-N -1 1 424.526 3.155 50 0 HGAAMM C[C@H]1CCOCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000095462124 568621311 /nfs/dbraw/zinc/62/13/11/568621311.db2.gz OUZKQGMWIFYILZ-AWEZNQCLSA-N -1 1 408.907 3.392 50 0 HGAAMM O=C1[N-]C(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1 ZINC000229902688 568715808 /nfs/dbraw/zinc/71/58/08/568715808.db2.gz PFQSRJCZJHOWCJ-WMZHIEFXSA-N -1 1 423.900 3.172 50 0 HGAAMM COC(=O)CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000021970286 568764130 /nfs/dbraw/zinc/76/41/30/568764130.db2.gz GKMJUXQWRXJAII-UHFFFAOYSA-N -1 1 422.478 3.090 50 0 HGAAMM O=C(COC(=O)CCc1nc2ccccc2s1)[N-]C(=O)c1ccc(Cl)cc1 ZINC000002637792 568792906 /nfs/dbraw/zinc/79/29/06/568792906.db2.gz LAXIKFQGWZEUBR-UHFFFAOYSA-N -1 1 402.859 3.382 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000012521341 568841778 /nfs/dbraw/zinc/84/17/78/568841778.db2.gz FWYSUPOAQZVVLD-HZPDHXFCSA-N -1 1 418.515 3.136 50 0 HGAAMM CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@@H]2CCO[C@H]21 ZINC000230229543 568855859 /nfs/dbraw/zinc/85/58/59/568855859.db2.gz AQOZCTAHLRLDQE-IPMKNSEASA-N -1 1 415.515 3.422 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000031040676 568910584 /nfs/dbraw/zinc/91/05/84/568910584.db2.gz NXDYXSBCJIVTOH-MRXNPFEDSA-N -1 1 410.499 3.262 50 0 HGAAMM O=C(Nc1nnc(C2CC2)s1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012730954 568922360 /nfs/dbraw/zinc/92/23/60/568922360.db2.gz HTDRRYBEJVPPSO-UHFFFAOYSA-N -1 1 400.485 3.469 50 0 HGAAMM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000031720020 568929591 /nfs/dbraw/zinc/92/95/91/568929591.db2.gz JMNBWPJKAQQSOS-UHFFFAOYSA-N -1 1 402.350 3.343 50 0 HGAAMM Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000015669337 568960938 /nfs/dbraw/zinc/96/09/38/568960938.db2.gz HDMSOABLPARCHT-UHFFFAOYSA-N -1 1 420.288 3.309 50 0 HGAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cn1 ZINC000008018408 568968737 /nfs/dbraw/zinc/96/87/37/568968737.db2.gz FYKILJKUGVAJFE-UHFFFAOYSA-N -1 1 401.419 3.282 50 0 HGAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000015730546 568981132 /nfs/dbraw/zinc/98/11/32/568981132.db2.gz ZLXJCELWAYEYDK-LLVKDONJSA-N -1 1 406.485 3.097 50 0 HGAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc1 ZINC000015730814 568981375 /nfs/dbraw/zinc/98/13/75/568981375.db2.gz FOFJXBGYYOXOSK-NSHDSACASA-N -1 1 405.501 3.126 50 0 HGAAMM Cc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)cc1 ZINC000015732562 568982537 /nfs/dbraw/zinc/98/25/37/568982537.db2.gz FQJODOJGEKAAEF-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM CCCCNC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000008394858 568999197 /nfs/dbraw/zinc/99/91/97/568999197.db2.gz DZXFOSXDWWKLCI-KRWDZBQOSA-N -1 1 416.547 3.029 50 0 HGAAMM COc1cc2c(cc1OC)CN(C(=O)CCc1c(C)c3ccc([O-])cc3oc1=O)CC2 ZINC000012902555 569020658 /nfs/dbraw/zinc/02/06/58/569020658.db2.gz LJIWSGWLIAJXOS-UHFFFAOYSA-N -1 1 423.465 3.342 50 0 biogenic HGAAMM O=C(CN1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1)Nc1cccc(F)c1 ZINC000012938815 569028034 /nfs/dbraw/zinc/02/80/34/569028034.db2.gz NLOCZLWRGCZJTQ-UHFFFAOYSA-N -1 1 407.445 3.081 50 0 HGAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl ZINC000012983440 569047615 /nfs/dbraw/zinc/04/76/15/569047615.db2.gz MDQSRQNUECELBL-UHFFFAOYSA-N -1 1 408.863 3.054 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(OC)nc3)c2)cc1 ZINC000006509370 569061954 /nfs/dbraw/zinc/06/19/54/569061954.db2.gz QGAOHAIQYDLEIG-UHFFFAOYSA-N -1 1 413.455 3.152 50 0 HGAAMM CCCN(CCC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000064472382 569063566 /nfs/dbraw/zinc/06/35/66/569063566.db2.gz VAEUNFYRXSOZRG-UHFFFAOYSA-N -1 1 407.492 3.216 50 0 HGAAMM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)cc1 ZINC000064843839 569107697 /nfs/dbraw/zinc/10/76/97/569107697.db2.gz SPSGEMTXCQNSEO-CQSZACIVSA-N -1 1 403.504 3.379 50 0 HGAAMM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc2sc1=O ZINC000064947113 569129190 /nfs/dbraw/zinc/12/91/90/569129190.db2.gz GAPFTDCUWKPZMT-UHFFFAOYSA-N -1 1 408.501 3.291 50 0 HGAAMM CCN(Cc1ccccc1)C(=O)CSC1=Nc2cc(C)ccc2S(=O)(=O)[N-]1 ZINC000006918660 569181538 /nfs/dbraw/zinc/18/15/38/569181538.db2.gz BJLVXPAHFXZPPW-UHFFFAOYSA-N -1 1 403.529 3.247 50 0 HGAAMM O=C(NC1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000006920345 569181790 /nfs/dbraw/zinc/18/17/90/569181790.db2.gz MGZIKOCBMASRKL-UHFFFAOYSA-N -1 1 416.499 3.321 50 0 HGAAMM O=C(c1ccco1)N1CCN(c2nc(=O)c3scc(-c4ccc(F)cc4)c3[n-]2)CC1 ZINC000065314516 569223198 /nfs/dbraw/zinc/22/31/98/569223198.db2.gz IYLWMKQWVLBZBR-UHFFFAOYSA-N -1 1 424.457 3.346 50 0 HGAAMM O=C([C@@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000013696701 569257135 /nfs/dbraw/zinc/25/71/35/569257135.db2.gz FQBQYEMHUHFFQI-SFHVURJKSA-N -1 1 406.891 3.209 50 0 HGAAMM O=C([C@H]1CCCO1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000013696702 569257158 /nfs/dbraw/zinc/25/71/58/569257158.db2.gz FQBQYEMHUHFFQI-GOSISDBHSA-N -1 1 406.891 3.209 50 0 HGAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 ZINC000089661618 569262085 /nfs/dbraw/zinc/26/20/85/569262085.db2.gz ATZJEFYDIJJNNZ-UHFFFAOYSA-N -1 1 416.459 3.191 50 0 HGAAMM Cc1nncn1-c1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccc(C)c2)c1 ZINC000089678068 569262331 /nfs/dbraw/zinc/26/23/31/569262331.db2.gz MSNAEZVUQYFLLH-UHFFFAOYSA-N -1 1 405.487 3.444 50 0 HGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1nc2ccccc2s1 ZINC000016849619 569265649 /nfs/dbraw/zinc/26/56/49/569265649.db2.gz RRGARZCEQBMKBM-UHFFFAOYSA-N -1 1 408.487 3.062 50 0 HGAAMM Cn1c(SCC(=O)[N-]C(=O)c2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 ZINC000007653370 569298998 /nfs/dbraw/zinc/29/89/98/569298998.db2.gz NVYXDMXOLPIFOQ-UHFFFAOYSA-N -1 1 404.854 3.323 50 0 HGAAMM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000007729034 569303517 /nfs/dbraw/zinc/30/35/17/569303517.db2.gz NTDIQKCPPTUILI-UHFFFAOYSA-N -1 1 411.361 3.390 50 0 HGAAMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(Cl)c1 ZINC000328594134 569415586 /nfs/dbraw/zinc/41/55/86/569415586.db2.gz TZERGCKPSDTVEQ-UHFFFAOYSA-N -1 1 408.785 3.427 50 0 HGAAMM CCCCN(C)C(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291522 571067288 /nfs/dbraw/zinc/06/72/88/571067288.db2.gz WGNYLCGTOYHLFZ-UHFFFAOYSA-N -1 1 418.538 3.230 50 0 HGAAMM COC(=O)c1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067298562 571072405 /nfs/dbraw/zinc/07/24/05/571072405.db2.gz HVBXTZGEOIYYII-UEAMBXKFSA-N -1 1 422.437 3.066 50 0 HGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1F ZINC000067298870 571072967 /nfs/dbraw/zinc/07/29/67/571072967.db2.gz SXUDRDQQVUEAFD-NOAXNCOGSA-N -1 1 412.417 3.427 50 0 HGAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4csnn4)cc3)cc2C[C@@H]1C ZINC000040158010 571204715 /nfs/dbraw/zinc/20/47/15/571204715.db2.gz MPEHQGSJLHOVIK-LBPRGKRZSA-N -1 1 414.512 3.303 50 0 HGAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1ccccn1 ZINC000009060880 571217410 /nfs/dbraw/zinc/21/74/10/571217410.db2.gz LBULICDIWKVVGB-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccccn1 ZINC000009060880 571217413 /nfs/dbraw/zinc/21/74/13/571217413.db2.gz LBULICDIWKVVGB-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM CCOc1ccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)cc1 ZINC000009530200 571266768 /nfs/dbraw/zinc/26/67/68/571266768.db2.gz HBOBNZKWFCOPHV-UHFFFAOYSA-N -1 1 405.501 3.236 50 0 HGAAMM COC(=O)c1ccc(CSc2nnc([N-]C(=O)c3snnc3C)s2)cc1 ZINC000070634967 571270277 /nfs/dbraw/zinc/27/02/77/571270277.db2.gz PSLHFYXYTYVAHE-UHFFFAOYSA-N -1 1 407.502 3.029 50 0 HGAAMM O=C(CSc1nnc([N-]C(=O)c2cc(C3CC3)on2)s1)OCc1ccccc1 ZINC000070635125 571270287 /nfs/dbraw/zinc/27/02/87/571270287.db2.gz FSONBUTZGVXMRV-UHFFFAOYSA-N -1 1 416.484 3.491 50 0 HGAAMM COc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)ccc1NC(C)=O ZINC000007056734 132322174 /nfs/dbraw/zinc/32/21/74/132322174.db2.gz WUQRZOGSAUJKTR-UHFFFAOYSA-N -1 1 403.504 3.445 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc(OC)c1 ZINC000009406954 132339323 /nfs/dbraw/zinc/33/93/23/132339323.db2.gz CVDZJJADORPENB-LBPRGKRZSA-N -1 1 422.528 3.352 50 0 HGAAMM CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000032898966 519682067 /nfs/dbraw/zinc/68/20/67/519682067.db2.gz ZQFJRONFCLHHRY-QFIPXVFZSA-N -1 1 408.498 3.389 50 0 HGAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)c1C ZINC000000631058 557026426 /nfs/dbraw/zinc/02/64/26/557026426.db2.gz VTWVTWLXEFDPMP-UHFFFAOYSA-N -1 1 415.559 3.109 50 0 HGAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000003189811 557454296 /nfs/dbraw/zinc/45/42/96/557454296.db2.gz BRJNFERKOINKQG-UHFFFAOYSA-N -1 1 400.250 3.347 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccncc1)C(C(=O)OCC)=C(C)N2 ZINC000004292286 557536854 /nfs/dbraw/zinc/53/68/54/557536854.db2.gz ALATWYFGVCUARC-OAHLLOKOSA-N -1 1 400.504 3.452 50 0 HGAAMM CC[C@@H](Sc1nc(N)cc(=O)[n-]1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 ZINC000004911117 557612487 /nfs/dbraw/zinc/61/24/87/557612487.db2.gz PUZFFICWDJOMIG-GFCCVEGCSA-N -1 1 401.517 3.293 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccncc3)cc2)cc1 ZINC000006024017 557684642 /nfs/dbraw/zinc/68/46/42/557684642.db2.gz WMSMMTGFSHJDSP-UHFFFAOYSA-N -1 1 409.511 3.440 50 0 HGAAMM C[C@@H](C(=O)Nn1c(=O)c2ccccc2[n-]c1=S)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002791407 557764065 /nfs/dbraw/zinc/76/40/65/557764065.db2.gz PHHKQZYMUHHVIB-VIFPVBQESA-N -1 1 423.420 3.109 50 0 HGAAMM Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)c4cccs4)cc3)cc21 ZINC000008783075 557808616 /nfs/dbraw/zinc/80/86/16/557808616.db2.gz VZTVDRYHZFYGSU-UHFFFAOYSA-N -1 1 414.464 3.225 50 0 HGAAMM COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)c1OC ZINC000008952528 557816178 /nfs/dbraw/zinc/81/61/78/557816178.db2.gz ILHBMHYHVSHZRJ-CQSZACIVSA-N -1 1 421.379 3.201 50 0 HGAAMM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853624 557840131 /nfs/dbraw/zinc/84/01/31/557840131.db2.gz IIHUAEOOGYULKX-MRXNPFEDSA-N -1 1 418.494 3.172 50 0 HGAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)NC(C)C)c21 ZINC000011785311 558275848 /nfs/dbraw/zinc/27/58/48/558275848.db2.gz LFCCUVXVXZKZHO-UHFFFAOYSA-N -1 1 400.504 3.304 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Oc1ccc(Cl)cc1 ZINC000021885396 558453966 /nfs/dbraw/zinc/45/39/66/558453966.db2.gz FLQZKDICKWDGHI-UHFFFAOYSA-N -1 1 412.858 3.436 50 0 HGAAMM CCc1ccc(OC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000021885400 558454052 /nfs/dbraw/zinc/45/40/52/558454052.db2.gz BYWYKQSDGAMVHA-UHFFFAOYSA-N -1 1 406.467 3.345 50 0 HGAAMM CCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000021921945 558455311 /nfs/dbraw/zinc/45/53/11/558455311.db2.gz HLDDIMCJZMXDQN-UHFFFAOYSA-N -1 1 403.552 3.069 50 0 HGAAMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1ccccc1-c1cccs1 ZINC000023191177 558541900 /nfs/dbraw/zinc/54/19/00/558541900.db2.gz LFAXVFBBLBOVTE-UHFFFAOYSA-N -1 1 424.526 3.215 50 0 HGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013725484 558583895 /nfs/dbraw/zinc/58/38/95/558583895.db2.gz FXAXITHEIHDRPU-UHFFFAOYSA-N -1 1 403.442 3.289 50 0 HGAAMM CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000013939740 558604017 /nfs/dbraw/zinc/60/40/17/558604017.db2.gz MJVKQQAOMQBSBK-OVCLIPMQSA-N -1 1 416.817 3.196 50 0 HGAAMM COc1cccc(NC(=O)Cc2sc(CC(=O)Nc3ccccc3C)nc2[O-])c1 ZINC000015525453 558742405 /nfs/dbraw/zinc/74/24/05/558742405.db2.gz VIMJJFPCCGAUSI-KRWDZBQOSA-N -1 1 411.483 3.402 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000016131116 558773154 /nfs/dbraw/zinc/77/31/54/558773154.db2.gz MIOAXTYQPIPOIA-UHFFFAOYSA-N -1 1 418.487 3.105 50 0 HGAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000100821749 558797940 /nfs/dbraw/zinc/79/79/40/558797940.db2.gz PIDMLZYQPPLLEY-QGZVFWFLSA-N -1 1 420.494 3.462 50 0 HGAAMM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nn[n-]n1 ZINC000016741966 558803885 /nfs/dbraw/zinc/80/38/85/558803885.db2.gz NBOPMFGEZRPRAV-AWEZNQCLSA-N -1 1 414.208 3.363 50 0 HGAAMM O=C(Nn1c(=S)[n-]c2sc3c(c2c1=O)CCCC3)c1ccc2c(c1)OCO2 ZINC000017082199 558814172 /nfs/dbraw/zinc/81/41/72/558814172.db2.gz HNQGHVAFUUATLY-UHFFFAOYSA-N -1 1 401.469 3.112 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(C)=O)sc3c2)cc1OC ZINC000033007587 558828552 /nfs/dbraw/zinc/82/85/52/558828552.db2.gz SGDZWKJDNIHORH-UHFFFAOYSA-N -1 1 407.473 3.073 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCC(O)CC3)cc2)c1C ZINC000033028108 558851640 /nfs/dbraw/zinc/85/16/40/558851640.db2.gz UQSMUXYUNOKKQK-UHFFFAOYSA-N -1 1 402.516 3.138 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc(OC)c1OC ZINC000033171225 558899909 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O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCC1CCOCC1 ZINC000096114241 568694034 /nfs/dbraw/zinc/69/40/34/568694034.db2.gz QQQOCGFKNROXSQ-UHFFFAOYSA-N -1 1 409.438 3.087 50 0 biogenic HGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCC1CCOCC1 ZINC000096114241 568694037 /nfs/dbraw/zinc/69/40/37/568694037.db2.gz QQQOCGFKNROXSQ-UHFFFAOYSA-N -1 1 409.438 3.087 50 0 biogenic HGAAMM COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)[nH][n-]c1Cc1ccc(OC(F)(F)F)cc1 ZINC000096230816 568706768 /nfs/dbraw/zinc/70/67/68/568706768.db2.gz NQWMLXHYGKTPNO-AWEZNQCLSA-N -1 1 424.379 3.033 50 0 HGAAMM O=C(Nn1c(=O)c2ccccc2[n-]c1=S)c1cccc(OC(F)(F)C(F)F)c1 ZINC000002730680 568804668 /nfs/dbraw/zinc/80/46/68/568804668.db2.gz AALNBVSBAMICGF-UHFFFAOYSA-N -1 1 413.352 3.306 50 0 HGAAMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c1C ZINC000012548601 568851750 /nfs/dbraw/zinc/85/17/50/568851750.db2.gz NLVOTRXVJLYXMQ-UHFFFAOYSA-N -1 1 418.500 3.082 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C 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569407647 /nfs/dbraw/zinc/40/76/47/569407647.db2.gz RQZFOMFPODTPPL-UHFFFAOYSA-N -1 1 418.215 3.412 50 0 HGAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)ccc1F ZINC000008768525 571116380 /nfs/dbraw/zinc/11/63/80/571116380.db2.gz YKWNCFHPBPRNOU-UHFFFAOYSA-N -1 1 418.899 3.128 50 0 HGAAMM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(Nc2nc3ccccc3o2)n1 ZINC000039403996 571132169 /nfs/dbraw/zinc/13/21/69/571132169.db2.gz WPAGQERSNQNZQJ-UHFFFAOYSA-N -1 1 403.446 3.410 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1F ZINC000008977083 571197794 /nfs/dbraw/zinc/19/77/94/571197794.db2.gz ONXAZEWYHQEROC-UHFFFAOYSA-N -1 1 406.479 3.176 50 0 HGAAMM Cc1cc(Cl)ccc1OCC(=O)Nc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000009164647 571232520 /nfs/dbraw/zinc/23/25/20/571232520.db2.gz ZBYYFYCYSDFLAP-UHFFFAOYSA-N -1 1 409.833 3.476 50 0 HGAAMM CCOC(=O)C1=C(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)[N-]c2ccccc2N=C1C ZINC000009508522 571263899 /nfs/dbraw/zinc/26/38/99/571263899.db2.gz QPDMULSBXFTOLC-UHFFFAOYSA-N -1 1 424.457 3.141 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)c1 ZINC000009668800 571278333 /nfs/dbraw/zinc/27/83/33/571278333.db2.gz XHWJAZVSKGMLTH-UHFFFAOYSA-N -1 1 412.515 3.121 50 0 HGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000009344269 132338926 /nfs/dbraw/zinc/33/89/26/132338926.db2.gz XNEDVDNOUWGHLD-UHFFFAOYSA-N -1 1 410.445 3.228 50 0 HGAAMM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N([C@H](C)CCc2ccccc2)C1=O ZINC000016993831 132464619 /nfs/dbraw/zinc/46/46/19/132464619.db2.gz XKZHFSRLQGIMQN-MZNJEOGPSA-N -1 1 405.498 3.073 50 0 HGAAMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000032759708 519978842 /nfs/dbraw/zinc/97/88/42/519978842.db2.gz LEQIVRPUBBAEFZ-UHFFFAOYSA-N -1 1 404.513 3.329 50 0 HGAAMM COc1cc(NC(=O)c2cc(F)ccc2Br)ccc1[N-]S(C)(=O)=O ZINC000032818605 522720630 /nfs/dbraw/zinc/72/06/30/522720630.db2.gz VSCNVQUZJCUBDI-UHFFFAOYSA-N -1 1 417.256 3.221 50 0 HGAAMM Cc1cc(C(=O)[N-]c2nnc(SCC(=O)N3CCCc4ccccc43)s2)no1 ZINC000042379163 524187869 /nfs/dbraw/zinc/18/78/69/524187869.db2.gz HWEYQYQWAUUUOH-UHFFFAOYSA-N -1 1 415.500 3.158 50 0 HGAAMM COc1ccc(OC)c([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040310115 524920476 /nfs/dbraw/zinc/92/04/76/524920476.db2.gz UCDLBQQWYIIOBV-FQEVSTJZSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccco1 ZINC000001118493 557189062 /nfs/dbraw/zinc/18/90/62/557189062.db2.gz OHXCNXHWBKRVKW-UHFFFAOYSA-N -1 1 401.469 3.207 50 0 HGAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccncc1 ZINC000004292283 557536769 /nfs/dbraw/zinc/53/67/69/557536769.db2.gz LUYHKBBUZIPCGD-OAHLLOKOSA-N -1 1 400.504 3.308 50 0 HGAAMM COc1ccc(OC)c(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nn[n-]n2)c1 ZINC000005483515 557656551 /nfs/dbraw/zinc/65/65/51/557656551.db2.gz LPJLKLIEXZSNMS-GOSISDBHSA-N -1 1 403.442 3.335 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccccn3)cc2)cc1 ZINC000006498146 557705465 /nfs/dbraw/zinc/70/54/65/557705465.db2.gz JDNSQNBSRZQDAS-UHFFFAOYSA-N -1 1 409.511 3.440 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc(I)cc2)cc(OC)c1 ZINC000008834385 557811413 /nfs/dbraw/zinc/81/14/13/557811413.db2.gz MABFTGNHWQGXEW-UHFFFAOYSA-N -1 1 419.240 3.109 50 0 HGAAMM Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]c(=O)c1CCO ZINC000011905714 558296100 /nfs/dbraw/zinc/29/61/00/558296100.db2.gz CLUILWSFEINNDI-UHFFFAOYSA-N -1 1 421.828 3.016 50 0 HGAAMM CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000010748695 558436279 /nfs/dbraw/zinc/43/62/79/558436279.db2.gz PDFHYANYEWPHKO-UHFFFAOYSA-N -1 1 412.511 3.303 50 0 HGAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)NC1CCCC1 ZINC000021526175 558440517 /nfs/dbraw/zinc/44/05/17/558440517.db2.gz RPTKHNPFZZZWGB-UHFFFAOYSA-N -1 1 416.522 3.031 50 0 HGAAMM Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)cc1 ZINC000012791897 558466012 /nfs/dbraw/zinc/46/60/12/558466012.db2.gz DYLFAKYUWUKKHN-UHFFFAOYSA-N -1 1 403.482 3.250 50 0 HGAAMM O=C1[N-]C(=O)[C@@]2(Cc3c(Cl)cccc3N3CCC[C@H]32)C(=O)N1CCc1ccccc1 ZINC000013576841 558543873 /nfs/dbraw/zinc/54/38/73/558543873.db2.gz PFQSRJCZJHOWCJ-CVDCTZTESA-N -1 1 423.900 3.172 50 0 HGAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccccc1OC(F)F ZINC000029065676 558709268 /nfs/dbraw/zinc/70/92/68/558709268.db2.gz FDXJHXCVFRFPPE-UHFFFAOYSA-N -1 1 412.414 3.030 50 0 HGAAMM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OCC(=O)[O-])c(OC)c1)NCC2 ZINC000004577247 558751087 /nfs/dbraw/zinc/75/10/87/558751087.db2.gz OLBLALJILDGNIY-JOCHJYFZSA-N -1 1 401.459 3.191 50 0 biogenic HGAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c1 ZINC000033115545 558761811 /nfs/dbraw/zinc/76/18/11/558761811.db2.gz OVGBERYLQHPXLF-UHFFFAOYSA-N -1 1 402.516 3.300 50 0 HGAAMM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)CC1 ZINC000033274843 558764581 /nfs/dbraw/zinc/76/45/81/558764581.db2.gz QBXFQWHFNBHMAH-UHFFFAOYSA-N -1 1 402.516 3.444 50 0 HGAAMM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N([C@H](C)CCc2ccccc2)C1=O ZINC000016993834 558811125 /nfs/dbraw/zinc/81/11/25/558811125.db2.gz XKZHFSRLQGIMQN-OSPHWJPCSA-N -1 1 405.498 3.073 50 0 HGAAMM CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccnc1 ZINC000017296856 558826577 /nfs/dbraw/zinc/82/65/77/558826577.db2.gz JKCITCZQIFAOKA-HNNXBMFYSA-N -1 1 400.504 3.308 50 0 HGAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C)s1 ZINC000033007758 558828707 /nfs/dbraw/zinc/82/87/07/558828707.db2.gz SWKOZHQDEQOMBJ-UHFFFAOYSA-N -1 1 418.500 3.322 50 0 HGAAMM CC(=O)Nc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078675 558868143 /nfs/dbraw/zinc/86/81/43/558868143.db2.gz MEDPFSCUBUFMES-UHFFFAOYSA-N -1 1 417.893 3.198 50 0 HGAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCC1 ZINC000033277517 559040864 /nfs/dbraw/zinc/04/08/64/559040864.db2.gz TVDHAUCHJZUJFC-UHFFFAOYSA-N -1 1 402.516 3.062 50 0 HGAAMM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000005121082 559247784 /nfs/dbraw/zinc/24/77/84/559247784.db2.gz SMQKWMUHMDVTTF-UHFFFAOYSA-N -1 1 416.952 3.480 50 0 HGAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000005126636 559248377 /nfs/dbraw/zinc/24/83/77/559248377.db2.gz PUFMIKDMHJSAHU-UHFFFAOYSA-N -1 1 408.545 3.395 50 0 HGAAMM COC(=O)C1=C(C)Nc2[nH]c(=S)[n-]c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000005500532 560598478 /nfs/dbraw/zinc/59/84/78/560598478.db2.gz VJJMZOPDBUYEDV-LLVKDONJSA-N -1 1 408.277 3.199 50 0 HGAAMM COc1ccc(C2=NOC3=C([O-])N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1OC ZINC000101305953 560791301 /nfs/dbraw/zinc/79/13/01/560791301.db2.gz IJSZYXIPCQHLOG-WBVHZDCISA-N -1 1 421.236 3.303 50 0 HGAAMM COc1cccc(C(=O)C=C([O-])C(=O)Nc2ccccc2I)c1 ZINC000101354983 560792272 /nfs/dbraw/zinc/79/22/72/560792272.db2.gz CJMRAZWSCCPIEM-UHFFFAOYSA-N -1 1 423.206 3.080 50 0 HGAAMM CN1C(=O)NC(=O)C(=C([O-])C=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000101403789 560793785 /nfs/dbraw/zinc/79/37/85/560793785.db2.gz QVRMHVHZCLXRQY-SEKJBOIESA-N -1 1 401.422 3.223 50 0 HGAAMM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101494898 560796137 /nfs/dbraw/zinc/79/61/37/560796137.db2.gz AAPAJAFOQYKDGQ-KRWDZBQOSA-N -1 1 409.467 3.146 50 0 HGAAMM Cc1ccc(CN(C(=O)c2ccc(F)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860811 560804082 /nfs/dbraw/zinc/80/40/82/560804082.db2.gz IJTMZFOBAIIAIE-UHFFFAOYSA-N -1 1 405.433 3.329 50 0 HGAAMM CCOc1ccc(CN(C(=O)c2ccccc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101878060 560804238 /nfs/dbraw/zinc/80/42/38/560804238.db2.gz IVXKVPCUVWSGMQ-UHFFFAOYSA-N -1 1 417.469 3.280 50 0 HGAAMM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2C2CCCC2)cc1Cl ZINC000102796618 560827833 /nfs/dbraw/zinc/82/78/33/560827833.db2.gz PLXXOKADBQCTHJ-UHFFFAOYSA-N -1 1 409.895 3.457 50 0 HGAAMM COc1ccccc1CN(C(=O)c1ccccc1C)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101860943 560852447 /nfs/dbraw/zinc/85/24/47/560852447.db2.gz BMADKWZDXHDYQI-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2)c1ccccc1 ZINC000012129787 560889864 /nfs/dbraw/zinc/88/98/64/560889864.db2.gz HZHYWWYXEOJFMH-INIZCTEOSA-N -1 1 403.486 3.454 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1OC ZINC000046017563 568423728 /nfs/dbraw/zinc/42/37/28/568423728.db2.gz NWPXJKZWOXUTDF-UHFFFAOYSA-N -1 1 408.501 3.462 50 0 HGAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1 ZINC000046053841 568425628 /nfs/dbraw/zinc/42/56/28/568425628.db2.gz GIRXUVWNVHASFE-UHFFFAOYSA-N -1 1 400.456 3.410 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046074242 568426868 /nfs/dbraw/zinc/42/68/68/568426868.db2.gz DEVPBLBFCPOFMH-AWEZNQCLSA-N -1 1 400.504 3.343 50 0 HGAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074662 568426948 /nfs/dbraw/zinc/42/69/48/568426948.db2.gz QGMBPNCWNYSXFU-INIZCTEOSA-N -1 1 420.494 3.435 50 0 HGAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NC4CC4)C2)nc3=O)c1 ZINC000049421333 568450598 /nfs/dbraw/zinc/45/05/98/568450598.db2.gz KJCDLJZFEBYDTM-CQSZACIVSA-N -1 1 424.526 3.155 50 0 HGAAMM C[C@@H]1CCOCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000095462123 568621254 /nfs/dbraw/zinc/62/12/54/568621254.db2.gz OUZKQGMWIFYILZ-CQSZACIVSA-N -1 1 408.907 3.392 50 0 HGAAMM O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000028818059 568639300 /nfs/dbraw/zinc/63/93/00/568639300.db2.gz NFXMMTLPENXMDY-UHFFFAOYSA-N -1 1 412.423 3.174 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc(OC)c1OC ZINC000021111229 568668288 /nfs/dbraw/zinc/66/82/88/568668288.db2.gz HIITZFPUHWCWSZ-UHFFFAOYSA-N -1 1 404.444 3.477 50 0 HGAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc(O)c(OC)c1 ZINC000096115003 568694655 /nfs/dbraw/zinc/69/46/55/568694655.db2.gz OJRHUIRROVTQQN-INIZCTEOSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM O=C(NCc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012552166 568853610 /nfs/dbraw/zinc/85/36/10/568853610.db2.gz MPCSJWPQFXJJMA-UHFFFAOYSA-N -1 1 424.478 3.189 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1C ZINC000012604823 568870852 /nfs/dbraw/zinc/87/08/52/568870852.db2.gz AKYZKBWYHPTSJQ-UHFFFAOYSA-N -1 1 408.907 3.230 50 0 HGAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCOCC2CC2)cc1 ZINC000012605472 568871017 /nfs/dbraw/zinc/87/10/17/568871017.db2.gz ULPUMXYGYPHASZ-UHFFFAOYSA-N -1 1 402.516 3.342 50 0 HGAAMM O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000031534703 568927740 /nfs/dbraw/zinc/92/77/40/568927740.db2.gz NHPNTIJTBSFKSW-UHFFFAOYSA-N -1 1 424.404 3.170 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1 ZINC000015730422 568980902 /nfs/dbraw/zinc/98/09/02/568980902.db2.gz ODYKNAJFOOXWEG-GFCCVEGCSA-N -1 1 420.512 3.487 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)cc(OC)c1 ZINC000015730650 568981106 /nfs/dbraw/zinc/98/11/06/568981106.db2.gz BIWKQSROXDWIIL-NSHDSACASA-N -1 1 408.501 3.185 50 0 HGAAMM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2S1 ZINC000015730903 568981585 /nfs/dbraw/zinc/98/15/85/568981585.db2.gz CFUKEHNCWXZSOH-NSHDSACASA-N -1 1 406.485 3.081 50 0 HGAAMM CC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000008315535 568990103 /nfs/dbraw/zinc/99/01/03/568990103.db2.gz YKMSOWDHSZAFSH-WMLDXEAASA-N -1 1 416.547 3.027 50 0 HGAAMM O=C(NCc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006167907 569016163 /nfs/dbraw/zinc/01/61/63/569016163.db2.gz PINMWEWCYHKGIY-UHFFFAOYSA-N -1 1 403.410 3.091 50 0 HGAAMM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000035397360 569034822 /nfs/dbraw/zinc/03/48/22/569034822.db2.gz AOCKZRFOLZGVPE-UHFFFAOYSA-N -1 1 415.446 3.356 50 0 HGAAMM CSc1nc(C)c(CCC(=O)NCCc2csc(-c3ccccc3)n2)c(=O)[n-]1 ZINC000089499563 569061502 /nfs/dbraw/zinc/06/15/02/569061502.db2.gz LDQSYOMXZJOFOV-UHFFFAOYSA-N -1 1 414.556 3.215 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)C)C(=O)[C@@H](C)O3)cc1F ZINC000035886842 569064670 /nfs/dbraw/zinc/06/46/70/569064670.db2.gz JFTXDXFECFSMPA-CQSZACIVSA-N -1 1 406.479 3.453 50 0 HGAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000054294889 569070039 /nfs/dbraw/zinc/07/00/39/569070039.db2.gz MQFOEDFNKKNIAD-UHFFFAOYSA-N -1 1 414.277 3.194 50 0 HGAAMM C[C@@H]1CCCCN1C(=O)COC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000006623436 569075065 /nfs/dbraw/zinc/07/50/65/569075065.db2.gz WYGDOCHJTHSKLH-MRXNPFEDSA-N -1 1 416.499 3.045 50 0 HGAAMM COc1ccccc1CN(C(=O)c1ccc(F)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791896 569095774 /nfs/dbraw/zinc/09/57/74/569095774.db2.gz DMXXWKLJQHWQFO-UHFFFAOYSA-N -1 1 421.432 3.029 50 0 HGAAMM Cc1nc2[n-]c(N(Cc3ccc(F)cc3)C(=O)c3ccccc3F)nn2c(=O)c1C ZINC000064791840 569095837 /nfs/dbraw/zinc/09/58/37/569095837.db2.gz PISZKGCWDBCTSE-UHFFFAOYSA-N -1 1 409.396 3.160 50 0 HGAAMM CCCCN(CC)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1 ZINC000064843943 569107720 /nfs/dbraw/zinc/10/77/20/569107720.db2.gz QOIMAXJRYRDCQR-UHFFFAOYSA-N -1 1 407.492 3.216 50 0 HGAAMM CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc([N-]C(=O)c2ccco2)s1 ZINC000006818401 569138319 /nfs/dbraw/zinc/13/83/19/569138319.db2.gz VFIXBSQUAVVLIT-UHFFFAOYSA-N -1 1 406.489 3.215 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Nc1ccccc1Cl ZINC000006915615 569182172 /nfs/dbraw/zinc/18/21/72/569182172.db2.gz KVAXVPNEUKJOFD-UHFFFAOYSA-N -1 1 411.874 3.469 50 0 HGAAMM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Br)s1 ZINC000065183616 569191098 /nfs/dbraw/zinc/19/10/98/569191098.db2.gz IFSZXMSWBKUZOE-UHFFFAOYSA-N -1 1 401.311 3.279 50 0 HGAAMM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3C)c(C)n2C)o1 ZINC000065186533 569192060 /nfs/dbraw/zinc/19/20/60/569192060.db2.gz LAYMHLIXKDCVTD-UHFFFAOYSA-N -1 1 404.492 3.372 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COc2ccc3ccccc3c2)n1 ZINC000007420372 569237501 /nfs/dbraw/zinc/23/75/01/569237501.db2.gz PRESIIPHJDAVQJ-UHFFFAOYSA-N -1 1 417.469 3.387 50 0 HGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)[n-]c1=O ZINC000007422124 569237606 /nfs/dbraw/zinc/23/76/06/569237606.db2.gz RIKCINUVSVEIGA-UHFFFAOYSA-N -1 1 409.490 3.276 50 0 HGAAMM CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2)nn1 ZINC000007428233 569238483 /nfs/dbraw/zinc/23/84/83/569238483.db2.gz BENXIMXCDRNPCA-UHFFFAOYSA-N -1 1 417.512 3.046 50 0 HGAAMM Cc1ccc(NC(=O)COC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(Cl)c1 ZINC000170616582 569247475 /nfs/dbraw/zinc/24/74/75/569247475.db2.gz PDCROFVKSURKGY-UHFFFAOYSA-N -1 1 403.797 3.474 50 0 HGAAMM CC(=O)N[C@H](C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)C(C)C ZINC000027736712 569392026 /nfs/dbraw/zinc/39/20/26/569392026.db2.gz HWWNFTRLRNOGEX-SFHVURJKSA-N -1 1 423.922 3.240 50 0 HGAAMM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@@H]23)c1 ZINC000008487221 571055512 /nfs/dbraw/zinc/05/55/12/571055512.db2.gz WGXAYLOIOLKDDP-FPOVZHCZSA-N -1 1 402.406 3.150 50 0 HGAAMM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2CCC1=O ZINC000008840839 571124099 /nfs/dbraw/zinc/12/40/99/571124099.db2.gz YCCBJODEVDFUFH-UHFFFAOYSA-N -1 1 416.499 3.194 50 0 HGAAMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000040071336 571152030 /nfs/dbraw/zinc/15/20/30/571152030.db2.gz MLWWRCDYOCXZMJ-UHFFFAOYSA-N -1 1 400.431 3.304 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c(C)nn(C(C)(C)C)c2C)c1 ZINC000040144925 571195012 /nfs/dbraw/zinc/19/50/12/571195012.db2.gz VQHVRLOQAHAHAB-UHFFFAOYSA-N -1 1 422.551 3.243 50 0 HGAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2cccc(C)c2)c1=O ZINC000008994392 571208292 /nfs/dbraw/zinc/20/82/92/571208292.db2.gz LXTDJZNSAGXKHD-OAQYLSRUSA-N -1 1 416.481 3.401 50 0 biogenic HGAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccc[nH]1 ZINC000009220144 571238130 /nfs/dbraw/zinc/23/81/30/571238130.db2.gz SUNVMIKILBJGQS-UHFFFAOYSA-N -1 1 413.455 3.229 50 0 HGAAMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000009508676 571263930 /nfs/dbraw/zinc/26/39/30/571263930.db2.gz MNYGMMRLWCAVDC-UHFFFAOYSA-N -1 1 417.256 3.356 50 0 HGAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000009641233 571275724 /nfs/dbraw/zinc/27/57/24/571275724.db2.gz DXGIDCKSYXNYRW-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000007069323 132322343 /nfs/dbraw/zinc/32/23/43/132322343.db2.gz CORYYMVCUUAJEE-UHFFFAOYSA-N -1 1 423.542 3.355 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc(OC)c1OC ZINC000011906606 132351887 /nfs/dbraw/zinc/35/18/87/132351887.db2.gz CLEJSLBLNJKFBH-UHFFFAOYSA-N -1 1 420.487 3.030 50 0 HGAAMM CCOc1ccc(-c2nc(CSc3nc(C)c(CCO)c(=O)[n-]3)c(C)o2)cc1 ZINC000045924649 520818181 /nfs/dbraw/zinc/81/81/81/520818181.db2.gz RVUXFCGTCAWLAK-UHFFFAOYSA-N -1 1 401.488 3.268 50 0 HGAAMM COc1ccc(OC)c([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000040310111 524900282 /nfs/dbraw/zinc/90/02/82/524900282.db2.gz UCDLBQQWYIIOBV-HXUWFJFHSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM Cc1ccccc1C(=O)N[C@H](CC(C)C)c1n[n-]c(=S)n1CCN1CCOCC1 ZINC000032934882 525060997 /nfs/dbraw/zinc/06/09/97/525060997.db2.gz UMQSXVXAEDPHMU-GOSISDBHSA-N -1 1 417.579 3.099 50 0 HGAAMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2N1 ZINC000032895080 527015097 /nfs/dbraw/zinc/01/50/97/527015097.db2.gz SATVZLVDFALPOV-UHFFFAOYSA-N -1 1 406.769 3.491 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3cccnc3)cc2)cc1 ZINC000000667667 557046875 /nfs/dbraw/zinc/04/68/75/557046875.db2.gz YOIIAPXNVSBCRA-UHFFFAOYSA-N -1 1 409.511 3.440 50 0 HGAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000003194127 557455013 /nfs/dbraw/zinc/45/50/13/557455013.db2.gz UWELZVDJGAQVIM-UHFFFAOYSA-N -1 1 400.250 3.347 50 0 HGAAMM CC(=O)N[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1 ZINC000012462426 558419357 /nfs/dbraw/zinc/41/93/57/558419357.db2.gz MIUDDDVGWJDXKA-HNNXBMFYSA-N -1 1 415.515 3.120 50 0 HGAAMM COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000012463099 558419621 /nfs/dbraw/zinc/41/96/21/558419621.db2.gz GSSMZDUIYCDSFR-QMHWCDLVSA-N -1 1 407.470 3.126 50 0 HGAAMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000013149423 558523656 /nfs/dbraw/zinc/52/36/56/558523656.db2.gz MPXSHNDHBAVVIB-SECBINFHSA-N -1 1 417.270 3.028 50 0 HGAAMM Cc1nc2[n-]cnn2c(=O)c1CCC(=O)Nc1ccc(Br)cc1Cl ZINC000013691419 558573351 /nfs/dbraw/zinc/57/33/51/558573351.db2.gz QZPWNZRTRICJJB-UHFFFAOYSA-N -1 1 410.659 3.126 50 0 HGAAMM Cc1cc(=O)[n-]c(SC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1 ZINC000016283674 558783437 /nfs/dbraw/zinc/78/34/37/558783437.db2.gz ITQZPRJVCATSSQ-UHFFFAOYSA-N -1 1 407.451 3.339 50 0 HGAAMM Cc1sc2[n-]c(=S)n(NC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)c(=O)c2c1C ZINC000017091833 558820364 /nfs/dbraw/zinc/82/03/64/558820364.db2.gz KBNCHKRPYYSVPC-VIFPVBQESA-N -1 1 419.484 3.004 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000017168480 558824636 /nfs/dbraw/zinc/82/46/36/558824636.db2.gz OUKBINDBCUPLKM-UHFFFAOYSA-N -1 1 411.483 3.211 50 0 HGAAMM Cc1cc(C)c2nc(Nc3nc(CSc4ncccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017879274 558828459 /nfs/dbraw/zinc/82/84/59/558828459.db2.gz WPLLKAWRMGPZNJ-UHFFFAOYSA-N -1 1 405.487 3.464 50 0 HGAAMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Br)cc2C)c1 ZINC000058377262 558922596 /nfs/dbraw/zinc/92/25/96/558922596.db2.gz LDTKQANLDNBNHZ-UHFFFAOYSA-N -1 1 400.250 3.271 50 0 HGAAMM COc1cccc(CSc2nc(CC(=O)NCCc3ccccc3)cc(=O)[n-]2)c1 ZINC000023138114 559018517 /nfs/dbraw/zinc/01/85/17/559018517.db2.gz NSATZLWBRGYQAS-UHFFFAOYSA-N -1 1 409.511 3.385 50 0 HGAAMM CCCCCn1c2ccccc2c([O-])c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O ZINC000100504349 559135893 /nfs/dbraw/zinc/13/58/93/559135893.db2.gz APCOFTXIYFPDTP-UHFFFAOYSA-N -1 1 411.483 3.268 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1Cl ZINC000004971451 559220502 /nfs/dbraw/zinc/22/05/02/559220502.db2.gz MBFDEWPKBQYXLO-UHFFFAOYSA-N -1 1 406.891 3.449 50 0 HGAAMM CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=S)n(Cc2ccccc2)c1[O-] ZINC000100749945 559262448 /nfs/dbraw/zinc/26/24/48/559262448.db2.gz YKUUXYWYCVWXNH-LJQANCHMSA-N -1 1 407.495 3.154 50 0 biogenic HGAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1 ZINC000017823677 560728988 /nfs/dbraw/zinc/72/89/88/560728988.db2.gz UPGCEOUJBIHTMY-FYYLOGMGSA-N -1 1 423.472 3.213 50 0 HGAAMM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000102083242 560807502 /nfs/dbraw/zinc/80/75/02/560807502.db2.gz XINMPXOVRRKARF-HNNXBMFYSA-N -1 1 401.532 3.294 50 0 HGAAMM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000102083242 560807504 /nfs/dbraw/zinc/80/75/04/560807504.db2.gz XINMPXOVRRKARF-HNNXBMFYSA-N -1 1 401.532 3.294 50 0 HGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)COc2ccc(F)cc2)n1 ZINC000012126319 560889578 /nfs/dbraw/zinc/88/95/78/560889578.db2.gz WNBAUOKWDPDWPA-UHFFFAOYSA-N -1 1 411.437 3.113 50 0 HGAAMM Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012130538 560889996 /nfs/dbraw/zinc/88/99/96/560889996.db2.gz RXNVUCBCBTVVDW-UHFFFAOYSA-N -1 1 419.485 3.038 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2 ZINC000046074113 568426774 /nfs/dbraw/zinc/42/67/74/568426774.db2.gz YEUAKURCCREMFJ-LLVKDONJSA-N -1 1 406.895 3.298 50 0 HGAAMM O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074285 568426850 /nfs/dbraw/zinc/42/68/50/568426850.db2.gz CQTGDJWNGBSYOH-MRXNPFEDSA-N -1 1 420.494 3.169 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074119 568426859 /nfs/dbraw/zinc/42/68/59/568426859.db2.gz ZAYHSCPKDXTYRN-LLVKDONJSA-N -1 1 406.895 3.298 50 0 HGAAMM O=C(Nc1ccccc1F)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074569 568426957 /nfs/dbraw/zinc/42/69/57/568426957.db2.gz XFSPXJQZPOHGAJ-ZDUSSCGKSA-N -1 1 424.457 3.266 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(F)ccc1C)CC(=O)N2 ZINC000046075705 568427082 /nfs/dbraw/zinc/42/70/82/568427082.db2.gz SIHKCAWFQMOXAM-LBPRGKRZSA-N -1 1 404.467 3.174 50 0 HGAAMM C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000048253067 568434405 /nfs/dbraw/zinc/43/44/05/568434405.db2.gz ULYGFFWWTJNVLA-OXJNMPFZSA-N -1 1 417.531 3.208 50 0 HGAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)c1 ZINC000020923385 568651110 /nfs/dbraw/zinc/65/11/10/568651110.db2.gz JTLUJGLSVMDPIJ-LLVKDONJSA-N -1 1 402.497 3.073 50 0 HGAAMM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000095976118 568672902 /nfs/dbraw/zinc/67/29/02/568672902.db2.gz FZETZSQSFIIDJF-UHFFFAOYSA-N -1 1 408.863 3.043 50 0 HGAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc(OC)c(O)c1 ZINC000096114219 568694015 /nfs/dbraw/zinc/69/40/15/568694015.db2.gz IFMKPPQAOITXTE-MRXNPFEDSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc(OC)c(O)c(OC)c1 ZINC000096114286 568694091 /nfs/dbraw/zinc/69/40/91/568694091.db2.gz GWWVCJSJVWLJIB-HNNXBMFYSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc(OC)c2c(c1)OCCO2 ZINC000096115594 568695165 /nfs/dbraw/zinc/69/51/65/568695165.db2.gz KSMPWRSVPKJHQJ-INIZCTEOSA-N -1 1 424.453 3.181 50 0 biogenic HGAAMM COc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2cccc(C)c2)n1 ZINC000021537270 568712552 /nfs/dbraw/zinc/71/25/52/568712552.db2.gz KEJMJTHSCNKZFU-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)NCc1ccc2c(c1)OCCCO2 ZINC000096325029 568734572 /nfs/dbraw/zinc/73/45/72/568734572.db2.gz ZNZAPFHWSUGWRY-UHFFFAOYSA-N -1 1 423.494 3.419 50 0 HGAAMM COC(=O)c1n[nH]c2ccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)cc21 ZINC000025082951 568749396 /nfs/dbraw/zinc/74/93/96/568749396.db2.gz SPOVFUOZCSOGST-UHFFFAOYSA-N -1 1 422.470 3.218 50 0 HGAAMM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc2s1 ZINC000021883088 568757820 /nfs/dbraw/zinc/75/78/20/568757820.db2.gz CZCBPQZCGFEXDC-UHFFFAOYSA-N -1 1 419.513 3.372 50 0 HGAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000002635888 568792018 /nfs/dbraw/zinc/79/20/18/568792018.db2.gz RIJAZZUARQARKW-UHFFFAOYSA-N -1 1 412.467 3.127 50 0 HGAAMM CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000218102127 568925799 /nfs/dbraw/zinc/92/57/99/568925799.db2.gz PWNSDLFZFUDWMI-ZDUSSCGKSA-N -1 1 408.362 3.149 50 0 biogenic HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc(OC)c1 ZINC000015730338 568980943 /nfs/dbraw/zinc/98/09/43/568980943.db2.gz WBBZTLWSFGOXQE-LLVKDONJSA-N -1 1 408.501 3.327 50 0 HGAAMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000015780574 569002308 /nfs/dbraw/zinc/00/23/08/569002308.db2.gz IBOWJOQHTBEHDV-UHFFFAOYSA-N -1 1 418.899 3.128 50 0 HGAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)CC)CCC3)cc1 ZINC000015781455 569002465 /nfs/dbraw/zinc/00/24/65/569002465.db2.gz LCQHBMPOCYCCKD-UHFFFAOYSA-N -1 1 408.545 3.152 50 0 HGAAMM COc1cc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc(OC)c1OC ZINC000012865075 569012054 /nfs/dbraw/zinc/01/20/54/569012054.db2.gz BMDYVCJNELUSSW-UHFFFAOYSA-N -1 1 406.489 3.334 50 0 HGAAMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000012961888 569039351 /nfs/dbraw/zinc/03/93/51/569039351.db2.gz JGAICJCUHGCCPC-UHFFFAOYSA-N -1 1 402.786 3.209 50 0 HGAAMM O=C([O-])[C@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227178846 569040017 /nfs/dbraw/zinc/04/00/17/569040017.db2.gz JKKRBOBZGKWIHX-QRWLVFNGSA-N -1 1 421.453 3.343 50 0 HGAAMM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1[O-])OC(=O)C[C@@H]3c1cnn(C)c1 ZINC000524729415 569051522 /nfs/dbraw/zinc/05/15/22/569051522.db2.gz SRQOOPJNGAIMIA-CQSZACIVSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM O=C([C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1)N1CCCC1 ZINC000064611756 569074440 /nfs/dbraw/zinc/07/44/40/569074440.db2.gz RZHHDDSANUYABF-MRXNPFEDSA-N -1 1 408.527 3.490 50 0 HGAAMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCCCCCC2)cc1 ZINC000064843998 569107823 /nfs/dbraw/zinc/10/78/23/569107823.db2.gz BSIUWFQPLAQEGZ-UHFFFAOYSA-N -1 1 419.503 3.360 50 0 HGAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)c1 ZINC000065115172 569179211 /nfs/dbraw/zinc/17/92/11/569179211.db2.gz XKAIHMRFLNDGCP-UHFFFAOYSA-N -1 1 413.455 3.067 50 0 HGAAMM CCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000007422649 569237843 /nfs/dbraw/zinc/23/78/43/569237843.db2.gz GQVAPJXYYNEHPN-UHFFFAOYSA-N -1 1 407.474 3.184 50 0 HGAAMM O=C(Cc1ccc(OC(F)F)cc1)N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000170597618 569242269 /nfs/dbraw/zinc/24/22/69/569242269.db2.gz RFAFXRCJUHWJLC-HNNXBMFYSA-N -1 1 411.771 3.042 50 0 HGAAMM O=S(=O)([N-]c1ccc2nc(N3CCOCC3)sc2c1)c1ccc2c(c1)CCC2 ZINC000009882115 569251285 /nfs/dbraw/zinc/25/12/85/569251285.db2.gz CSQOLEMVFOCIKE-UHFFFAOYSA-N -1 1 415.540 3.422 50 0 HGAAMM Cc1ccc2c([O-])c(C(=O)N3CC[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cnc2n1 ZINC000089657308 569261841 /nfs/dbraw/zinc/26/18/41/569261841.db2.gz ZMYPWSMTTMXCBP-CABCVRRESA-N -1 1 412.490 3.258 50 0 HGAAMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)c2=O ZINC000089657308 569261842 /nfs/dbraw/zinc/26/18/42/569261842.db2.gz ZMYPWSMTTMXCBP-CABCVRRESA-N -1 1 412.490 3.258 50 0 HGAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000089677901 569262314 /nfs/dbraw/zinc/26/23/14/569262314.db2.gz HECUWNGLMMCXGC-UHFFFAOYSA-N -1 1 408.545 3.279 50 0 HGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1nc2c(cccc2C)s1 ZINC000016849707 569265652 /nfs/dbraw/zinc/26/56/52/569265652.db2.gz XAZNAZIRJKMDHD-UHFFFAOYSA-N -1 1 422.514 3.370 50 0 HGAAMM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000007728288 569303637 /nfs/dbraw/zinc/30/36/37/569303637.db2.gz MKRSNDFYHJHDGS-UHFFFAOYSA-N -1 1 402.925 3.008 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)Cc3c(C)noc3C)c2)cc1 ZINC000007778582 569308883 /nfs/dbraw/zinc/30/88/83/569308883.db2.gz CIOYOAMDIYCLED-UHFFFAOYSA-N -1 1 415.471 3.282 50 0 HGAAMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)ccc1Oc1cccnc1 ZINC000253537665 569382979 /nfs/dbraw/zinc/38/29/79/569382979.db2.gz CDVFSEZWSMWRTJ-UHFFFAOYSA-N -1 1 424.438 3.338 50 0 HGAAMM CCOc1cc2c(cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)O[C@H](C)C2 ZINC000013256355 569410291 /nfs/dbraw/zinc/41/02/91/569410291.db2.gz HSYXGNBJUDMOQN-CYBMUJFWSA-N -1 1 405.472 3.227 50 0 HGAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2nc3cccc(OC(F)(F)F)c3s2)n1 ZINC000067350726 571081684 /nfs/dbraw/zinc/08/16/84/571081684.db2.gz UGFWPJGOUXBLBN-UHFFFAOYSA-N -1 1 416.406 3.317 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840811 571124073 /nfs/dbraw/zinc/12/40/73/571124073.db2.gz UVBIGCDFCOETPX-UHFFFAOYSA-N -1 1 415.515 3.381 50 0 HGAAMM CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O ZINC000008995647 571208579 /nfs/dbraw/zinc/20/85/79/571208579.db2.gz PUDKKFCNAWTZLC-MFSJNOQSSA-N -1 1 403.482 3.078 50 0 HGAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153182 571231415 /nfs/dbraw/zinc/23/14/15/571231415.db2.gz HYDVTAKFZNBBIU-UHFFFAOYSA-N -1 1 421.478 3.295 50 0 HGAAMM Cc1cc([O-])c2c(C)c(CC(=O)NCc3nc(-c4ccccc4)no3)c(=O)oc2c1 ZINC000009419041 571256516 /nfs/dbraw/zinc/25/65/16/571256516.db2.gz PICIZTOYGNSJKE-UHFFFAOYSA-N -1 1 405.410 3.024 50 0 HGAAMM CCOc1ccccc1NC(=O)CSC1=Nc2cc(C)ccc2S(=O)(=O)[N-]1 ZINC000009530217 571266778 /nfs/dbraw/zinc/26/67/78/571266778.db2.gz GNTRVHLIAFEGIC-UHFFFAOYSA-N -1 1 405.501 3.236 50 0 HGAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000010518275 571304212 /nfs/dbraw/zinc/30/42/12/571304212.db2.gz DOPXBAZDLBQGDD-UHFFFAOYSA-N -1 1 408.545 3.226 50 0 HGAAMM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 ZINC000008768692 132333316 /nfs/dbraw/zinc/33/33/16/132333316.db2.gz MVIPRXALHFXWNV-UHFFFAOYSA-N -1 1 401.488 3.135 50 0 HGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008993282 132334662 /nfs/dbraw/zinc/33/46/62/132334662.db2.gz VLKCMHFRMLTVFC-UHFFFAOYSA-N -1 1 412.873 3.352 50 0 HGAAMM CCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000009138085 132336585 /nfs/dbraw/zinc/33/65/85/132336585.db2.gz KCPCDTNNTCDLKP-NTKDMRAZSA-N -1 1 420.513 3.323 50 0 HGAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc2c(c1)OCCCO2 ZINC000009737886 132343098 /nfs/dbraw/zinc/34/30/98/132343098.db2.gz OBUYZAMYDFEEDS-UHFFFAOYSA-N -1 1 424.906 3.139 50 0 HGAAMM CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000032759721 519980376 /nfs/dbraw/zinc/98/03/76/519980376.db2.gz QHGLQBBMUNIHIK-UHFFFAOYSA-N -1 1 408.545 3.055 50 0 HGAAMM CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(=O)c1ccc(F)cc1)C(F)(F)F ZINC000005327412 557644863 /nfs/dbraw/zinc/64/48/63/557644863.db2.gz VISHVSHPADFQDY-SFHVURJKSA-N -1 1 414.355 3.498 50 0 HGAAMM COc1ccc(-c2noc(CSc3nc(N)c(-c4ccccc4)c(=O)[n-]3)n2)cc1 ZINC000008763004 557805885 /nfs/dbraw/zinc/80/58/85/557805885.db2.gz LYLKMVSVLKPUGS-UHFFFAOYSA-N -1 1 407.455 3.370 50 0 HGAAMM COc1ccc2c(CCNC(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)c[nH]c2c1 ZINC000012895512 558483440 /nfs/dbraw/zinc/48/34/40/558483440.db2.gz DWBFLGOCCPWBNM-UHFFFAOYSA-N -1 1 406.438 3.198 50 0 biogenic HGAAMM CC(=O)N[C@@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(Cl)cc1 ZINC000023036996 558530951 /nfs/dbraw/zinc/53/09/51/558530951.db2.gz NDNZFXFLKUSBJD-SFHVURJKSA-N -1 1 415.829 3.463 50 0 HGAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1 ZINC000023608787 558563604 /nfs/dbraw/zinc/56/36/04/558563604.db2.gz PAVMNOABVVSTLZ-UHFFFAOYSA-N -1 1 414.560 3.389 50 0 HGAAMM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nn[n-]n1 ZINC000016741967 558803871 /nfs/dbraw/zinc/80/38/71/558803871.db2.gz NBOPMFGEZRPRAV-CQSZACIVSA-N -1 1 414.208 3.363 50 0 HGAAMM Cc1ccccc1C(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C(=O)[O-])c2c1 ZINC000033010342 558829639 /nfs/dbraw/zinc/82/96/39/558829639.db2.gz XAXNEZSELQQEIE-UHFFFAOYSA-N -1 1 404.470 3.246 50 0 HGAAMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(F)(F)F)cc3)cc21 ZINC000058005288 558894393 /nfs/dbraw/zinc/89/43/93/558894393.db2.gz XKGVMXUYUJEAOH-UHFFFAOYSA-N -1 1 412.393 3.358 50 0 HGAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2C)cc1 ZINC000058224035 558913193 /nfs/dbraw/zinc/91/31/93/558913193.db2.gz ISYPIDUNLHBEFM-UHFFFAOYSA-N -1 1 417.512 3.467 50 0 HGAAMM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(CC)CC[NH+](C)C)cc1 ZINC000033253988 558922186 /nfs/dbraw/zinc/92/21/86/558922186.db2.gz UMRHXTDDFLDIHC-UHFFFAOYSA-N -1 1 419.547 3.136 50 0 HGAAMM COc1cccc(CSc2nc(C)c(CC(=O)NCc3cccs3)c(=O)[n-]2)c1 ZINC000023138529 559019911 /nfs/dbraw/zinc/01/99/11/559019911.db2.gz KSAWUJPXUYEXOI-UHFFFAOYSA-N -1 1 415.540 3.300 50 0 HGAAMM COc1cccc(CSc2nc(C)c(CC(=O)Nc3nccs3)c(=O)[n-]2)c1 ZINC000023138541 559019931 /nfs/dbraw/zinc/01/99/31/559019931.db2.gz AEYACAFXOBVFJH-UHFFFAOYSA-N -1 1 402.501 3.017 50 0 HGAAMM COC(=O)C[C@H](c1c([O-])nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000205952687 559186869 /nfs/dbraw/zinc/18/68/69/559186869.db2.gz DGUZBSDOGWSWAT-HNNXBMFYSA-N -1 1 412.829 3.176 50 0 HGAAMM Cc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000005075796 559241024 /nfs/dbraw/zinc/24/10/24/559241024.db2.gz AZSYJOCHIFBDBH-UHFFFAOYSA-N -1 1 420.556 3.215 50 0 HGAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1N1CCCCC1=O ZINC000005329849 560565599 /nfs/dbraw/zinc/56/55/99/560565599.db2.gz QMTHZOAJYOXPGC-UHFFFAOYSA-N -1 1 402.472 3.084 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000005601960 560629162 /nfs/dbraw/zinc/62/91/62/560629162.db2.gz CMIMUZHNHLPFLP-IAGOWNOFSA-N -1 1 422.572 3.462 50 0 HGAAMM COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1OC ZINC000012126044 560889616 /nfs/dbraw/zinc/88/96/16/560889616.db2.gz UDEGCXFSGFLYGP-UHFFFAOYSA-N -1 1 423.473 3.226 50 0 HGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)CSCc2ccccc2)[n-]c(=O)c1C ZINC000012127179 560889719 /nfs/dbraw/zinc/88/97/19/560889719.db2.gz FQTROIBKQDVBRC-UHFFFAOYSA-N -1 1 409.515 3.322 50 0 HGAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074665 568426972 /nfs/dbraw/zinc/42/69/72/568426972.db2.gz QGMBPNCWNYSXFU-MRXNPFEDSA-N -1 1 420.494 3.435 50 0 HGAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)c1 ZINC000046074772 568426976 /nfs/dbraw/zinc/42/69/76/568426976.db2.gz TWJJNQIGAJWRBB-INIZCTEOSA-N -1 1 420.494 3.435 50 0 HGAAMM 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1 416.499 3.192 50 0 HGAAMM O=C(CSc1nc(-c2cccs2)nc2cc(=O)[n-]n21)Nc1ccccc1F ZINC000006915853 569180991 /nfs/dbraw/zinc/18/09/91/569180991.db2.gz NNIOZCVUFRHUJC-UHFFFAOYSA-N -1 1 401.448 3.016 50 0 HGAAMM Cn1cnc2c1c1cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc1oc2=O ZINC000006941461 569186763 /nfs/dbraw/zinc/18/67/63/569186763.db2.gz TZZNLZPLMYKJKR-UHFFFAOYSA-N -1 1 407.810 3.273 50 0 HGAAMM COc1cc2c(cc1OC)[C@H](NC(=O)Cc1c(C)c3ccc([O-])cc3oc1=O)CC2 ZINC000524730960 569212087 /nfs/dbraw/zinc/21/20/87/569212087.db2.gz DSHVQDBXOWTIES-GOSISDBHSA-N -1 1 409.438 3.170 50 0 biogenic HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000014401930 569259872 /nfs/dbraw/zinc/25/98/72/569259872.db2.gz NHQFNGDCSJXYLD-UHFFFAOYSA-N -1 1 418.515 3.377 50 0 HGAAMM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 ZINC000017010963 569271307 /nfs/dbraw/zinc/27/13/07/569271307.db2.gz YYLTUARNACTYGV-UHFFFAOYSA-N -1 1 424.526 3.398 50 0 HGAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4ccccn4)CC2)nc3=O)cc1 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CCOCCCNC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000002140808 557318147 /nfs/dbraw/zinc/31/81/47/557318147.db2.gz JQONUSLQEHHQMB-UHFFFAOYSA-N -1 1 404.532 3.271 50 0 HGAAMM COc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[n-]n2)c1OC ZINC000008952527 557816157 /nfs/dbraw/zinc/81/61/57/557816157.db2.gz ILHBMHYHVSHZRJ-AWEZNQCLSA-N -1 1 421.379 3.201 50 0 HGAAMM COc1cc(SC)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000014245510 558646578 /nfs/dbraw/zinc/64/65/78/558646578.db2.gz DUKZDDGJFWWQAI-UHFFFAOYSA-N -1 1 422.528 3.160 50 0 HGAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1nc(Cl)ccc1Cl ZINC000028671474 558703530 /nfs/dbraw/zinc/70/35/30/558703530.db2.gz YDSKUSBUWCTQQG-UHFFFAOYSA-N -1 1 416.286 3.131 50 0 HGAAMM COc1ccc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000060095021 558730640 /nfs/dbraw/zinc/73/06/40/558730640.db2.gz OQQJDAZMQHZRIC-UHFFFAOYSA-N -1 1 404.488 3.186 50 0 HGAAMM CC(=O)n1cc(C=C2C(=O)[N-]C(=S)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000001196098 558837090 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421.236 3.303 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N2 ZINC000100951095 560763951 /nfs/dbraw/zinc/76/39/51/560763951.db2.gz QIILYTKUZNNMPQ-HNNXBMFYSA-N -1 1 401.488 3.285 50 0 HGAAMM Cc1cc(C)nc(-n2[n-]c3[nH]c(C)c(Cc4cccc5ccccc54)c(=O)c3c2=O)n1 ZINC000018063695 560774478 /nfs/dbraw/zinc/77/44/78/560774478.db2.gz ZLRQJUXHXNVDGQ-UHFFFAOYSA-N -1 1 411.465 3.466 50 0 HGAAMM Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4cccc5ccccc54)c(=O)c3c2[O-])n1 ZINC000018063695 560774479 /nfs/dbraw/zinc/77/44/79/560774479.db2.gz ZLRQJUXHXNVDGQ-UHFFFAOYSA-N -1 1 411.465 3.466 50 0 HGAAMM Cc1cc(C)nc(-n2nc3[nH]c(C)c(Cc4cccc5ccccc54)c([O-])c-3c2=O)n1 ZINC000018063695 560774481 /nfs/dbraw/zinc/77/44/81/560774481.db2.gz ZLRQJUXHXNVDGQ-UHFFFAOYSA-N -1 1 411.465 3.466 50 0 HGAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000101628974 560797412 /nfs/dbraw/zinc/79/74/12/560797412.db2.gz YQBDMPAYYILNAO-KDURUIRLSA-N -1 1 412.511 3.471 50 0 HGAAMM CCC(=O)N(Cc1ccc(F)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861088 560804107 /nfs/dbraw/zinc/80/41/07/560804107.db2.gz ZULOVEAHVFBWHK-UHFFFAOYSA-N -1 1 419.460 3.399 50 0 HGAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2cccs2)n1C)c1nc(C)cs1 ZINC000103035055 560836625 /nfs/dbraw/zinc/83/66/25/560836625.db2.gz CGQNDTWXLFKVLO-ZDUSSCGKSA-N -1 1 422.557 3.317 50 0 HGAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccoc2C)n1C)c1nc(C)cs1 ZINC000103034789 560836651 /nfs/dbraw/zinc/83/66/51/560836651.db2.gz QYNFGKVGGYLKIW-CQSZACIVSA-N -1 1 420.516 3.157 50 0 HGAAMM COc1ccc(CN(C(=O)c2ccccc2C)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860884 560852460 /nfs/dbraw/zinc/85/24/60/560852460.db2.gz JNUMXKVPPIOSJH-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM O=C(Cc1ccc(F)cc1)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012130599 560890009 /nfs/dbraw/zinc/89/00/09/560890009.db2.gz JLHBZLQBMMHISK-UHFFFAOYSA-N -1 1 407.449 3.032 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046074229 568426753 /nfs/dbraw/zinc/42/67/53/568426753.db2.gz ZKYXBFBKNCGAOX-ZDUSSCGKSA-N -1 1 400.504 3.289 50 0 HGAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074282 568426800 /nfs/dbraw/zinc/42/68/00/568426800.db2.gz CQTGDJWNGBSYOH-INIZCTEOSA-N -1 1 420.494 3.169 50 0 HGAAMM Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074532 568426965 /nfs/dbraw/zinc/42/69/65/568426965.db2.gz CNLXUUBXROEESO-MRXNPFEDSA-N -1 1 420.494 3.435 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000046075486 568427001 /nfs/dbraw/zinc/42/70/01/568427001.db2.gz GPMPYILNHABHAF-CYBMUJFWSA-N -1 1 400.504 3.343 50 0 HGAAMM Cc1ccc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260595 568512843 /nfs/dbraw/zinc/51/28/43/568512843.db2.gz BQFOAYVHEGXEJW-UHFFFAOYSA-N -1 1 404.470 3.246 50 0 HGAAMM CC1(C)[C@H](NC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)[C@@H]2CCO[C@@H]21 ZINC000095996440 568679107 /nfs/dbraw/zinc/67/91/07/568679107.db2.gz AQOZCTAHLRLDQE-OTWHNJEPSA-N -1 1 415.515 3.422 50 0 HGAAMM Cn1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114395 568694006 /nfs/dbraw/zinc/69/40/06/568694006.db2.gz PTUYUARFSYRBGV-CYBMUJFWSA-N -1 1 404.378 3.046 50 0 biogenic HGAAMM Cn1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114395 568694007 /nfs/dbraw/zinc/69/40/07/568694007.db2.gz PTUYUARFSYRBGV-CYBMUJFWSA-N -1 1 404.378 3.046 50 0 biogenic HGAAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCO2)c1ccc(O)c(OC)c1 ZINC000096222545 568705863 /nfs/dbraw/zinc/70/58/63/568705863.db2.gz BYEPZXWEQAHUCF-INIZCTEOSA-N -1 1 424.453 3.050 50 0 biogenic HGAAMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2)c(F)cc1Cl ZINC000240902777 568730427 /nfs/dbraw/zinc/73/04/27/568730427.db2.gz IVHFCIXZVLAKIU-MRXNPFEDSA-N -1 1 415.870 3.322 50 0 HGAAMM O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000938083 568752007 /nfs/dbraw/zinc/75/20/07/568752007.db2.gz MVBAHBIPDDTVQY-YFKPBYRVSA-N -1 1 423.039 3.315 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCO[C@@H]4CCC[C@H]43)c2)c1 ZINC000056193075 568793014 /nfs/dbraw/zinc/79/30/14/568793014.db2.gz OZHCVUYSFUJHMI-WOJBJXKFSA-N -1 1 400.500 3.189 50 0 HGAAMM COc1ccc(NC(=O)c2ccc(Br)cc2F)cc1[N-]S(C)(=O)=O ZINC000029817809 568834509 /nfs/dbraw/zinc/83/45/09/568834509.db2.gz SFLIYDCMMLFSNJ-UHFFFAOYSA-N -1 1 417.256 3.221 50 0 HGAAMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1C ZINC000012544759 568849902 /nfs/dbraw/zinc/84/99/02/568849902.db2.gz VOGKPDDJNOZTLA-UHFFFAOYSA-N -1 1 416.524 3.371 50 0 HGAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCOC(C)C)cc2)ccc1F ZINC000012585312 568866083 /nfs/dbraw/zinc/86/60/83/568866083.db2.gz DCQZTDGGCWJFOM-UHFFFAOYSA-N -1 1 408.495 3.480 50 0 HGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)C1 ZINC000031821017 568933142 /nfs/dbraw/zinc/93/31/42/568933142.db2.gz PWFLZHDOOXMJNR-MTJIALIYSA-N -1 1 401.463 3.075 50 0 HGAAMM CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000012771877 568952209 /nfs/dbraw/zinc/95/22/09/568952209.db2.gz IASMQUBIFFWVMO-UHFFFAOYSA-N -1 1 408.423 3.213 50 0 HGAAMM C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000084637140 568953907 /nfs/dbraw/zinc/95/39/07/568953907.db2.gz WOGLAICMAMLOPL-DNVCBOLYSA-N -1 1 414.483 3.322 50 0 HGAAMM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2S1 ZINC000015730902 568981510 /nfs/dbraw/zinc/98/15/10/568981510.db2.gz CFUKEHNCWXZSOH-LLVKDONJSA-N -1 1 406.485 3.081 50 0 HGAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c(OC)c2c1OCCO2 ZINC000085412238 568986326 /nfs/dbraw/zinc/98/63/26/568986326.db2.gz GISKLDRQHTXVSX-KRWDZBQOSA-N -1 1 405.476 3.432 50 0 HGAAMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000008315534 568989983 /nfs/dbraw/zinc/98/99/83/568989983.db2.gz YKMSOWDHSZAFSH-RHSMWYFYSA-N -1 1 416.547 3.027 50 0 HGAAMM CCCCNC(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000008394857 568999204 /nfs/dbraw/zinc/99/92/04/568999204.db2.gz DZXFOSXDWWKLCI-QGZVFWFLSA-N -1 1 416.547 3.029 50 0 HGAAMM CC(C)N1C(=O)[N-]C(=O)[C@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O ZINC000245327737 569055973 /nfs/dbraw/zinc/05/59/73/569055973.db2.gz PUDKKFCNAWTZLC-VAXXYWNWSA-N -1 1 403.482 3.078 50 0 HGAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000006641816 569078207 /nfs/dbraw/zinc/07/82/07/569078207.db2.gz JRZLLPHSXJNAHZ-UHFFFAOYSA-N -1 1 403.434 3.405 50 0 HGAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000006779190 569119329 /nfs/dbraw/zinc/11/93/29/569119329.db2.gz PBSCTLJJPNAPRQ-NSHDSACASA-N -1 1 406.485 3.097 50 0 HGAAMM CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000006800789 569128782 /nfs/dbraw/zinc/12/87/82/569128782.db2.gz UQGANUPQJVROOV-UHFFFAOYSA-N -1 1 406.460 3.021 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2c(C)c(-c3nnc(C4CC4)o3)n(C)c2C)cc1 ZINC000065186543 569192084 /nfs/dbraw/zinc/19/20/84/569192084.db2.gz DAMXVCLSNCMUHY-UHFFFAOYSA-N -1 1 402.476 3.379 50 0 HGAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)ccc2N1 ZINC000007421671 569237663 /nfs/dbraw/zinc/23/76/63/569237663.db2.gz JBTNRHARZGKMNH-UHFFFAOYSA-N -1 1 400.456 3.414 50 0 HGAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000170601022 569243088 /nfs/dbraw/zinc/24/30/88/569243088.db2.gz JMMZMTQLHONDIR-GFCCVEGCSA-N -1 1 411.863 3.254 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1Cl ZINC000013696993 569257033 /nfs/dbraw/zinc/25/70/33/569257033.db2.gz VWOWQUVLKTUPPY-UHFFFAOYSA-N -1 1 406.891 3.449 50 0 HGAAMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000089688855 569262435 /nfs/dbraw/zinc/26/24/35/569262435.db2.gz NXTCDGUJLSVHSV-UHFFFAOYSA-N -1 1 408.545 3.360 50 0 HGAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000016851326 569266174 /nfs/dbraw/zinc/26/61/74/569266174.db2.gz JQGFELPYXZWJPC-UHFFFAOYSA-N -1 1 413.430 3.111 50 0 HGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 ZINC000016981079 569270310 /nfs/dbraw/zinc/27/03/10/569270310.db2.gz KEIMUSHWWJYCAI-OAHLLOKOSA-N -1 1 421.545 3.259 50 0 HGAAMM COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2nc(C)c(C)c(=O)[n-]2)c1C ZINC000016981212 569270328 /nfs/dbraw/zinc/27/03/28/569270328.db2.gz ATOMWNKXWHWABT-UHFFFAOYSA-N -1 1 409.490 3.078 50 0 HGAAMM Cc1cc(NC(=O)C2CC2)n(-c2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)n1 ZINC000017011684 569271399 /nfs/dbraw/zinc/27/13/99/569271399.db2.gz MXJGBQWMZFRCBF-UHFFFAOYSA-N -1 1 409.837 3.017 50 0 HGAAMM COc1ccc(Cc2[n-][nH]c(=O)c2[C@@H](CC(N)=O)c2ccc(F)cc2Cl)cc1 ZINC000253414024 569389050 /nfs/dbraw/zinc/38/90/50/569389050.db2.gz WGOGQZWYTSFTMG-HNNXBMFYSA-N -1 1 403.841 3.102 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C[C@H](C)O)c2)c1 ZINC000078869587 569420905 /nfs/dbraw/zinc/42/09/05/569420905.db2.gz MADAOQCEZKWKJE-RDJZCZTQSA-N -1 1 404.532 3.241 50 0 HGAAMM CCCCOCCCNC(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O ZINC000013940194 569423279 /nfs/dbraw/zinc/42/32/79/569423279.db2.gz BCWJSSNUQRWEGP-LJQANCHMSA-N -1 1 404.894 3.249 50 0 HGAAMM Cc1nc(Nc2nc(-c3cnc(N4CCCC4)nc3C)cc(=O)[n-]2)nc2ccccc12 ZINC000039404005 571132007 /nfs/dbraw/zinc/13/20/07/571132007.db2.gz USOIPHWFLFSFSW-UHFFFAOYSA-N -1 1 414.473 3.131 50 0 HGAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2cccc(C)c2)c1=O ZINC000008994391 571208318 /nfs/dbraw/zinc/20/83/18/571208318.db2.gz LXTDJZNSAGXKHD-NRFANRHFSA-N -1 1 416.481 3.401 50 0 biogenic HGAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2ccccc2)c1=O ZINC000009058615 571217040 /nfs/dbraw/zinc/21/70/40/571217040.db2.gz GIUBVIVPTHIAFT-FQEVSTJZSA-N -1 1 402.454 3.092 50 0 biogenic HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1C ZINC000009153188 571231371 /nfs/dbraw/zinc/23/13/71/571231371.db2.gz ZSNKSHKBMBARSW-UHFFFAOYSA-N -1 1 421.478 3.295 50 0 HGAAMM COc1cc(OC)cc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000040309596 522888209 /nfs/dbraw/zinc/88/82/09/522888209.db2.gz MVSCJKXYSXVYJS-FQEVSTJZSA-N -1 1 422.441 3.305 50 0 biogenic HGAAMM Cn1c(Cc2csc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n2)n[n-]c1=S ZINC000032787108 527067663 /nfs/dbraw/zinc/06/76/63/527067663.db2.gz BNWCCDZAVWMOAW-GFCCVEGCSA-N -1 1 407.908 3.121 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000000653388 557039862 /nfs/dbraw/zinc/03/98/62/557039862.db2.gz YEHXRPROGPJEEI-UHFFFAOYSA-N -1 1 417.512 3.300 50 0 HGAAMM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000002827934 557397482 /nfs/dbraw/zinc/39/74/82/557397482.db2.gz YVHBJAIANROJBF-UHFFFAOYSA-N -1 1 410.561 3.491 50 0 HGAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C(=O)OC)c1 ZINC000003876865 557502102 /nfs/dbraw/zinc/50/21/02/557502102.db2.gz WKJLSAIMQLKFAU-UHFFFAOYSA-N -1 1 405.472 3.358 50 0 HGAAMM Cc1cc(C)n(CCc2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)n1 ZINC000006665160 557712939 /nfs/dbraw/zinc/71/29/39/557712939.db2.gz VGDSHMUERZBJHU-UHFFFAOYSA-N -1 1 409.515 3.430 50 0 HGAAMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)c(Cl)s1)C(C)C ZINC000006891955 557729010 /nfs/dbraw/zinc/72/90/10/557729010.db2.gz AVZDXAFLNPPOEC-VIFPVBQESA-N -1 1 404.735 3.030 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2)cc1 ZINC000014077958 558617990 /nfs/dbraw/zinc/61/79/90/558617990.db2.gz QGGRPIVCPFXBHA-UHFFFAOYSA-N -1 1 424.478 3.252 50 0 HGAAMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)c2)n1 ZINC000069947969 558648322 /nfs/dbraw/zinc/64/83/22/558648322.db2.gz XTSKDRGPXGPPPJ-UHFFFAOYSA-N -1 1 416.484 3.441 50 0 HGAAMM COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000015791153 558753436 /nfs/dbraw/zinc/75/34/36/558753436.db2.gz CSXCZMJCCUUTAV-LBPRGKRZSA-N -1 1 416.421 3.271 50 0 HGAAMM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)CC1 ZINC000033274570 558764003 /nfs/dbraw/zinc/76/40/03/558764003.db2.gz IYHPCRUMRLDIFY-HNNXBMFYSA-N -1 1 402.516 3.442 50 0 HGAAMM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 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CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccc(OC)c3)cc2)CC1 ZINC000033274569 558764134 /nfs/dbraw/zinc/76/41/34/558764134.db2.gz IYHPCRUMRLDIFY-OAHLLOKOSA-N -1 1 402.516 3.442 50 0 HGAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000032975685 558803112 /nfs/dbraw/zinc/80/31/12/558803112.db2.gz YQBDMPAYYILNAO-RTBURBONSA-N -1 1 412.511 3.471 50 0 HGAAMM COC(=O)C[C@@H](c1c([O-])nc2ccc(Cl)cn2c1=O)C1=Cc2ccccc2OC1 ZINC000205952672 559186775 /nfs/dbraw/zinc/18/67/75/559186775.db2.gz DGUZBSDOGWSWAT-OAHLLOKOSA-N -1 1 412.829 3.176 50 0 HGAAMM CN(C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000033445741 559193063 /nfs/dbraw/zinc/19/30/63/559193063.db2.gz KIGLTIFMQBORFK-UHFFFAOYSA-N -1 1 424.478 3.307 50 0 HGAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cc2c(s1)CCC2 ZINC000004949579 559214813 /nfs/dbraw/zinc/21/48/13/559214813.db2.gz NDUTYSKPJYYANC-UHFFFAOYSA-N -1 1 406.529 3.369 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000011748789 559256859 /nfs/dbraw/zinc/25/68/59/559256859.db2.gz KRCJTJFLRWDCQG-GOSISDBHSA-N -1 1 406.529 3.078 50 0 HGAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(F)cc2)n1 ZINC000011854443 559262203 /nfs/dbraw/zinc/26/22/03/559262203.db2.gz YHVIAIJQFJLPDQ-UHFFFAOYSA-N -1 1 409.446 3.313 50 0 HGAAMM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3[O-])=NN2)cc1 ZINC000101762673 560800786 /nfs/dbraw/zinc/80/07/86/560800786.db2.gz ANNCBTOIZUWORJ-KRWDZBQOSA-N -1 1 424.888 3.447 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046074125 568426853 /nfs/dbraw/zinc/42/68/53/568426853.db2.gz PXITWFOZJAZQHA-SECBINFHSA-N -1 1 410.858 3.129 50 0 HGAAMM C[C@@H]1C[C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCO1 ZINC000095457888 568618773 /nfs/dbraw/zinc/61/87/73/568618773.db2.gz MZDQYVCWXVVXEI-HUUCEWRRSA-N -1 1 406.479 3.171 50 0 HGAAMM Cc1ccc2c([O-])c(C(=O)N3CCC[C@@H](n4nccc4C(F)(F)F)C3)cnc2n1 ZINC000095466770 568624322 /nfs/dbraw/zinc/62/43/22/568624322.db2.gz BFODEYMFFBGBGT-GFCCVEGCSA-N -1 1 405.380 3.336 50 0 HGAAMM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](n4nccc4C(F)(F)F)C3)c[n-]c2n1 ZINC000095466770 568624326 /nfs/dbraw/zinc/62/43/26/568624326.db2.gz BFODEYMFFBGBGT-GFCCVEGCSA-N -1 1 405.380 3.336 50 0 HGAAMM Cc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[n-]n21 ZINC000021537265 568712314 /nfs/dbraw/zinc/71/23/14/568712314.db2.gz RPQGPXIKWKXKFQ-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM COC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CCC(C)CC1 ZINC000241132855 568730871 /nfs/dbraw/zinc/73/08/71/568730871.db2.gz JMFMDMDURBKTIN-UHFFFAOYSA-N -1 1 417.531 3.208 50 0 HGAAMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c1 ZINC000012520374 568841070 /nfs/dbraw/zinc/84/10/70/568841070.db2.gz AEFYCIDXDCTXNZ-UHFFFAOYSA-N -1 1 417.512 3.467 50 0 HGAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N1CCCC1 ZINC000012521146 568841713 /nfs/dbraw/zinc/84/17/13/568841713.db2.gz PYYJMHBPGIISDR-UHFFFAOYSA-N -1 1 409.305 3.486 50 0 HGAAMM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000012548390 568851682 /nfs/dbraw/zinc/85/16/82/568851682.db2.gz YCUKIVQMRMHCPU-HOTGVXAUSA-N -1 1 400.456 3.093 50 0 HGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)C1 ZINC000031818459 568932675 /nfs/dbraw/zinc/93/26/75/568932675.db2.gz JTIIMYXIPJVYIM-RDXCRGQUSA-N -1 1 401.463 3.075 50 0 HGAAMM Cc1ccc(NC(=O)CN2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)cc1 ZINC000012754848 568942476 /nfs/dbraw/zinc/94/24/76/568942476.db2.gz WBCPBQXFVSQVFC-UHFFFAOYSA-N -1 1 403.482 3.250 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)cc1 ZINC000004249142 568954167 /nfs/dbraw/zinc/95/41/67/568954167.db2.gz APAQYRJWMNAZCR-UHFFFAOYSA-N -1 1 414.512 3.415 50 0 HGAAMM CCC(CC)[C@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)OC ZINC000084727349 568957254 /nfs/dbraw/zinc/95/72/54/568957254.db2.gz KMOYUNQPZJPPAJ-FQEVSTJZSA-N -1 1 419.547 3.454 50 0 HGAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000008108624 568974104 /nfs/dbraw/zinc/97/41/04/568974104.db2.gz DMQFWRJBCTWSEO-MRXNPFEDSA-N -1 1 422.572 3.470 50 0 HGAAMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CC1 ZINC000008183761 568980170 /nfs/dbraw/zinc/98/01/70/568980170.db2.gz WULBQISWKNSLPA-CQSZACIVSA-N -1 1 416.499 3.177 50 0 HGAAMM COC(=O)COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1OC ZINC000085412314 568986164 /nfs/dbraw/zinc/98/61/64/568986164.db2.gz XYBPPWURJFFEJC-KRWDZBQOSA-N -1 1 405.476 3.204 50 0 HGAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000015781484 569002469 /nfs/dbraw/zinc/00/24/69/569002469.db2.gz YHQDOYHQBQWZQB-UHFFFAOYSA-N -1 1 414.936 3.243 50 0 HGAAMM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000012881363 569018856 /nfs/dbraw/zinc/01/88/56/569018856.db2.gz RSBZJHXJDJVVHC-UHFFFAOYSA-N -1 1 424.194 3.454 50 0 HGAAMM COc1cc2c(cc1OC)CN(C(=O)Cc1c(C)c3c([O-])cc(C)cc3oc1=O)CC2 ZINC000012899028 569020499 /nfs/dbraw/zinc/02/04/99/569020499.db2.gz XRPVGDKAMMZURW-UHFFFAOYSA-N -1 1 423.465 3.260 50 0 biogenic HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)N(C)C ZINC000006213981 569033213 /nfs/dbraw/zinc/03/32/13/569033213.db2.gz MWUCXLRXKNOPSW-UHFFFAOYSA-N -1 1 404.513 3.199 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000006317104 569040274 /nfs/dbraw/zinc/04/02/74/569040274.db2.gz LHHIQPIIKNFHHP-UHFFFAOYSA-N -1 1 408.545 3.279 50 0 HGAAMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000054294792 569070066 /nfs/dbraw/zinc/07/00/66/569070066.db2.gz AMCFNBIDAZFSOR-UHFFFAOYSA-N -1 1 414.277 3.194 50 0 HGAAMM Cc1nc2[n-]c(N(Cc3cccs3)C(=O)CCc3ccccc3)nn2c(=O)c1C ZINC000064791936 569095848 /nfs/dbraw/zinc/09/58/48/569095848.db2.gz OQGPJFKXJSLQFC-UHFFFAOYSA-N -1 1 407.499 3.262 50 0 HGAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)cc2)c1C ZINC000006767831 569115141 /nfs/dbraw/zinc/11/51/41/569115141.db2.gz IXDCFUGVLFYGBU-UHFFFAOYSA-N -1 1 402.516 3.193 50 0 HGAAMM CC(=O)c1cccc(NC(=O)CSC2=Nc3cc(C)ccc3S(=O)(=O)[N-]2)c1 ZINC000006918654 569181521 /nfs/dbraw/zinc/18/15/21/569181521.db2.gz DYGJWOKMSVRHBL-UHFFFAOYSA-N -1 1 403.485 3.040 50 0 HGAAMM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3F)n2)c1 ZINC000006915688 569182285 /nfs/dbraw/zinc/18/22/85/569182285.db2.gz BHMBVOMZFFFTQC-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM COCCNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1C ZINC000007527743 569246036 /nfs/dbraw/zinc/24/60/36/569246036.db2.gz YKLVYRXZFIXZGJ-UHFFFAOYSA-N -1 1 413.952 3.382 50 0 HGAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000089646984 569261814 /nfs/dbraw/zinc/26/18/14/569261814.db2.gz YSVVPSKWODYWDP-UHFFFAOYSA-N -1 1 412.508 3.110 50 0 HGAAMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cc3ccccc3)c2)cc1 ZINC000016729852 569261829 /nfs/dbraw/zinc/26/18/29/569261829.db2.gz QYJCYCWALQYMMJ-UHFFFAOYSA-N -1 1 410.495 3.446 50 0 HGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016849687 569265659 /nfs/dbraw/zinc/26/56/59/569265659.db2.gz RHRLRQLKBYHFKC-UHFFFAOYSA-N -1 1 403.845 3.245 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)c(=O)[n-]1 ZINC000170640518 569282965 /nfs/dbraw/zinc/28/29/65/569282965.db2.gz PTZPGHOEEHOTRF-KBXCAEBGSA-N -1 1 401.532 3.030 50 0 HGAAMM CC(C)NC(=O)Nc1cccc(C(=O)OC2CCC([N-]C(=O)C(F)(F)F)CC2)c1 ZINC000079024109 569424662 /nfs/dbraw/zinc/42/46/62/569424662.db2.gz NTUYIHDILMZZDZ-UHFFFAOYSA-N -1 1 415.412 3.363 50 0 HGAAMM Cc1cccc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccc(C(N)=O)cc2)n1 ZINC000067297877 571072034 /nfs/dbraw/zinc/07/20/34/571072034.db2.gz XUCNCXHWEAXFSF-RWEWTDSWSA-N -1 1 414.421 3.425 50 0 HGAAMM Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000040267266 571214336 /nfs/dbraw/zinc/21/43/36/571214336.db2.gz LVDJAKWNGRNJHH-GFCCVEGCSA-N -1 1 409.837 3.409 50 0 HGAAMM NC(=O)c1ccsc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009714800 571281573 /nfs/dbraw/zinc/28/15/73/571281573.db2.gz VGGONRUHHXGEQY-UHFFFAOYSA-N -1 1 419.459 3.039 50 0 HGAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)NC2CC2)c1)c1cc(Cl)cc(Cl)c1 ZINC000010518324 571304209 /nfs/dbraw/zinc/30/42/09/571304209.db2.gz IUKPWYQMDHAAMJ-UHFFFAOYSA-N -1 1 421.327 3.235 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000005144808 132303160 /nfs/dbraw/zinc/30/31/60/132303160.db2.gz PVEYOBUEODXNRI-UHFFFAOYSA-N -1 1 410.499 3.089 50 0 HGAAMM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N([C@@H](C)CCc2ccccc2)C1=O ZINC000009089598 132335704 /nfs/dbraw/zinc/33/57/04/132335704.db2.gz XKZHFSRLQGIMQN-BXKMTCNYSA-N -1 1 405.498 3.073 50 0 HGAAMM COc1ccccc1N1CCN(c2nc(C)c(Cc3ccc(C)cc3)c(=O)[n-]2)CC1 ZINC000009625937 132341856 /nfs/dbraw/zinc/34/18/56/132341856.db2.gz VZEXGECXWGDKJI-UHFFFAOYSA-N -1 1 404.514 3.313 50 0 HGAAMM CC(=O)N[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C)cc1 ZINC000032898967 519695097 /nfs/dbraw/zinc/69/50/97/519695097.db2.gz ZQFJRONFCLHHRY-JOCHJYFZSA-N -1 1 408.498 3.389 50 0 HGAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)COc2ccc(C(C)C)cc2)n1 ZINC000007420423 521340298 /nfs/dbraw/zinc/34/02/98/521340298.db2.gz YKIWSQJKLZBBTO-UHFFFAOYSA-N -1 1 409.490 3.357 50 0 HGAAMM CCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002831001 557397904 /nfs/dbraw/zinc/39/79/04/557397904.db2.gz RPHQWTOOYCMPRX-UHFFFAOYSA-N -1 1 402.925 3.219 50 0 HGAAMM COc1ccc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nn[n-]n2)cc1OC ZINC000005670939 557667605 /nfs/dbraw/zinc/66/76/05/557667605.db2.gz QRUKDLALZQSZGJ-QGZVFWFLSA-N -1 1 403.442 3.335 50 0 HGAAMM COc1ccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nn[n-]n2)c(OC)c1 ZINC000006736123 557718344 /nfs/dbraw/zinc/71/83/44/557718344.db2.gz SQBAENTVDPIHNY-SFHVURJKSA-N -1 1 403.442 3.335 50 0 HGAAMM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4ccc(C(C)=O)cc4)CC3)c[nH]c21 ZINC000020745968 558411006 /nfs/dbraw/zinc/41/10/06/558411006.db2.gz NUSVVQGFLMQNPF-QFIPXVFZSA-N -1 1 407.470 3.327 50 0 HGAAMM COc1ccc([C@@H]2c3c([n-][nH]c3=O)C[C@@](C)(O)[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000012463100 558419696 /nfs/dbraw/zinc/41/96/96/558419696.db2.gz GSSMZDUIYCDSFR-KKLQWCBXSA-N -1 1 407.470 3.126 50 0 HGAAMM Cn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1[C@@H]1COc2ccccc2O1 ZINC000021184335 558433384 /nfs/dbraw/zinc/43/33/84/558433384.db2.gz HCDFHMLLTUTXGJ-SFHVURJKSA-N -1 1 423.450 3.432 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COc2c(C)cccc2C)c1 ZINC000012822272 558477631 /nfs/dbraw/zinc/47/76/31/558477631.db2.gz NLFHKFJDRFEUCR-UHFFFAOYSA-N -1 1 406.504 3.057 50 0 HGAAMM C[C@@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1)n1cncn1 ZINC000024576483 558601649 /nfs/dbraw/zinc/60/16/49/558601649.db2.gz HVBPRLULGKRYOA-HNNXBMFYSA-N -1 1 421.482 3.432 50 0 HGAAMM O=C(NC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1)c1ccc(F)cc1 ZINC000025212856 558634852 /nfs/dbraw/zinc/63/48/52/558634852.db2.gz FLTRDNSIDNHPEK-UHFFFAOYSA-N -1 1 421.266 3.328 50 0 HGAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OC(F)(F)O4)cc2C[C@@H]1C ZINC000028680679 558703472 /nfs/dbraw/zinc/70/34/72/558703472.db2.gz MJGHHFSLGBYVRB-JTQLQIEISA-N -1 1 410.398 3.106 50 0 HGAAMM Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000016504285 558794950 /nfs/dbraw/zinc/79/49/50/558794950.db2.gz VJRJXHPYFRKCCM-UHFFFAOYSA-N -1 1 422.466 3.218 50 0 HGAAMM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1ccco1 ZINC000033169902 558903302 /nfs/dbraw/zinc/90/33/02/558903302.db2.gz XDQFIBDNDGMNJS-JTQLQIEISA-N -1 1 422.319 3.334 50 0 HGAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(S(C)(=O)=O)sc3c2)cc1 ZINC000033298942 559048330 /nfs/dbraw/zinc/04/83/30/559048330.db2.gz WLUFTJWAEKAYRY-UHFFFAOYSA-N -1 1 410.542 3.453 50 0 HGAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2s1 ZINC000033299049 559048373 /nfs/dbraw/zinc/04/83/73/559048373.db2.gz DFIHCZGIXACPKD-UHFFFAOYSA-N -1 1 414.505 3.420 50 0 HGAAMM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000004812492 559069569 /nfs/dbraw/zinc/06/95/69/559069569.db2.gz DQHHZDFTNOCULU-RDJZCZTQSA-N -1 1 402.237 3.317 50 0 HGAAMM C[C@H](CNC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[n-]c1=O)n1ccnc1 ZINC000091519085 559072014 /nfs/dbraw/zinc/07/20/14/559072014.db2.gz SGCBTORUUPSKQC-OAHLLOKOSA-N -1 1 409.490 3.246 50 0 HGAAMM CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(C)nn1-c1cc(C)ccc1C ZINC000011651186 559119760 /nfs/dbraw/zinc/11/97/60/559119760.db2.gz CWSDYNGYTQUTPS-UHFFFAOYSA-N -1 1 400.508 3.235 50 0 HGAAMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])C(C(C)=O)=NN3c2ccc(Cl)cc2)cc1 ZINC000100982835 559142530 /nfs/dbraw/zinc/14/25/30/559142530.db2.gz XPFUFHULHQBIPD-PKOBYXMFSA-N -1 1 411.845 3.062 50 0 HGAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(-n2cccc2)cc1 ZINC000017360553 560711640 /nfs/dbraw/zinc/71/16/40/560711640.db2.gz CCXALUXVNYVSKL-UHFFFAOYSA-N -1 1 411.483 3.220 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)cc(OC)c1OC ZINC000005126427 560737015 /nfs/dbraw/zinc/73/70/15/560737015.db2.gz FGAIUSPFRTYYBD-UHFFFAOYSA-N -1 1 402.266 3.276 50 0 HGAAMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc21 ZINC000024372179 560759274 /nfs/dbraw/zinc/75/92/74/560759274.db2.gz RKXCTJYZEOKXFH-UHFFFAOYSA-N -1 1 400.378 3.295 50 0 HGAAMM COc1cccc(C2=NOC3=C([O-])N(c4ccc5ccccc5c4)C(=O)[C@H]23)c1OC ZINC000101299038 560791177 /nfs/dbraw/zinc/79/11/77/560791177.db2.gz ZHPZIJMAENJLMF-NQIIRXRSSA-N -1 1 402.406 3.150 50 0 HGAAMM Cc1ccc(CN(C(=O)c2ccccc2F)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860833 560804076 /nfs/dbraw/zinc/80/40/76/560804076.db2.gz JEWFIBKUQQJYHY-UHFFFAOYSA-N -1 1 405.433 3.329 50 0 HGAAMM O=C([O-])c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000102762384 560826294 /nfs/dbraw/zinc/82/62/94/560826294.db2.gz WDMCEWNAISSDKL-NJYVYQBISA-N -1 1 414.417 3.436 50 0 HGAAMM COc1ccc(CN(C(=O)c2cccc(C)c2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860898 560852431 /nfs/dbraw/zinc/85/24/31/560852431.db2.gz LCWWUFNGGQIWFT-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 ZINC000012126693 560889700 /nfs/dbraw/zinc/88/97/00/560889700.db2.gz PMBANTNZFULEEQ-UHFFFAOYSA-N -1 1 420.429 3.457 50 0 HGAAMM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000046017382 568423777 /nfs/dbraw/zinc/42/37/77/568423777.db2.gz ZAJGSTDNVSTOHN-UHFFFAOYSA-N -1 1 419.528 3.385 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3C)cc(OC)c1 ZINC000046053878 568425601 /nfs/dbraw/zinc/42/56/01/568425601.db2.gz RIQLMKLQMXRHBZ-UHFFFAOYSA-N -1 1 402.472 3.274 50 0 HGAAMM Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074527 568426988 /nfs/dbraw/zinc/42/69/88/568426988.db2.gz APNUDLHKLXFLDK-OAHLLOKOSA-N -1 1 420.494 3.435 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc(OC)c1OC ZINC000021031968 568659440 /nfs/dbraw/zinc/65/94/40/568659440.db2.gz DSQOOPQOLYFKOY-UHFFFAOYSA-N -1 1 404.444 3.477 50 0 HGAAMM COc1ccccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021111780 568668234 /nfs/dbraw/zinc/66/82/34/568668234.db2.gz VDUGZVFOVYXOKJ-SFHVURJKSA-N -1 1 402.497 3.415 50 0 HGAAMM COC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c1 ZINC000225737716 568669605 /nfs/dbraw/zinc/66/96/05/568669605.db2.gz FRCLUDMCYHGQGL-KRWDZBQOSA-N -1 1 410.470 3.287 50 0 HGAAMM COC(=O)C[C@H](NC(=O)CCc1ccc([O-])c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000096004276 568682134 /nfs/dbraw/zinc/68/21/34/568682134.db2.gz YJTSRMWJNSLWAT-INIZCTEOSA-N -1 1 421.877 3.416 50 0 HGAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1 ZINC000021756765 568752123 /nfs/dbraw/zinc/75/21/23/568752123.db2.gz FPCLZGVZWCZVBD-UHFFFAOYSA-N -1 1 402.516 3.366 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCO[C@H]4CCC[C@@H]43)c2)c1 ZINC000056193072 568793065 /nfs/dbraw/zinc/79/30/65/568793065.db2.gz OZHCVUYSFUJHMI-PMACEKPBSA-N -1 1 400.500 3.189 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C ZINC000012508242 568840142 /nfs/dbraw/zinc/84/01/42/568840142.db2.gz YQXXNAHQISLJEY-UHFFFAOYSA-N -1 1 422.450 3.065 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012521443 568841822 /nfs/dbraw/zinc/84/18/22/568841822.db2.gz XLQZUEPAGGTNPJ-HOTGVXAUSA-N -1 1 418.515 3.136 50 0 HGAAMM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000012548391 568851650 /nfs/dbraw/zinc/85/16/50/568851650.db2.gz YCUKIVQMRMHCPU-HZPDHXFCSA-N -1 1 400.456 3.093 50 0 HGAAMM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1OC ZINC000012583172 568865382 /nfs/dbraw/zinc/86/53/82/568865382.db2.gz BVSXRRIDKMZGMO-UHFFFAOYSA-N -1 1 419.814 3.004 50 0 HGAAMM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1 ZINC000058009241 568875053 /nfs/dbraw/zinc/87/50/53/568875053.db2.gz HZYWBOUODKYURX-UHFFFAOYSA-N -1 1 417.531 3.061 50 0 HGAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1N1CCCC1=O ZINC000012652524 568906542 /nfs/dbraw/zinc/90/65/42/568906542.db2.gz WWEUAPMVLIZTJT-UHFFFAOYSA-N -1 1 402.472 3.084 50 0 HGAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000012652801 568906666 /nfs/dbraw/zinc/90/66/66/568906666.db2.gz VXZLFZFPUXTPJS-UHFFFAOYSA-N -1 1 408.545 3.226 50 0 HGAAMM O=C(Nc1nnc(C2CC2)s1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012731638 568922769 /nfs/dbraw/zinc/92/27/69/568922769.db2.gz MQTUXUPOASCQGI-UHFFFAOYSA-N -1 1 400.485 3.469 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nc(C)cc2C)cc1NC(C)=O ZINC000031535289 568927730 /nfs/dbraw/zinc/92/77/30/568927730.db2.gz IACWGEOETJMHMA-UHFFFAOYSA-N -1 1 414.487 3.257 50 0 HGAAMM C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000084637134 568953928 /nfs/dbraw/zinc/95/39/28/568953928.db2.gz WOGLAICMAMLOPL-KXBFYZLASA-N -1 1 414.483 3.322 50 0 HGAAMM O=C(Nc1cccc(CO)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008033484 568969517 /nfs/dbraw/zinc/96/95/17/568969517.db2.gz RQUBQNVWSFICAG-UHFFFAOYSA-N -1 1 400.431 3.371 50 0 HGAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccnn3C)CC(=O)O4)c2=O)cc1 ZINC000085879920 569009811 /nfs/dbraw/zinc/00/98/11/569009811.db2.gz MZACNMXOLUFJDC-AWEZNQCLSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccnn2C)cc1 ZINC000085879920 569009812 /nfs/dbraw/zinc/00/98/12/569009812.db2.gz MZACNMXOLUFJDC-AWEZNQCLSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM O=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000012870798 569013196 /nfs/dbraw/zinc/01/31/96/569013196.db2.gz DPRYWGPHNZFNHG-UHFFFAOYSA-N -1 1 412.870 3.150 50 0 HGAAMM COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2[O-])N2CCOCC2)cc1 ZINC000012928541 569024336 /nfs/dbraw/zinc/02/43/36/569024336.db2.gz DZEAUOTWXHXSKD-JOCHJYFZSA-N -1 1 406.482 3.357 50 0 HGAAMM CCCN1C(=O)C(=CNc2cc(C(C)(C)C)nn2-c2ccccc2)C(=O)[N-]C1=S ZINC000006907438 569048593 /nfs/dbraw/zinc/04/85/93/569048593.db2.gz OXXLOPGURDSQJO-SQFISAMPSA-N -1 1 411.531 3.119 50 0 HGAAMM CCC(Nc1ccc(Nc2ccccc2)cc1)=C1C(=O)[N-]C(=S)N(CCOC)C1=O ZINC000105210079 569053502 /nfs/dbraw/zinc/05/35/02/569053502.db2.gz NTQOPBCVDZPWBX-VHEBQXMUSA-N -1 1 424.526 3.396 50 0 HGAAMM CCn1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cc2C(=O)[O-])cn1 ZINC000089309922 569058415 /nfs/dbraw/zinc/05/84/15/569058415.db2.gz JRDVFYZBGJJQFE-UHFFFAOYSA-N -1 1 412.471 3.096 50 0 HGAAMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3C)ccc21 ZINC000006728992 569102196 /nfs/dbraw/zinc/10/21/96/569102196.db2.gz GRCXMWNQWHMVBT-UHFFFAOYSA-N -1 1 409.305 3.467 50 0 HGAAMM Cc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000064991589 569149115 /nfs/dbraw/zinc/14/91/15/569149115.db2.gz WKNVORYCAXNWBF-UHFFFAOYSA-N -1 1 422.919 3.231 50 0 HGAAMM CC[C@@H](C)[C@H](CO)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000036569687 569200867 /nfs/dbraw/zinc/20/08/67/569200867.db2.gz LVUCAFLVXMAPCB-PBHICJAKSA-N -1 1 411.454 3.068 50 0 HGAAMM CC[C@@H](C)[C@H](CO)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000036569687 569200868 /nfs/dbraw/zinc/20/08/68/569200868.db2.gz LVUCAFLVXMAPCB-PBHICJAKSA-N -1 1 411.454 3.068 50 0 HGAAMM O=C(NCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000089836521 569266831 /nfs/dbraw/zinc/26/68/31/569266831.db2.gz YFJQLHVOSNRNFP-UHFFFAOYSA-N -1 1 410.451 3.146 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](C)C[C@@H](C)O)c2)c1 ZINC000078869585 569420857 /nfs/dbraw/zinc/42/08/57/569420857.db2.gz MADAOQCEZKWKJE-NVXWUHKLSA-N -1 1 404.532 3.241 50 0 HGAAMM COc1cc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000067298520 571072388 /nfs/dbraw/zinc/07/23/88/571072388.db2.gz YLTYGFLOIRAMIR-KZIRDTCISA-N -1 1 424.453 3.297 50 0 HGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1F ZINC000067298874 571073025 /nfs/dbraw/zinc/07/30/25/571073025.db2.gz SXUDRDQQVUEAFD-WGJYXZIMSA-N -1 1 412.417 3.427 50 0 HGAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1cccnc1 ZINC000008764414 571114623 /nfs/dbraw/zinc/11/46/23/571114623.db2.gz IQCYILGQRPSDHY-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1cccnc1 ZINC000008764414 571114626 /nfs/dbraw/zinc/11/46/26/571114626.db2.gz IQCYILGQRPSDHY-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C1CCC1 ZINC000008778954 571118463 /nfs/dbraw/zinc/11/84/63/571118463.db2.gz MRMQHBPEKQMHPF-UHFFFAOYSA-N -1 1 402.472 3.387 50 0 HGAAMM O=C(COC(=O)c1cnc(Cl)c(Cl)c1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000039587353 571133755 /nfs/dbraw/zinc/13/37/55/571133755.db2.gz JLNXVDJIPVEERX-UHFFFAOYSA-N -1 1 419.167 3.103 50 0 HGAAMM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc2OCC(C)(C)C1=O ZINC000009170612 571233689 /nfs/dbraw/zinc/23/36/89/571233689.db2.gz VZUNHNDSKZBSIK-UHFFFAOYSA-N -1 1 422.478 3.407 50 0 HGAAMM CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(CCC2=CCCCC2)c1[O-] ZINC000009331928 571248893 /nfs/dbraw/zinc/24/88/93/571248893.db2.gz KWUIYOMYMPIQMR-OAQYLSRUSA-N -1 1 420.513 3.191 50 0 biogenic HGAAMM CC(=O)Nc1nc(SCc2ccc(F)cc2)[n-]c(=O)c1NC(=O)c1cccs1 ZINC000009518286 571265540 /nfs/dbraw/zinc/26/55/40/571265540.db2.gz HKFGFZQKWMQVAO-UHFFFAOYSA-N -1 1 418.475 3.474 50 0 HGAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009641238 571275770 /nfs/dbraw/zinc/27/57/70/571275770.db2.gz NOABEUSKTYKNLX-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(Cl)ccc1Cl ZINC000010251184 571298050 /nfs/dbraw/zinc/29/80/50/571298050.db2.gz GNMQLGKPQUACME-UHFFFAOYSA-N -1 1 400.225 3.273 50 0 HGAAMM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 ZINC000008609909 132331613 /nfs/dbraw/zinc/33/16/13/132331613.db2.gz CGQLYMAPGNAOGV-UHFFFAOYSA-N -1 1 424.526 3.343 50 0 HGAAMM CC[C@H](C)N1C(=O)[C@]2(Cc3c(Cl)cccc3N3CCCC[C@@H]32)C(=O)[N-]C1=S ZINC000008738506 132332824 /nfs/dbraw/zinc/33/28/24/132332824.db2.gz STQPTDBQPUDKPZ-KRYHZZBUSA-N -1 1 405.951 3.283 50 0 HGAAMM COc1ccc(Br)cc1CN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000032921957 523497351 /nfs/dbraw/zinc/49/73/51/523497351.db2.gz KZJYJUXXNROKGU-UHFFFAOYSA-N -1 1 416.275 3.275 50 0 HGAAMM COc1ccc(Br)cc1CN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000032921957 523497356 /nfs/dbraw/zinc/49/73/56/523497356.db2.gz KZJYJUXXNROKGU-UHFFFAOYSA-N -1 1 416.275 3.275 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)cc1 ZINC000000629833 557025673 /nfs/dbraw/zinc/02/56/73/557025673.db2.gz VTRIEBWNZUXXEF-UHFFFAOYSA-N -1 1 407.455 3.156 50 0 HGAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000000980206 557130089 /nfs/dbraw/zinc/13/00/89/557130089.db2.gz ZFSHFJZVJJPLHL-UHFFFAOYSA-N -1 1 406.460 3.427 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000001145436 557207510 /nfs/dbraw/zinc/20/75/10/557207510.db2.gz NJDZLGNIAGGUMV-UHFFFAOYSA-N -1 1 418.496 3.297 50 0 HGAAMM CC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003991885 557504353 /nfs/dbraw/zinc/50/43/53/557504353.db2.gz YGSZRMQHSJVEJJ-UHFFFAOYSA-N -1 1 402.925 3.218 50 0 HGAAMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nnc(C2CC2)s1 ZINC000021291881 558434844 /nfs/dbraw/zinc/43/48/44/558434844.db2.gz RBJAANNQXIXVNX-ZETCQYMHSA-N -1 1 421.331 3.028 50 0 HGAAMM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ncccc1[O-] ZINC000012631701 558442050 /nfs/dbraw/zinc/44/20/50/558442050.db2.gz IDASQIWRHBVXRZ-UHFFFAOYSA-N -1 1 404.348 3.430 50 0 HGAAMM O=C(NCCCN(C(=O)c1ccco1)C1CCCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000022472243 558491508 /nfs/dbraw/zinc/49/15/08/558491508.db2.gz BAIWXHSILISKIE-UHFFFAOYSA-N -1 1 422.485 3.111 50 0 HGAAMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C ZINC000072236019 558635490 /nfs/dbraw/zinc/63/54/90/558635490.db2.gz UAQZIYDHPZPAPS-HNNXBMFYSA-N -1 1 412.486 3.290 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000014230960 558639902 /nfs/dbraw/zinc/63/99/02/558639902.db2.gz ODOPIPWXWLMDFV-UHFFFAOYSA-N -1 1 414.886 3.396 50 0 HGAAMM CSc1ccc(-c2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000035066935 558788255 /nfs/dbraw/zinc/78/82/55/558788255.db2.gz XUFGDRHRXCGZBK-UHFFFAOYSA-N -1 1 412.496 3.314 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000016624829 558796972 /nfs/dbraw/zinc/79/69/72/558796972.db2.gz QFUGSEVRVCWKNH-UHFFFAOYSA-N -1 1 406.529 3.454 50 0 HGAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2s1 ZINC000033007532 558828367 /nfs/dbraw/zinc/82/83/67/558828367.db2.gz MAOQGPKFTHHFGN-UHFFFAOYSA-N -1 1 421.500 3.463 50 0 HGAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000018061242 558830265 /nfs/dbraw/zinc/83/02/65/558830265.db2.gz MFOLNEKYHQMKCL-CALCHBBNSA-N -1 1 402.516 3.354 50 0 HGAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(Br)c1)CC(=O)N2 ZINC000021784431 558949657 /nfs/dbraw/zinc/94/96/57/558949657.db2.gz ZCRRPTJJNIVCOS-VIFPVBQESA-N -1 1 410.293 3.127 50 0 HGAAMM O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)NCc1cccnc1 ZINC000023138223 559019681 /nfs/dbraw/zinc/01/96/81/559019681.db2.gz AGKDGHVTNIGZBA-UHFFFAOYSA-N -1 1 400.891 3.382 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)cc1 ZINC000004742177 559044642 /nfs/dbraw/zinc/04/46/42/559044642.db2.gz MTTCDUGPLJQETH-UHFFFAOYSA-N -1 1 406.460 3.021 50 0 HGAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000100452237 559202792 /nfs/dbraw/zinc/20/27/92/559202792.db2.gz RSIDXQXEVZMSGK-VSKRKVRLSA-N -1 1 416.433 3.452 50 0 HGAAMM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000005136867 559249898 /nfs/dbraw/zinc/24/98/98/559249898.db2.gz GWSGPHYWISIFNF-UHFFFAOYSA-N -1 1 416.524 3.353 50 0 HGAAMM O=C(Cc1cccs1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012010468 559271103 /nfs/dbraw/zinc/27/11/03/559271103.db2.gz DFPWEWKASHGOQH-UHFFFAOYSA-N -1 1 421.482 3.337 50 0 HGAAMM Cc1ccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000012008325 559271123 /nfs/dbraw/zinc/27/11/23/559271123.db2.gz YZGSLTUUALANKG-UHFFFAOYSA-N -1 1 419.441 3.158 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000016552272 560730817 /nfs/dbraw/zinc/73/08/17/560730817.db2.gz VQXPGDOETOIZSQ-UHFFFAOYSA-N -1 1 424.501 3.017 50 0 HGAAMM COc1cccc(C2=NOC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@H]23)c1OC ZINC000101284059 560790500 /nfs/dbraw/zinc/79/05/00/560790500.db2.gz ZUZFZDHKTNXWCH-NQIIRXRSSA-N -1 1 402.406 3.150 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000046074192 568426790 /nfs/dbraw/zinc/42/67/90/568426790.db2.gz CVUKHYVQRIYNKG-LBPRGKRZSA-N -1 1 406.895 3.380 50 0 HGAAMM CCCCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCC)[n-]c(=O)c32)cc1 ZINC000046075464 568426991 /nfs/dbraw/zinc/42/69/91/568426991.db2.gz OAYYPDGDHPXKCH-AWEZNQCLSA-N -1 1 400.504 3.289 50 0 HGAAMM CCCCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCC)[n-]c(=O)c32)cc1 ZINC000046075461 568427037 /nfs/dbraw/zinc/42/70/37/568427037.db2.gz OAYYPDGDHPXKCH-CQSZACIVSA-N -1 1 400.504 3.289 50 0 HGAAMM Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)N(C)C)cc1 ZINC000095431116 568609127 /nfs/dbraw/zinc/60/91/27/568609127.db2.gz NEJYIXPEJSZHDY-NSHDSACASA-N -1 1 408.392 3.272 50 0 HGAAMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000040158564 568627101 /nfs/dbraw/zinc/62/71/01/568627101.db2.gz SQPCSQKQZONNFQ-IBGZPJMESA-N -1 1 404.474 3.238 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000028834930 568639622 /nfs/dbraw/zinc/63/96/22/568639622.db2.gz RTKURBYPVWCLAS-UHFFFAOYSA-N -1 1 414.430 3.276 50 0 HGAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc(OC)c(O)c1 ZINC000096114218 568693992 /nfs/dbraw/zinc/69/39/92/568693992.db2.gz IFMKPPQAOITXTE-INIZCTEOSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc(O)c(OC)c1 ZINC000096115004 568694707 /nfs/dbraw/zinc/69/47/07/568694707.db2.gz OJRHUIRROVTQQN-MRXNPFEDSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc(OC)c2c(c1)OCCO2 ZINC000096115593 568695369 /nfs/dbraw/zinc/69/53/69/568695369.db2.gz KSMPWRSVPKJHQJ-MRXNPFEDSA-N -1 1 424.453 3.181 50 0 biogenic HGAAMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2nc(C3CC3)no2)cc1 ZINC000096119617 568698797 /nfs/dbraw/zinc/69/87/97/568698797.db2.gz JAZOWTWIHIXWOA-UHFFFAOYSA-N -1 1 413.455 3.125 50 0 HGAAMM COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000058364151 568699416 /nfs/dbraw/zinc/69/94/16/568699416.db2.gz KCZOYJDUKWNRQX-UHFFFAOYSA-N -1 1 400.250 3.265 50 0 HGAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc2ccccc2[nH]c1=O ZINC000096230736 568706853 /nfs/dbraw/zinc/70/68/53/568706853.db2.gz VEBVBTKLHYKGGQ-MRXNPFEDSA-N -1 1 403.438 3.243 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)n1 ZINC000012415732 568718042 /nfs/dbraw/zinc/71/80/42/568718042.db2.gz VEHUOYFSHQSKEX-UHFFFAOYSA-N -1 1 418.475 3.091 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCO[C@H]4CCC[C@H]43)c2)c1 ZINC000056193074 568793024 /nfs/dbraw/zinc/79/30/24/568793024.db2.gz OZHCVUYSFUJHMI-UXHICEINSA-N -1 1 400.500 3.189 50 0 HGAAMM COc1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C(C)C)cc1 ZINC000056326841 568801492 /nfs/dbraw/zinc/80/14/92/568801492.db2.gz NGOYDCHMFWJASJ-NRFANRHFSA-N -1 1 406.486 3.205 50 0 HGAAMM O=C(Nn1cnc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548156 568851342 /nfs/dbraw/zinc/85/13/42/568851342.db2.gz GJWWIJUGJSUDGW-UHFFFAOYSA-N -1 1 410.430 3.360 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000012605463 568870982 /nfs/dbraw/zinc/87/09/82/568870982.db2.gz PGYIPXLJNPRFII-IAGOWNOFSA-N -1 1 402.516 3.354 50 0 HGAAMM O=S(=O)([N-]c1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2c(c1)OCCO2 ZINC000004249106 568953947 /nfs/dbraw/zinc/95/39/47/568953947.db2.gz UKWDGUUDCVSCEI-UHFFFAOYSA-N -1 1 415.496 3.228 50 0 HGAAMM CCC(CC)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)OC ZINC000084727345 568957231 /nfs/dbraw/zinc/95/72/31/568957231.db2.gz KMOYUNQPZJPPAJ-HXUWFJFHSA-N -1 1 419.547 3.454 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc(OC)c1 ZINC000015730337 568980946 /nfs/dbraw/zinc/98/09/46/568980946.db2.gz WBBZTLWSFGOXQE-NSHDSACASA-N -1 1 408.501 3.327 50 0 HGAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c(OC)c2c1OCCO2 ZINC000085412241 568986322 /nfs/dbraw/zinc/98/63/22/568986322.db2.gz GISKLDRQHTXVSX-QGZVFWFLSA-N -1 1 405.476 3.432 50 0 HGAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000015870029 569017136 /nfs/dbraw/zinc/01/71/36/569017136.db2.gz FHSTXUYXRNRXNY-UHFFFAOYSA-N -1 1 421.500 3.463 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(C)C)C(=O)[C@H](C)O3)cc1F ZINC000035886840 569064678 /nfs/dbraw/zinc/06/46/78/569064678.db2.gz JFTXDXFECFSMPA-AWEZNQCLSA-N -1 1 406.479 3.453 50 0 HGAAMM Cc1cccc(-c2csc3c2[n-]c(N2CCC(C(=O)NC4CC4)CC2)nc3=O)c1 ZINC000064611786 569074498 /nfs/dbraw/zinc/07/44/98/569074498.db2.gz KXCSKYBZGUHEAV-UHFFFAOYSA-N -1 1 408.527 3.455 50 0 HGAAMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006623271 569075107 /nfs/dbraw/zinc/07/51/07/569075107.db2.gz JGWFVLIRGXKNQY-UHFFFAOYSA-N -1 1 416.524 3.425 50 0 HGAAMM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)c2c1 ZINC000006624420 569075561 /nfs/dbraw/zinc/07/55/61/569075561.db2.gz QHRTYFOZQOQFGZ-UHFFFAOYSA-N -1 1 406.438 3.198 50 0 biogenic HGAAMM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1 ZINC000064843836 569107708 /nfs/dbraw/zinc/10/77/08/569107708.db2.gz SPSGEMTXCQNSEO-AWEZNQCLSA-N -1 1 403.504 3.379 50 0 HGAAMM O=C(CSc1nc(-c2cccs2)nc2cc(=O)[n-]n21)Nc1ccc(F)cc1 ZINC000006915856 569181073 /nfs/dbraw/zinc/18/10/73/569181073.db2.gz KPZRFBCZKHORKC-UHFFFAOYSA-N -1 1 401.448 3.016 50 0 HGAAMM CCN(CC)C(=O)c1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)oc1C ZINC000065293899 569218528 /nfs/dbraw/zinc/21/85/28/569218528.db2.gz GRUJMJOYBIIDQT-UHFFFAOYSA-N -1 1 420.318 3.250 50 0 HGAAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(CCc4cccnc4)cc3)cc2c(=O)[nH]1 ZINC000240068072 569239895 /nfs/dbraw/zinc/23/98/95/569239895.db2.gz SHQGKGAURGQGAF-UHFFFAOYSA-N -1 1 422.466 3.022 50 0 HGAAMM COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000170593373 569241145 /nfs/dbraw/zinc/24/11/45/569241145.db2.gz WRIIXSGEFOWXST-UHFFFAOYSA-N -1 1 404.213 3.096 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1F ZINC000013696999 569257010 /nfs/dbraw/zinc/25/70/10/569257010.db2.gz NUOUDXBOUSGJJZ-UHFFFAOYSA-N -1 1 404.463 3.324 50 0 HGAAMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccc1Br ZINC000017011095 569271410 /nfs/dbraw/zinc/27/14/10/569271410.db2.gz MTLVCQJYEKMTKP-UHFFFAOYSA-N -1 1 421.316 3.394 50 0 HGAAMM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2CCC1=O ZINC000008840741 571123777 /nfs/dbraw/zinc/12/37/77/571123777.db2.gz RQCXDDSLHZCMNA-UHFFFAOYSA-N -1 1 416.499 3.338 50 0 HGAAMM CCc1cccc(CC)c1NC(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000040138922 571188791 /nfs/dbraw/zinc/18/87/91/571188791.db2.gz WNTOXTMCKGSFKX-UHFFFAOYSA-N -1 1 410.517 3.040 50 0 HGAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cccc(OC(F)F)c1 ZINC000069673579 571238248 /nfs/dbraw/zinc/23/82/48/571238248.db2.gz YLQUDUMDRJLGKB-UHFFFAOYSA-N -1 1 412.414 3.030 50 0 HGAAMM C[C@H]1CN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C[C@H](C)O1 ZINC000009486275 571262394 /nfs/dbraw/zinc/26/23/94/571262394.db2.gz GHCWLGOHHUXUIO-GJZGRUSLSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM C[C@H]1CN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)C[C@H](C)O1 ZINC000009486275 571262395 /nfs/dbraw/zinc/26/23/95/571262395.db2.gz GHCWLGOHHUXUIO-GJZGRUSLSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1cc(Br)ccc1Cl)c2=O ZINC000010250817 571298141 /nfs/dbraw/zinc/29/81/41/571298141.db2.gz YBWSBFHHNPKSGG-UHFFFAOYSA-N -1 1 424.686 3.148 50 0 HGAAMM CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000009138087 132336559 /nfs/dbraw/zinc/33/65/59/132336559.db2.gz KCPCDTNNTCDLKP-DVECYGJZSA-N -1 1 420.513 3.323 50 0 HGAAMM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1OC ZINC000032586153 524686088 /nfs/dbraw/zinc/68/60/88/524686088.db2.gz ATXZVAXZJLUWCE-UHFFFAOYSA-N -1 1 422.278 3.027 50 0 HGAAMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)c1n[n-]c(=S)n1CCN1CCOCC1 ZINC000032934884 525060619 /nfs/dbraw/zinc/06/06/19/525060619.db2.gz UMQSXVXAEDPHMU-SFHVURJKSA-N -1 1 417.579 3.099 50 0 HGAAMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nnc(C2CC2)s1 ZINC000032969082 525574183 /nfs/dbraw/zinc/57/41/83/525574183.db2.gz RBJAANNQXIXVNX-SSDOTTSWSA-N -1 1 421.331 3.028 50 0 HGAAMM COCCn1c2ccccc2nc1SCC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000009073807 557017680 /nfs/dbraw/zinc/01/76/80/557017680.db2.gz GSTXGHOAEAEXTQ-UHFFFAOYSA-N -1 1 403.891 3.385 50 0 HGAAMM COCCCNC(=S)Nc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002160838 557320727 /nfs/dbraw/zinc/32/07/27/557320727.db2.gz TZAMOBXHCASUNL-UHFFFAOYSA-N -1 1 407.561 3.427 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000004742360 557591192 /nfs/dbraw/zinc/59/11/92/557591192.db2.gz XONYKGIVWCKATK-MRXNPFEDSA-N -1 1 408.545 3.216 50 0 HGAAMM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853630 557840198 /nfs/dbraw/zinc/84/01/98/557840198.db2.gz UCUPWFOOLZWHNP-MRXNPFEDSA-N -1 1 418.494 3.172 50 0 HGAAMM CCOC(=O)[C@]([N-]c1ccccc1OC)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000012412313 558401180 /nfs/dbraw/zinc/40/11/80/558401180.db2.gz QFGNEVKPJIAUCM-SFHVURJKSA-N -1 1 414.355 3.498 50 0 HGAAMM CCc1cc2c(COC(=O)[C@@H](C)NC(=O)c3cccc(C)c3)cc(=O)oc2cc1[O-] ZINC000013063225 558510562 /nfs/dbraw/zinc/51/05/62/558510562.db2.gz OQMYRBWCRHVKBB-CQSZACIVSA-N -1 1 409.438 3.231 50 0 HGAAMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000022903367 558519469 /nfs/dbraw/zinc/51/94/69/558519469.db2.gz DGVRDCHINWHRLA-UHFFFAOYSA-N -1 1 400.456 3.076 50 0 HGAAMM CCOC(=O)c1sc2[n-]c(COC(=O)c3c(F)cccc3F)nc(=O)c2c1C ZINC000013682949 558567639 /nfs/dbraw/zinc/56/76/39/558567639.db2.gz DREHKGWONFIQIK-UHFFFAOYSA-N -1 1 408.382 3.105 50 0 HGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1OC ZINC000013893492 558600032 /nfs/dbraw/zinc/60/00/32/558600032.db2.gz HWOLKTOIZQDVQX-NPPSCJOGSA-N -1 1 424.453 3.297 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000025378637 558639327 /nfs/dbraw/zinc/63/93/27/558639327.db2.gz DEODQPKPXHASGE-OAHLLOKOSA-N -1 1 408.907 3.358 50 0 HGAAMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000026545355 558662963 /nfs/dbraw/zinc/66/29/63/558662963.db2.gz VTILCJYWUMNZPM-UHFFFAOYSA-N -1 1 422.500 3.052 50 0 HGAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OC(F)(F)O4)cc2C[C@H]1C ZINC000028680677 558703549 /nfs/dbraw/zinc/70/35/49/558703549.db2.gz MJGHHFSLGBYVRB-SNVBAGLBSA-N -1 1 410.398 3.106 50 0 HGAAMM COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000015514600 558742173 /nfs/dbraw/zinc/74/21/73/558742173.db2.gz PSSBUKQCHVKYNR-UHFFFAOYSA-N -1 1 404.213 3.096 50 0 HGAAMM CCOc1cc2c(cc1OCC)[C@H](c1ccc(OCC(=O)[O-])c(OC)c1)NCC2 ZINC000004577246 558751100 /nfs/dbraw/zinc/75/11/00/558751100.db2.gz OLBLALJILDGNIY-QFIPXVFZSA-N -1 1 401.459 3.191 50 0 biogenic HGAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)c1 ZINC000033115322 558761527 /nfs/dbraw/zinc/76/15/27/558761527.db2.gz DBADVHVGPNYMIK-LJQANCHMSA-N -1 1 414.527 3.123 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 ZINC000033227250 558913712 /nfs/dbraw/zinc/91/37/12/558913712.db2.gz YQLMIRAQUPNGIF-INIZCTEOSA-N -1 1 420.531 3.446 50 0 HGAAMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1OCCC ZINC000060165889 558941446 /nfs/dbraw/zinc/94/14/46/558941446.db2.gz OVEZDYKQDMPBRT-UHFFFAOYSA-N -1 1 417.491 3.041 50 0 HGAAMM COc1cccc(CSc2nc(CC(=O)NCc3cccs3)cc(=O)[n-]2)c1 ZINC000023138111 559018531 /nfs/dbraw/zinc/01/85/31/559018531.db2.gz TUPFFXIPESUVRJ-UHFFFAOYSA-N -1 1 401.513 3.404 50 0 HGAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033276983 559036656 /nfs/dbraw/zinc/03/66/56/559036656.db2.gz FHBADPDPIHZWCU-UHFFFAOYSA-N -1 1 420.494 3.401 50 0 HGAAMM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])C(C(C)=O)=NN3c2ccc(Cl)cc2)cc1 ZINC000100982833 559142441 /nfs/dbraw/zinc/14/24/41/559142441.db2.gz XPFUFHULHQBIPD-MJGOQNOKSA-N -1 1 411.845 3.062 50 0 HGAAMM COc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005023611 559229785 /nfs/dbraw/zinc/22/97/85/559229785.db2.gz KNVDZKUARCPDPN-APSNUPSMSA-N -1 1 412.511 3.162 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1C ZINC000005075837 559241043 /nfs/dbraw/zinc/24/10/43/559241043.db2.gz LFWSVBCDQREPEG-UHFFFAOYSA-N -1 1 414.936 3.298 50 0 HGAAMM O=C(NC[C@@H]1COc2ccccc2O1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000008725723 560637884 /nfs/dbraw/zinc/63/78/84/560637884.db2.gz LMFITHQLIFENFZ-GOSISDBHSA-N -1 1 424.478 3.057 50 0 HGAAMM COc1ccc(OC)c(C2=NOC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@H]23)c1 ZINC000101262935 560790053 /nfs/dbraw/zinc/79/00/53/560790053.db2.gz WGXAYLOIOLKDDP-CTNGQTDRSA-N -1 1 402.406 3.150 50 0 HGAAMM Cc1ccc(-n2nc3c4cc(C(=O)NC[C@H]5CCCO5)ccc4[n-]cc-3c2=O)cc1 ZINC000101281964 560790416 /nfs/dbraw/zinc/79/04/16/560790416.db2.gz UQRRCPFWBMMTIC-QGZVFWFLSA-N -1 1 402.454 3.036 50 0 HGAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000013361032 560806047 /nfs/dbraw/zinc/80/60/47/560806047.db2.gz LJRPSPRNEZICLF-UHFFFAOYSA-N -1 1 400.250 3.265 50 0 HGAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2cccs2)n1C)c1nc(C)cs1 ZINC000103035052 560836634 /nfs/dbraw/zinc/83/66/34/560836634.db2.gz CGQNDTWXLFKVLO-CYBMUJFWSA-N -1 1 422.557 3.317 50 0 HGAAMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000014867750 560850541 /nfs/dbraw/zinc/85/05/41/560850541.db2.gz LCQGLTMEVMVYOB-UHFFFAOYSA-N -1 1 418.334 3.270 50 0 HGAAMM Cc1ccc(C)c(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1 ZINC000051316678 560856548 /nfs/dbraw/zinc/85/65/48/560856548.db2.gz NYEUQEXICRQHOQ-UHFFFAOYSA-N -1 1 405.483 3.456 50 0 HGAAMM COc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])cc3O)cs2)cc1OC ZINC000018349681 560870565 /nfs/dbraw/zinc/87/05/65/560870565.db2.gz WUVLCJPNVCFYMG-UHFFFAOYSA-N -1 1 415.423 3.278 50 0 HGAAMM Cc1ccc([C@H]2C[C@H](c3ccccc3)N3NC(NC(=O)CCCC(=O)[O-])=NC3=N2)cc1 ZINC000034118484 568530660 /nfs/dbraw/zinc/53/06/60/568530660.db2.gz QFBRPESVYFHLCU-RTBURBONSA-N -1 1 419.485 3.084 50 0 HGAAMM Cc1nc2[n-]cnn2c(=O)c1CCSc1nnc(NCc2ccc(F)cc2)s1 ZINC000096010394 568683838 /nfs/dbraw/zinc/68/38/38/568683838.db2.gz ZKFIKIRGRBSRMB-UHFFFAOYSA-N -1 1 417.495 3.076 50 0 HGAAMM CCCCn1c(O)c(C(=O)NC2C(=O)c3ccccc3N=C2[O-])c(=O)c2ccccc21 ZINC000005883667 568828158 /nfs/dbraw/zinc/82/81/58/568828158.db2.gz LDASYOVQSDPEDS-UHFFFAOYSA-N -1 1 419.437 3.307 50 0 HGAAMM Cc1cc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)no1 ZINC000031651629 568837301 /nfs/dbraw/zinc/83/73/01/568837301.db2.gz SKLPQZJXZSJZEC-UHFFFAOYSA-N -1 1 403.435 3.195 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000012521163 568841697 /nfs/dbraw/zinc/84/16/97/568841697.db2.gz FPRQSKDUOBBMFC-HOTGVXAUSA-N -1 1 402.516 3.354 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCOCC3CC3)c2)cc1 ZINC000012526050 568843084 /nfs/dbraw/zinc/84/30/84/568843084.db2.gz GUPMLUSDYSQKCN-UHFFFAOYSA-N -1 1 402.516 3.342 50 0 HGAAMM CCOC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2o1 ZINC000003219966 568847321 /nfs/dbraw/zinc/84/73/21/568847321.db2.gz KJDIDJCGGLXAIJ-UHFFFAOYSA-N -1 1 422.484 3.292 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCOC(C)C)cc2)cc1 ZINC000012604836 568870856 /nfs/dbraw/zinc/87/08/56/568870856.db2.gz PPSWCOQJDUCVQE-UHFFFAOYSA-N -1 1 406.504 3.041 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2)cc1 ZINC000012605116 568871036 /nfs/dbraw/zinc/87/10/36/568871036.db2.gz ZDBLHTYPPZFBCD-OAHLLOKOSA-N -1 1 411.483 3.382 50 0 HGAAMM C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000084637138 568953866 /nfs/dbraw/zinc/95/38/66/568953866.db2.gz WOGLAICMAMLOPL-HNAYVOBHSA-N -1 1 414.483 3.322 50 0 HGAAMM CCOC(=O)c1c(C)c(C(=O)OCc2ccccc2)[n-]c1I ZINC000000638626 569012362 /nfs/dbraw/zinc/01/23/62/569012362.db2.gz SEDQIVBZRAUZBB-UHFFFAOYSA-N -1 1 413.211 3.461 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000015980920 569025304 /nfs/dbraw/zinc/02/53/04/569025304.db2.gz BRUAHMOSNKHHCV-UHFFFAOYSA-N -1 1 400.273 3.355 50 0 HGAAMM O=C([O-])[C@@H](c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227178841 569040035 /nfs/dbraw/zinc/04/00/35/569040035.db2.gz JKKRBOBZGKWIHX-FOIQADDNSA-N -1 1 421.453 3.343 50 0 HGAAMM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1 ZINC000064843872 569107724 /nfs/dbraw/zinc/10/77/24/569107724.db2.gz GTUNOIDBAQSOFP-ZDUSSCGKSA-N -1 1 417.487 3.020 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc(OC)c1 ZINC000006866404 569159209 /nfs/dbraw/zinc/15/92/09/569159209.db2.gz RAZNVYSKBRXCBS-CYBMUJFWSA-N -1 1 416.499 3.192 50 0 HGAAMM CC[C@H]1Sc2ccc(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cc2NC1=O ZINC000006867665 569160086 /nfs/dbraw/zinc/16/00/86/569160086.db2.gz BAUWPHSOTKRUKM-MRXNPFEDSA-N -1 1 408.501 3.327 50 0 HGAAMM CS(=O)(=O)c1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006908382 569178680 /nfs/dbraw/zinc/17/86/80/569178680.db2.gz LXGRLQZQTCLUSY-UHFFFAOYSA-N -1 1 412.492 3.466 50 0 HGAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1 ZINC000065115079 569179237 /nfs/dbraw/zinc/17/92/37/569179237.db2.gz MHJIODRZBLIDPM-UHFFFAOYSA-N -1 1 413.455 3.067 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)c1 ZINC000065115238 569179286 /nfs/dbraw/zinc/17/92/86/569179286.db2.gz RZBGYPOFYADCJP-UHFFFAOYSA-N -1 1 415.471 3.263 50 0 HGAAMM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccccc2F)n1 ZINC000006915683 569182265 /nfs/dbraw/zinc/18/22/65/569182265.db2.gz NWIBDYYYCZGBBQ-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1c(C)c3ccc([O-])cc3oc1=O)CC2 ZINC000524730961 569212040 /nfs/dbraw/zinc/21/20/40/569212040.db2.gz DSHVQDBXOWTIES-SFHVURJKSA-N -1 1 409.438 3.170 50 0 biogenic HGAAMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000089858178 569267147 /nfs/dbraw/zinc/26/71/47/569267147.db2.gz JLLAFYWNEHASGN-BHDDXSALSA-N -1 1 419.506 3.341 50 0 HGAAMM C[C@H](Oc1ccc(Br)cc1)C(=O)Nn1c(=O)c2ccccc2[n-]c1=S ZINC000002970289 569322686 /nfs/dbraw/zinc/32/26/86/569322686.db2.gz SOQQRLMZSUDOKV-JTQLQIEISA-N -1 1 420.288 3.359 50 0 HGAAMM COc1cc(NC(=O)CCc2c(C)c3ccc([O-])cc3oc2=O)cc(OC)c1OC ZINC000008879294 571131113 /nfs/dbraw/zinc/13/11/13/571131113.db2.gz JNCHYSKLMOZNQG-UHFFFAOYSA-N -1 1 413.426 3.404 50 0 biogenic HGAAMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)cnc2n1 ZINC000040122821 571178549 /nfs/dbraw/zinc/17/85/49/571178549.db2.gz MYJDQAGWRGTAPC-UHFFFAOYSA-N -1 1 404.470 3.200 50 0 HGAAMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc(C(=O)N3CCCCC3)cc1)c2=O ZINC000040122821 571178550 /nfs/dbraw/zinc/17/85/50/571178550.db2.gz MYJDQAGWRGTAPC-UHFFFAOYSA-N -1 1 404.470 3.200 50 0 HGAAMM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000008977160 571197887 /nfs/dbraw/zinc/19/78/87/571197887.db2.gz RUMGUGAHAHDREE-UHFFFAOYSA-N -1 1 400.431 3.418 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)cc1F ZINC000008977423 571198159 /nfs/dbraw/zinc/19/81/59/571198159.db2.gz FEYYCGGJZBDCLQ-UHFFFAOYSA-N -1 1 418.490 3.320 50 0 HGAAMM O=c1[nH]c([O-])c([C@H]2NCCc3c4ccccc4[nH]c32)c(=O)n1-c1ccc(Cl)cc1 ZINC000009012698 571210833 /nfs/dbraw/zinc/21/08/33/571210833.db2.gz XUXXIFTTYWPWFA-GOSISDBHSA-N -1 1 408.845 3.014 50 0 biogenic HGAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1 ZINC000009153190 571231387 /nfs/dbraw/zinc/23/13/87/571231387.db2.gz RDSMLFJAXVXDCR-UHFFFAOYSA-N -1 1 421.478 3.295 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1F ZINC000009169988 571233621 /nfs/dbraw/zinc/23/36/21/571233621.db2.gz NKWHHCYSFSEAMS-UHFFFAOYSA-N -1 1 408.451 3.017 50 0 HGAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Nc1ccc(Cl)cc1 ZINC000009640553 571275597 /nfs/dbraw/zinc/27/55/97/571275597.db2.gz ROAIEGMYLNMRIN-UHFFFAOYSA-N -1 1 411.874 3.469 50 0 HGAAMM NC(=O)c1ccsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009714953 571281648 /nfs/dbraw/zinc/28/16/48/571281648.db2.gz LFZZLNZRPVTENE-UHFFFAOYSA-N -1 1 419.459 3.039 50 0 HGAAMM COC(=O)c1ccc(NC(=O)c2cnc3n(-c4ccccc4)[n-]c(C)c-3c2=O)cc1 ZINC000010166774 571295662 /nfs/dbraw/zinc/29/56/62/571295662.db2.gz KWMIFXCIGDGASN-UHFFFAOYSA-N -1 1 402.410 3.061 50 0 HGAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006661014 132312694 /nfs/dbraw/zinc/31/26/94/132312694.db2.gz RRUMQUXFYYVJSI-UHFFFAOYSA-N -1 1 410.445 3.228 50 0 HGAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)cc1 ZINC000032943717 521521199 /nfs/dbraw/zinc/52/11/99/521521199.db2.gz KMPHOGGTPBFSOL-UHFFFAOYSA-N -1 1 420.512 3.123 50 0 HGAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040312433 526396483 /nfs/dbraw/zinc/39/64/83/526396483.db2.gz TYZDGXBLKTYUEW-IBGZPJMESA-N -1 1 406.398 3.016 50 0 biogenic HGAAMM C[C@@H]1CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)C[C@@H](C)O1 ZINC000000631162 557026645 /nfs/dbraw/zinc/02/66/45/557026645.db2.gz ICAYNXBZQNYZLF-ZIAGYGMSSA-N -1 1 408.907 3.390 50 0 HGAAMM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022626598 557104863 /nfs/dbraw/zinc/10/48/63/557104863.db2.gz FOKHNVQQOHCBJR-HNNXBMFYSA-N -1 1 422.457 3.011 50 0 HGAAMM Cn1c(CCN(Cc2ccco2)S(=O)(=O)c2ccc(Cl)cc2)n[n-]c1=S ZINC000001040058 557152609 /nfs/dbraw/zinc/15/26/09/557152609.db2.gz JDHZDIDMMSPFNX-UHFFFAOYSA-N -1 1 412.924 3.158 50 0 HGAAMM CCOC(=O)c1c(C)c(C(N)=O)sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002740206 557375492 /nfs/dbraw/zinc/37/54/92/557375492.db2.gz ANCBHJKEYPZCTE-UHFFFAOYSA-N -1 1 422.331 3.280 50 0 HGAAMM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])C(C(C)=O)=NN3c2ccccc2Cl)cc1 ZINC000004670725 557579312 /nfs/dbraw/zinc/57/93/12/557579312.db2.gz BXUMKEUQRSWZDZ-PKOBYXMFSA-N -1 1 411.845 3.062 50 0 HGAAMM CCc1nnc(COC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)o1 ZINC000021333246 558436102 /nfs/dbraw/zinc/43/61/02/558436102.db2.gz DVZUDGQRGVAKBA-UHFFFAOYSA-N -1 1 415.471 3.407 50 0 HGAAMM Cc1ccnc(SCc2cc(=O)c3c([O-])n(-c4nc5ccccc5s4)nc3[nH]2)n1 ZINC000013591534 558546064 /nfs/dbraw/zinc/54/60/64/558546064.db2.gz YUDMNAAQLIMKFX-UHFFFAOYSA-N -1 1 422.495 3.008 50 0 HGAAMM Cc1ccnc(SCc2cc([O-])c3c(=O)n(-c4nc5ccccc5s4)nc-3[nH]2)n1 ZINC000013591534 558546069 /nfs/dbraw/zinc/54/60/69/558546069.db2.gz YUDMNAAQLIMKFX-UHFFFAOYSA-N -1 1 422.495 3.008 50 0 HGAAMM O=C(c1cc2ccccc2o1)N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000026728761 558664651 /nfs/dbraw/zinc/66/46/51/558664651.db2.gz SGLDLTFOMRYCGR-UHFFFAOYSA-N -1 1 404.422 3.203 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(=O)[n-]1 ZINC000027379373 558672721 /nfs/dbraw/zinc/67/27/21/558672721.db2.gz QBKZOJXFXWIAIR-AWEZNQCLSA-N -1 1 412.515 3.280 50 0 HGAAMM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 ZINC000060060246 558679592 /nfs/dbraw/zinc/67/95/92/558679592.db2.gz AWXKAZFMNBHTTJ-UHFFFAOYSA-N -1 1 403.773 3.135 50 0 HGAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 ZINC000029331363 558713664 /nfs/dbraw/zinc/71/36/64/558713664.db2.gz OEBFDPLTIZZFAV-UHFFFAOYSA-N -1 1 408.487 3.151 50 0 HGAAMM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000033274872 558764691 /nfs/dbraw/zinc/76/46/91/558764691.db2.gz XHGXFRJIKRFONW-UHFFFAOYSA-N -1 1 418.515 3.062 50 0 HGAAMM COC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)cc(=O)[n-]2)cc1 ZINC000016448428 558791733 /nfs/dbraw/zinc/79/17/33/558791733.db2.gz OPFLQYHZYJOINK-UHFFFAOYSA-N -1 1 401.469 3.016 50 0 HGAAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(Br)ccc1OC)CC(=O)N2 ZINC000021784367 558949580 /nfs/dbraw/zinc/94/95/80/558949580.db2.gz IJLDQMHBDUNNLB-SNVBAGLBSA-N -1 1 410.293 3.127 50 0 HGAAMM COc1cccc(CNC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)c1 ZINC000023138443 559019744 /nfs/dbraw/zinc/01/97/44/559019744.db2.gz OQAKYXXRWOIEED-UHFFFAOYSA-N -1 1 413.474 3.481 50 0 HGAAMM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000100077708 559125276 /nfs/dbraw/zinc/12/52/76/559125276.db2.gz KAXLLGBUNXXNSL-RDJZCZTQSA-N -1 1 402.237 3.317 50 0 HGAAMM COC(=O)C[C@@H](c1ccc2ncccc2c1)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000205972492 559197741 /nfs/dbraw/zinc/19/77/41/559197741.db2.gz GWWCYOBPSRJXEE-HNNXBMFYSA-N -1 1 409.829 3.297 50 0 HGAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc[n+]([O-])c1 ZINC000005602653 560629363 /nfs/dbraw/zinc/62/93/63/560629363.db2.gz RIXVWMOJYWDDHB-UHFFFAOYSA-N -1 1 403.847 3.027 50 0 HGAAMM COc1ccc(C2=NOC3=C([O-])N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1OC ZINC000102894831 560833256 /nfs/dbraw/zinc/83/32/56/560833256.db2.gz FIZFELCGKLUBJV-NVXWUHKLSA-N -1 1 420.343 3.015 50 0 HGAAMM COc1ccc(C(=O)N(Cc2ccc(C)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101860821 560852333 /nfs/dbraw/zinc/85/23/33/560852333.db2.gz XBJAFBZJMPUVDP-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccc(Br)o2)[n-]c(=O)c1C ZINC000012127275 560889670 /nfs/dbraw/zinc/88/96/70/560889670.db2.gz SOVCYVCEUDONCB-UHFFFAOYSA-N -1 1 418.251 3.058 50 0 HGAAMM CC(C)=C1c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc2N(C)C1=O ZINC000046053917 568425615 /nfs/dbraw/zinc/42/56/15/568425615.db2.gz IZRPDOFXZRDEFM-UHFFFAOYSA-N -1 1 400.456 3.028 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000046074195 568426865 /nfs/dbraw/zinc/42/68/65/568426865.db2.gz CVUKHYVQRIYNKG-GFCCVEGCSA-N -1 1 406.895 3.380 50 0 HGAAMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095365165 568602104 /nfs/dbraw/zinc/60/21/04/568602104.db2.gz SPRYRUKTUKAZJK-UHFFFAOYSA-N -1 1 403.467 3.445 50 0 HGAAMM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000095464671 568622586 /nfs/dbraw/zinc/62/25/86/568622586.db2.gz FYXGGJKNFLFHMI-UHFFFAOYSA-N -1 1 417.384 3.171 50 0 HGAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)c1C ZINC000225529273 568647472 /nfs/dbraw/zinc/64/74/72/568647472.db2.gz ZMDXYJIUIIRSKE-UHFFFAOYSA-N -1 1 410.442 3.163 50 0 HGAAMM COc1cc(CNC2(c3nnn[n-]3)CCCC2)cc(Br)c1OC(F)F ZINC000095960133 568669926 /nfs/dbraw/zinc/66/99/26/568669926.db2.gz PMVGIMAFWHKZKE-UHFFFAOYSA-N -1 1 418.242 3.131 50 0 HGAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1ccc2c(c1)OCO2 ZINC000096114083 568693543 /nfs/dbraw/zinc/69/35/43/568693543.db2.gz BNHRFWBWCOFXTQ-INIZCTEOSA-N -1 1 410.426 3.138 50 0 biogenic HGAAMM Cn1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096114394 568693954 /nfs/dbraw/zinc/69/39/54/568693954.db2.gz PTUYUARFSYRBGV-ZDUSSCGKSA-N -1 1 404.378 3.046 50 0 biogenic HGAAMM Cn1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21 ZINC000096114394 568693956 /nfs/dbraw/zinc/69/39/56/568693956.db2.gz PTUYUARFSYRBGV-ZDUSSCGKSA-N -1 1 404.378 3.046 50 0 biogenic HGAAMM O=S(=O)([N-]c1ccc(F)c(-c2nc[nH]n2)c1)c1ccccc1OC(F)(F)F ZINC000241231124 568730882 /nfs/dbraw/zinc/73/08/82/568730882.db2.gz KSFPLSMLDNVLIY-UHFFFAOYSA-N -1 1 402.329 3.310 50 0 HGAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000012521445 568841792 /nfs/dbraw/zinc/84/17/92/568841792.db2.gz XLQZUEPAGGTNPJ-IYBDPMFKSA-N -1 1 418.515 3.136 50 0 HGAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)N1CCOCC1 ZINC000015420854 568885643 /nfs/dbraw/zinc/88/56/43/568885643.db2.gz IGDNTXBUTZAGJG-UHFFFAOYSA-N -1 1 415.298 3.267 50 0 HGAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000058115520 568887863 /nfs/dbraw/zinc/88/78/63/568887863.db2.gz RHBICCBXSQNTOZ-UHFFFAOYSA-N -1 1 422.514 3.135 50 0 HGAAMM C[C@H](C[C@H](O)c1ccco1)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000084637135 568953898 /nfs/dbraw/zinc/95/38/98/568953898.db2.gz WOGLAICMAMLOPL-BEFAXECRSA-N -1 1 414.483 3.322 50 0 HGAAMM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cc4c(s3)CCCCC4)C2=O)c1 ZINC000008156805 568978245 /nfs/dbraw/zinc/97/82/45/568978245.db2.gz UWXODRGZBUYWDG-NRFANRHFSA-N -1 1 413.499 3.138 50 0 HGAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)cc1 ZINC000015730545 568981136 /nfs/dbraw/zinc/98/11/36/568981136.db2.gz ZLXJCELWAYEYDK-NSHDSACASA-N -1 1 406.485 3.097 50 0 HGAAMM Cc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[n-]c(=O)c1CCO ZINC000011905715 568987397 /nfs/dbraw/zinc/98/73/97/568987397.db2.gz BRQGLCHRWHJFBZ-UHFFFAOYSA-N -1 1 411.483 3.136 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(S[C@H]4CCOC4=O)nc3c2)cc1 ZINC000006132640 569014123 /nfs/dbraw/zinc/01/41/23/569014123.db2.gz NOWOOBYETVYTST-INIZCTEOSA-N -1 1 420.468 3.045 50 0 HGAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(C)=O)nc3c2)cc1 ZINC000015870124 569017153 /nfs/dbraw/zinc/01/71/53/569017153.db2.gz WUUXQJCCRQNINR-UHFFFAOYSA-N -1 1 418.500 3.404 50 0 HGAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000015882169 569019003 /nfs/dbraw/zinc/01/90/03/569019003.db2.gz INTLQUGWBIRZTQ-UHFFFAOYSA-N -1 1 424.526 3.343 50 0 HGAAMM CCCc1cc(=O)[n-]c(SCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)n1 ZINC000016049248 569028493 /nfs/dbraw/zinc/02/84/93/569028493.db2.gz FGSSVTMOTXCIJY-UHFFFAOYSA-N -1 1 418.475 3.091 50 0 HGAAMM COC(=O)c1ccc(C(=O)OC)c([N-]C(=O)c2cc(OCc3ccccc3)no2)c1 ZINC000090610025 569042535 /nfs/dbraw/zinc/04/25/35/569042535.db2.gz JEFRVOIMRHJKCK-UHFFFAOYSA-N -1 1 410.382 3.079 50 0 HGAAMM CC(=O)Nc1ccc(SCC(=O)[N-]C(=O)c2ccccc2Br)cc1 ZINC000006560160 569065717 /nfs/dbraw/zinc/06/57/17/569065717.db2.gz UVIFUMPUXYBFBQ-UHFFFAOYSA-N -1 1 407.289 3.456 50 0 HGAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)cc(OC)c1 ZINC000065020799 569154094 /nfs/dbraw/zinc/15/40/94/569154094.db2.gz RDXFPQYZMONMJX-UHFFFAOYSA-N -1 1 404.488 3.149 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)cc1 ZINC000006867760 569159189 /nfs/dbraw/zinc/15/91/89/569159189.db2.gz GVIITDRUDBHQIH-LBPRGKRZSA-N -1 1 404.513 3.269 50 0 HGAAMM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3c(F)cccc3Cl)C2=O)ccc1F ZINC000065229344 569200446 /nfs/dbraw/zinc/20/04/46/569200446.db2.gz UXNWQVRXEUCILW-KRWDZBQOSA-N -1 1 414.861 3.152 50 0 HGAAMM CC[C@@H](C)[C@@H](CO)NC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000036569686 569200846 /nfs/dbraw/zinc/20/08/46/569200846.db2.gz LVUCAFLVXMAPCB-RHSMWYFYSA-N -1 1 411.454 3.068 50 0 HGAAMM CC[C@@H](C)[C@@H](CO)NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000036569686 569200847 /nfs/dbraw/zinc/20/08/47/569200847.db2.gz LVUCAFLVXMAPCB-RHSMWYFYSA-N -1 1 411.454 3.068 50 0 HGAAMM COc1ccc(NC(=O)c2cnc3n(-c4ccccc4)[n-]c(C)c-3c2=O)c(OC)c1 ZINC000007424068 569238031 /nfs/dbraw/zinc/23/80/31/569238031.db2.gz YCDMQMLSPRXCOD-UHFFFAOYSA-N -1 1 404.426 3.292 50 0 HGAAMM Cc1ncc(CO)c(C=NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1O ZINC000254311236 569254325 /nfs/dbraw/zinc/25/43/25/569254325.db2.gz XMXUANXEWGDGKV-UHFFFAOYSA-N -1 1 405.625 3.087 50 0 HGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000016981070 569270290 /nfs/dbraw/zinc/27/02/90/569270290.db2.gz CWKZJDHWWASQTP-UHFFFAOYSA-N -1 1 413.909 3.092 50 0 HGAAMM CSc1nc(C)c(CCC(=O)N2C[C@H](c3ccccc3C)OC[C@H]2C)c(=O)[n-]1 ZINC000170640514 569282951 /nfs/dbraw/zinc/28/29/51/569282951.db2.gz PTZPGHOEEHOTRF-RDTXWAMCSA-N -1 1 401.532 3.030 50 0 HGAAMM COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000008720241 571106782 /nfs/dbraw/zinc/10/67/82/571106782.db2.gz KNYDMXZPNGOHAL-UHFFFAOYSA-N -1 1 417.314 3.099 50 0 HGAAMM COc1cc(NC(=O)Cc2c(C)c3c([O-])cc(C)cc3oc2=O)cc(OC)c1OC ZINC000009134267 571229324 /nfs/dbraw/zinc/22/93/24/571229324.db2.gz KVQKQWNXCZCSPX-UHFFFAOYSA-N -1 1 413.426 3.322 50 0 HGAAMM O=C(NCc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccn1 ZINC000009152020 571230683 /nfs/dbraw/zinc/23/06/83/571230683.db2.gz BBCNPSYTMRRZPC-UHFFFAOYSA-N -1 1 403.410 3.091 50 0 HGAAMM C[C@@H]1CN(C(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)C[C@@H](C)O1 ZINC000009486276 571262349 /nfs/dbraw/zinc/26/23/49/571262349.db2.gz GHCWLGOHHUXUIO-HUUCEWRRSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM C[C@@H]1CN(C(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)C[C@@H](C)O1 ZINC000009486276 571262351 /nfs/dbraw/zinc/26/23/51/571262351.db2.gz GHCWLGOHHUXUIO-HUUCEWRRSA-N -1 1 409.438 3.180 50 0 biogenic HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1Cl ZINC000009560703 571268394 /nfs/dbraw/zinc/26/83/94/571268394.db2.gz MICKRPJQJZKHSC-UHFFFAOYSA-N -1 1 419.846 3.143 50 0 HGAAMM CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2)nn1 ZINC000009572683 571269202 /nfs/dbraw/zinc/26/92/02/571269202.db2.gz OFEQUTYTKWMUTG-UHFFFAOYSA-N -1 1 423.903 3.001 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCO)Cc3ccccc3)c2)cc1 ZINC000009588813 571271612 /nfs/dbraw/zinc/27/16/12/571271612.db2.gz HDEPIOSVJPUUBB-UHFFFAOYSA-N -1 1 424.522 3.431 50 0 HGAAMM COc1ccccc1OCCSc1nc(-c2cccc(F)c2)nc2cc(=O)[n-]n21 ZINC000009640999 571275797 /nfs/dbraw/zinc/27/57/97/571275797.db2.gz XAJWYALZKFLLFG-UHFFFAOYSA-N -1 1 412.446 3.403 50 0 HGAAMM CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000009641542 571275946 /nfs/dbraw/zinc/27/59/46/571275946.db2.gz WAWIEPTZAZQXPX-UHFFFAOYSA-N -1 1 419.466 3.018 50 0 HGAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-]Cc4ccccc4)o3)nnc2c2ccccc12 ZINC000009942711 571291188 /nfs/dbraw/zinc/29/11/88/571291188.db2.gz GWJZNDLREXJYJR-UHFFFAOYSA-N -1 1 419.466 3.324 50 0 HGAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)c(C)c1C ZINC000010518371 571304127 /nfs/dbraw/zinc/30/41/27/571304127.db2.gz JWTPLHCZZKEONV-UHFFFAOYSA-N -1 1 422.572 3.470 50 0 HGAAMM COc1cccc(N2CCN(c3nc(C)c(Cc4ccc(C)cc4)c(=O)[n-]3)CC2)c1 ZINC000009096434 132335778 /nfs/dbraw/zinc/33/57/78/132335778.db2.gz BVCFRRHOKBDISM-UHFFFAOYSA-N -1 1 404.514 3.313 50 0 HGAAMM CC(C)C(=O)N1CCN(c2c(Cl)cccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000009341737 132338970 /nfs/dbraw/zinc/33/89/70/132338970.db2.gz OBRNIDIUKOJVJQ-UHFFFAOYSA-N -1 1 421.950 3.445 50 0 HGAAMM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000032833594 519704057 /nfs/dbraw/zinc/70/40/57/519704057.db2.gz PECQXWRBTGEXIN-UHFFFAOYSA-N -1 1 406.414 3.218 50 0 HGAAMM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000032940864 520340049 /nfs/dbraw/zinc/34/00/49/520340049.db2.gz QMZPRVMZUDRNPR-UHFFFAOYSA-N -1 1 406.382 3.248 50 0 HGAAMM CNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000027398879 521918552 /nfs/dbraw/zinc/91/85/52/521918552.db2.gz YBEXDLBZBTXSSN-UHFFFAOYSA-N -1 1 409.467 3.099 50 0 HGAAMM Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)CC2=O)cc1 ZINC000032898896 524984519 /nfs/dbraw/zinc/98/45/19/524984519.db2.gz MVBQLBAUGJRIFQ-LJQANCHMSA-N -1 1 406.482 3.175 50 0 HGAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000000631027 557026442 /nfs/dbraw/zinc/02/64/42/557026442.db2.gz MFOLNEKYHQMKCL-IRXDYDNUSA-N -1 1 402.516 3.354 50 0 HGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1OC ZINC000000876868 557108503 /nfs/dbraw/zinc/10/85/03/557108503.db2.gz HWOLKTOIZQDVQX-KZIRDTCISA-N -1 1 424.453 3.297 50 0 HGAAMM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000986419 557132508 /nfs/dbraw/zinc/13/25/08/557132508.db2.gz SWYUTQLARGBMCC-UHFFFAOYSA-N -1 1 414.524 3.437 50 0 HGAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc2nsnc2c1 ZINC000001194634 557237419 /nfs/dbraw/zinc/23/74/19/557237419.db2.gz ZCVOHOMOHXZMIN-UHFFFAOYSA-N -1 1 417.253 3.097 50 0 HGAAMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1 ZINC000012631125 558441896 /nfs/dbraw/zinc/44/18/96/558441896.db2.gz PFBBYMKAXWSPSL-UHFFFAOYSA-N -1 1 416.528 3.057 50 0 HGAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000012706203 558449987 /nfs/dbraw/zinc/44/99/87/558449987.db2.gz QMKUWGUGYOQLNT-KZIRDTCISA-N -1 1 424.453 3.297 50 0 HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000014225880 558638574 /nfs/dbraw/zinc/63/85/74/558638574.db2.gz OOALRGKJSYBXBO-UHFFFAOYSA-N -1 1 401.488 3.072 50 0 HGAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000025378631 558639353 /nfs/dbraw/zinc/63/93/53/558639353.db2.gz DEODQPKPXHASGE-HNNXBMFYSA-N -1 1 408.907 3.358 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)cc1OC ZINC000033274515 558764096 /nfs/dbraw/zinc/76/40/96/558764096.db2.gz LPTYGSMDVYQETP-UHFFFAOYSA-N -1 1 418.515 3.061 50 0 HGAAMM Cc1sc2[n-]c(=S)n(NC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)c(=O)c2c1C ZINC000017091832 558820344 /nfs/dbraw/zinc/82/03/44/558820344.db2.gz KBNCHKRPYYSVPC-SECBINFHSA-N -1 1 419.484 3.004 50 0 HGAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2oc1=O ZINC000033048771 558885851 /nfs/dbraw/zinc/88/58/51/558885851.db2.gz LRVZZHVPYGICIV-UHFFFAOYSA-N -1 1 403.460 3.154 50 0 HGAAMM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000097940852 558946805 /nfs/dbraw/zinc/94/68/05/558946805.db2.gz AHWCEUCTZQVOAP-UHFFFAOYSA-N -1 1 418.450 3.154 50 0 HGAAMM Nc1c2nc(-c3cccc(Oc4ccccc4)c3)[n-]c(=O)c2nc(=O)n1-c1ccccc1 ZINC000100945625 559142132 /nfs/dbraw/zinc/14/21/32/559142132.db2.gz NQGYTBIXTZXOQL-UHFFFAOYSA-N -1 1 423.432 3.341 50 0 HGAAMM CNC(=S)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000004865377 559193732 /nfs/dbraw/zinc/19/37/32/559193732.db2.gz FQHZFAUENMMWQY-UHFFFAOYSA-N -1 1 420.560 3.012 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1Cl ZINC000005154171 559253480 /nfs/dbraw/zinc/25/34/80/559253480.db2.gz FZJJHZCVNXTGKU-UHFFFAOYSA-N -1 1 406.891 3.375 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000011748787 559256835 /nfs/dbraw/zinc/25/68/35/559256835.db2.gz KRCJTJFLRWDCQG-SFHVURJKSA-N -1 1 406.529 3.078 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000017327276 560709164 /nfs/dbraw/zinc/70/91/64/560709164.db2.gz YRZTXIOXGFSRJX-IYBDPMFKSA-N -1 1 418.515 3.136 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000017328159 560709256 /nfs/dbraw/zinc/70/92/56/560709256.db2.gz BSOSSLPKCOYKKN-IRXDYDNUSA-N -1 1 402.516 3.354 50 0 HGAAMM CC(=O)N(Cc1ccc(F)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101416538 560794672 /nfs/dbraw/zinc/79/46/72/560794672.db2.gz HAPTZGOIKLWAQT-UHFFFAOYSA-N -1 1 405.433 3.009 50 0 HGAAMM O=C(NCc1ccccn1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828710 560802756 /nfs/dbraw/zinc/80/27/56/560802756.db2.gz RUSKGEQLDONXIS-UHFFFAOYSA-N -1 1 413.412 3.283 50 0 HGAAMM COc1ccccc1CN(C(=O)c1cccc(C)c1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101860953 560804122 /nfs/dbraw/zinc/80/41/22/560804122.db2.gz SYFGFXRIEIBPPL-UHFFFAOYSA-N -1 1 417.469 3.198 50 0 HGAAMM O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1F ZINC000051316703 560856578 /nfs/dbraw/zinc/85/65/78/560856578.db2.gz LGDKJZNKBVFQOG-UHFFFAOYSA-N -1 1 413.409 3.118 50 0 HGAAMM CCCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2sc1=O ZINC000046017496 568423769 /nfs/dbraw/zinc/42/37/69/568423769.db2.gz HNGWJZWUTIHNMF-UHFFFAOYSA-N -1 1 408.501 3.291 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074108 568426807 /nfs/dbraw/zinc/42/68/07/568426807.db2.gz AMKNBYIERCBKCN-SNVBAGLBSA-N -1 1 406.895 3.298 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046074235 568426838 /nfs/dbraw/zinc/42/68/38/568426838.db2.gz OWBMQNWEXNSNAQ-AWEZNQCLSA-N -1 1 400.504 3.289 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cc(F)ccc1F)CC(=O)N2 ZINC000046075778 568426985 /nfs/dbraw/zinc/42/69/85/568426985.db2.gz GOQSIYPUSPFKNN-JTQLQIEISA-N -1 1 408.430 3.005 50 0 HGAAMM Cc1ccccc1-c1csc2c1[n-]c(N1CCC[C@H](C(=O)NC3CC3)C1)nc2=O ZINC000049421417 568450505 /nfs/dbraw/zinc/45/05/05/568450505.db2.gz IJBGQVLBDUGRMT-AWEZNQCLSA-N -1 1 408.527 3.455 50 0 HGAAMM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C1 ZINC000096096312 568688880 /nfs/dbraw/zinc/68/88/80/568688880.db2.gz UKSHMMXMNDHQLX-UHFFFAOYSA-N -1 1 410.879 3.274 50 0 HGAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000000937641 568751654 /nfs/dbraw/zinc/75/16/54/568751654.db2.gz IXAOIFWDVFPLNJ-UHFFFAOYSA-N -1 1 408.545 3.279 50 0 HGAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1O ZINC000086056952 568753748 /nfs/dbraw/zinc/75/37/48/568753748.db2.gz FIBITIDXEWAWKD-CQSZACIVSA-N -1 1 409.467 3.251 50 0 HGAAMM O=S(=O)([N-]C1CCN(Cc2ccc(F)c(F)c2)CC1)c1cc(F)ccc1F ZINC000055649746 568781358 /nfs/dbraw/zinc/78/13/58/568781358.db2.gz LMLPPRZQUUFURX-UHFFFAOYSA-N -1 1 402.413 3.186 50 0 HGAAMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cccc(SC)c2)c1OC ZINC000006008443 568835085 /nfs/dbraw/zinc/83/50/85/568835085.db2.gz YBKGAJRUMXRWMP-FPLPWBNLSA-N -1 1 409.485 3.324 50 0 HGAAMM CN(Cc1nccn1C(F)F)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012535852 568845621 /nfs/dbraw/zinc/84/56/21/568845621.db2.gz DPYVTBSHWGBOQZ-UHFFFAOYSA-N -1 1 420.441 3.351 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)NC3CCCC3)cc2)cc1 ZINC000003393733 568895078 /nfs/dbraw/zinc/89/50/78/568895078.db2.gz LCPMEDQEQZHOLT-UHFFFAOYSA-N -1 1 416.499 3.011 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000003564341 568916101 /nfs/dbraw/zinc/91/61/01/568916101.db2.gz SAYAAGLVDQOLRI-UHFFFAOYSA-N -1 1 420.915 3.310 50 0 HGAAMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000003564384 568916256 /nfs/dbraw/zinc/91/62/56/568916256.db2.gz KVYWMHDYRSASEE-UHFFFAOYSA-N -1 1 408.545 3.007 50 0 HGAAMM COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000083915578 568925268 /nfs/dbraw/zinc/92/52/68/568925268.db2.gz RTDXMUMPMWZZCG-UHFFFAOYSA-N -1 1 421.656 3.005 50 0 HGAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)C1 ZINC000031818454 568932598 /nfs/dbraw/zinc/93/25/98/568932598.db2.gz JTIIMYXIPJVYIM-MTJIALIYSA-N -1 1 401.463 3.075 50 0 HGAAMM O=C(COc1ccc(N2CCCC2=O)cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000084387550 568948569 /nfs/dbraw/zinc/94/85/69/568948569.db2.gz CAVIZHGPTPBQMK-UHFFFAOYSA-N -1 1 422.481 3.019 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)cc1OC ZINC000015730282 568980996 /nfs/dbraw/zinc/98/09/96/568980996.db2.gz KJLHXLOYYOVYKQ-LLVKDONJSA-N -1 1 408.501 3.327 50 0 HGAAMM O=C(CSc1nc(-c2ccc(F)cc2)nc2cc(=O)[n-]n21)Nc1ccccc1F ZINC000015732566 568982448 /nfs/dbraw/zinc/98/24/48/568982448.db2.gz JKAJNFMEYDUSKH-UHFFFAOYSA-N -1 1 413.409 3.094 50 0 HGAAMM COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000015732597 568982816 /nfs/dbraw/zinc/98/28/16/568982816.db2.gz SEPKVVXRKJXXOD-UHFFFAOYSA-N -1 1 421.482 3.132 50 0 HGAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cnn(C)c3)CC(=O)O4)c2=O)cc1 ZINC000085876877 569009701 /nfs/dbraw/zinc/00/97/01/569009701.db2.gz RUHBQTLPTOFIMF-HNNXBMFYSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cnn(C)c2)cc1 ZINC000085876877 569009702 /nfs/dbraw/zinc/00/97/02/569009702.db2.gz RUHBQTLPTOFIMF-HNNXBMFYSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM Cc1cc(Oc2cccnc2)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 ZINC000253537683 569051757 /nfs/dbraw/zinc/05/17/57/569051757.db2.gz IGPHHCPESVRBIV-UHFFFAOYSA-N -1 1 424.438 3.338 50 0 HGAAMM COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000089420391 569060118 /nfs/dbraw/zinc/06/01/18/569060118.db2.gz PWTJLMKBMNKRDW-UHFFFAOYSA-N -1 1 418.240 3.234 50 0 HGAAMM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)cc1 ZINC000064843849 569107682 /nfs/dbraw/zinc/10/76/82/569107682.db2.gz PCXISJKUYBPSDM-AWEZNQCLSA-N -1 1 419.503 3.216 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1 ZINC000007056869 569214530 /nfs/dbraw/zinc/21/45/30/569214530.db2.gz PYKPYBNQAMDRGX-UHFFFAOYSA-N -1 1 412.508 3.110 50 0 HGAAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1C ZINC000007505448 569243496 /nfs/dbraw/zinc/24/34/96/569243496.db2.gz RSHNOAOTYIZWHS-UHFFFAOYSA-N -1 1 410.561 3.280 50 0 HGAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000016980824 569270264 /nfs/dbraw/zinc/27/02/64/569270264.db2.gz LEIDUDFRUXVAAF-UHFFFAOYSA-N -1 1 401.417 3.039 50 0 HGAAMM O=[S@@](c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(F)(F)F ZINC000079001704 569423509 /nfs/dbraw/zinc/42/35/09/569423509.db2.gz HVGOKKARECYKQK-AREMUKBSSA-N -1 1 421.418 3.276 50 0 HGAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCCO2 ZINC000067298544 571072634 /nfs/dbraw/zinc/07/26/34/571072634.db2.gz YZRWBFFETVBCNT-NPPSCJOGSA-N -1 1 422.437 3.051 50 0 HGAAMM O=C(NC[C@H]1CCCO1)c1cc2ccc([O-])cc2o/c1=N\c1ccc2c(c1)OCO2 ZINC000067298539 571072640 /nfs/dbraw/zinc/07/26/40/571072640.db2.gz NMOJXMLYQZATBI-RNKPHZFSSA-N -1 1 408.410 3.008 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCn3cccn3)c2)cc1Cl ZINC000040135043 571188117 /nfs/dbraw/zinc/18/81/17/571188117.db2.gz UPEMIKWHCNXERP-UHFFFAOYSA-N -1 1 407.879 3.425 50 0 HGAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2ccc(F)cc2)c1=O ZINC000009013453 571211012 /nfs/dbraw/zinc/21/10/12/571211012.db2.gz RBUQPRQQJVEJKH-HXUWFJFHSA-N -1 1 420.444 3.232 50 0 biogenic HGAAMM Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2 ZINC000040267267 571214232 /nfs/dbraw/zinc/21/42/32/571214232.db2.gz LVDJAKWNGRNJHH-LBPRGKRZSA-N -1 1 409.837 3.409 50 0 HGAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1ccncc1 ZINC000009061077 571217669 /nfs/dbraw/zinc/21/76/69/571217669.db2.gz KCITVCMXBFVVAU-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccncc1 ZINC000009061077 571217671 /nfs/dbraw/zinc/21/76/71/571217671.db2.gz KCITVCMXBFVVAU-UHFFFAOYSA-N -1 1 402.406 3.256 50 0 biogenic HGAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009169011 571233473 /nfs/dbraw/zinc/23/34/73/571233473.db2.gz FFDBLFUSPQCPDC-UHFFFAOYSA-N -1 1 417.487 3.111 50 0 HGAAMM O=C1[N-]C(=O)[C@]2(Cc3c(Cl)cccc3N3CCC[C@@H]32)C(=O)N1CCc1ccccc1 ZINC000009433969 571258625 /nfs/dbraw/zinc/25/86/25/571258625.db2.gz PFQSRJCZJHOWCJ-AUSIDOKSSA-N -1 1 423.900 3.172 50 0 HGAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccccc3OC)n2)cc1 ZINC000009641248 571275817 /nfs/dbraw/zinc/27/58/17/571275817.db2.gz KXXGXELUXPTDAZ-UHFFFAOYSA-N -1 1 424.482 3.273 50 0 HGAAMM COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc(N)cc(=O)[n-]1)oc1ccccc12 ZINC000009730418 571282871 /nfs/dbraw/zinc/28/28/71/571282871.db2.gz LZDAJNSHBLWMSB-SNVBAGLBSA-N -1 1 410.455 3.379 50 0 HGAAMM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl ZINC000010251181 571298057 /nfs/dbraw/zinc/29/80/57/571298057.db2.gz FQXDIJQXPWJTKB-UHFFFAOYSA-N -1 1 400.225 3.273 50 0 HGAAMM COCc1ccc(CN(C)Cc2nc(-c3ccccc3[N-]S(C)(=O)=O)oc2C)o1 ZINC000055037005 571315279 /nfs/dbraw/zinc/31/52/79/571315279.db2.gz QQQVYRKULUXIFK-UHFFFAOYSA-N -1 1 419.503 3.393 50 0 HGAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC2CC2)C(=O)[C@@H](C)O3)cc1F ZINC000035887023 571317072 /nfs/dbraw/zinc/31/70/72/571317072.db2.gz DZNMVMOIWWGYEJ-CQSZACIVSA-N -1 1 418.490 3.454 50 0 HGAAMM CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000005136868 132302995 /nfs/dbraw/zinc/30/29/95/132302995.db2.gz BDZGESBWXBCWRN-UHFFFAOYSA-N -1 1 420.556 3.078 50 0 HGAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1OC ZINC000012557067 132363720 /nfs/dbraw/zinc/36/37/20/132363720.db2.gz PHTSKYYXRGLFBO-UHFFFAOYSA-N -1 1 404.488 3.194 50 0 HGAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000012592643 132364769 /nfs/dbraw/zinc/36/47/69/132364769.db2.gz CBONDGVMHYJQMJ-UHFFFAOYSA-N -1 1 411.506 3.404 50 0 HGAAMM Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)CC2=O)cc1F ZINC000032903347 524983568 /nfs/dbraw/zinc/98/35/68/524983568.db2.gz GRTLMWKTOYNDBF-GOSISDBHSA-N -1 1 424.472 3.314 50 0 HGAAMM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2cccc(F)c2)n1 ZINC000021911230 525013825 /nfs/dbraw/zinc/01/38/25/525013825.db2.gz APCWSHUOKCMBHY-UHFFFAOYSA-N -1 1 409.446 3.263 50 0 HGAAMM O=C([O-])c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000040312435 526396884 /nfs/dbraw/zinc/39/68/84/526396884.db2.gz TYZDGXBLKTYUEW-LJQANCHMSA-N -1 1 406.398 3.016 50 0 biogenic HGAAMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000032915900 526434991 /nfs/dbraw/zinc/43/49/91/526434991.db2.gz ZJUHNMKUUMFQJL-UHFFFAOYSA-N -1 1 417.800 3.444 50 0 HGAAMM Nc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1Cl ZINC000003886111 557502882 /nfs/dbraw/zinc/50/28/82/557502882.db2.gz POOLQRHUSZNDDK-UHFFFAOYSA-N -1 1 408.648 3.328 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000004292301 557536844 /nfs/dbraw/zinc/53/68/44/557536844.db2.gz NNESCKDEKDJKBN-HNNXBMFYSA-N -1 1 400.504 3.450 50 0 HGAAMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2n(CC)c1=O ZINC000020215011 558348123 /nfs/dbraw/zinc/34/81/23/558348123.db2.gz LHJGZHYVVIIDHJ-UHFFFAOYSA-N -1 1 409.895 3.306 50 0 HGAAMM Cn1c2cc(S(=O)(=O)[N-]c3cccc(C(=O)c4ccccc4)c3)ccc2oc1=O ZINC000012428027 558403749 /nfs/dbraw/zinc/40/37/49/558403749.db2.gz DRXFEPNMLQSWEB-UHFFFAOYSA-N -1 1 408.435 3.163 50 0 HGAAMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000013675877 558564468 /nfs/dbraw/zinc/56/44/68/558564468.db2.gz YSBCYVJAGSVXSW-UHFFFAOYSA-N -1 1 404.488 3.131 50 0 HGAAMM O=C(c1ccccc1Cl)N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000014200840 558636649 /nfs/dbraw/zinc/63/66/49/558636649.db2.gz CJXVYERGXFEKSG-UHFFFAOYSA-N -1 1 423.694 3.406 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2N2CCCCC2)cc1 ZINC000015309084 558731597 /nfs/dbraw/zinc/73/15/97/558731597.db2.gz SQBGJYOWHLQKBC-UHFFFAOYSA-N -1 1 403.504 3.445 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1OC ZINC000013696474 558856145 /nfs/dbraw/zinc/85/61/45/558856145.db2.gz HAALUVZJYMLQHQ-UHFFFAOYSA-N -1 1 418.515 3.440 50 0 HGAAMM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263892 558966059 /nfs/dbraw/zinc/96/60/59/558966059.db2.gz VZDHGZJZLDRCCJ-UHFFFAOYSA-N -1 1 416.333 3.161 50 0 HGAAMM COc1cccc(CSc2nc(CC(=O)Nc3nc(C)cs3)cc(=O)[n-]2)c1 ZINC000023138134 559018495 /nfs/dbraw/zinc/01/84/95/559018495.db2.gz FHMYVPIWXGLXFW-UHFFFAOYSA-N -1 1 402.501 3.429 50 0 HGAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000033298972 559048334 /nfs/dbraw/zinc/04/83/34/559048334.db2.gz WONAIFGMFNFFML-UHFFFAOYSA-N -1 1 420.896 3.293 50 0 HGAAMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000005155053 559254503 /nfs/dbraw/zinc/25/45/03/559254503.db2.gz XLLZDVGRFQXLNK-UHFFFAOYSA-N -1 1 411.449 3.362 50 0 HGAAMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000005482707 560596211 /nfs/dbraw/zinc/59/62/11/560596211.db2.gz LBIDJEQQXPRFCB-UHFFFAOYSA-N -1 1 403.773 3.135 50 0 HGAAMM CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000007053721 560749467 /nfs/dbraw/zinc/74/94/67/560749467.db2.gz ZZBTYTFOWUXGBL-UHFFFAOYSA-N -1 1 400.250 3.347 50 0 HGAAMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024373271 560759424 /nfs/dbraw/zinc/75/94/24/560759424.db2.gz CJNBIZAHGQVYHZ-UHFFFAOYSA-N -1 1 409.407 3.098 50 0 HGAAMM Cc1ccc(-n2c(O)c3[n-][nH]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)cc1 ZINC000101363390 560792730 /nfs/dbraw/zinc/79/27/30/560792730.db2.gz UPGCEOUJBIHTMY-GMAHTHKFSA-N -1 1 423.472 3.213 50 0 HGAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCc3ccccn3)cc2)c1 ZINC000006507405 560876232 /nfs/dbraw/zinc/87/62/32/560876232.db2.gz KVARMXDVVBCDFC-UHFFFAOYSA-N -1 1 409.511 3.472 50 0 HGAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000012127115 560889729 /nfs/dbraw/zinc/88/97/29/560889729.db2.gz SUCGUQUTTMMRBR-UHFFFAOYSA-N -1 1 413.865 3.121 50 0 HGAAMM O=C(Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[n-]1)CCC2)c1cc2ccccc2o1 ZINC000012129856 560889880 /nfs/dbraw/zinc/88/98/80/560889880.db2.gz WJCBQGJDYFOCCK-UHFFFAOYSA-N -1 1 401.426 3.320 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(F)cc1F)CC(=O)N2 ZINC000046074277 568426832 /nfs/dbraw/zinc/42/68/32/568426832.db2.gz XFIFDSMLOXHTHQ-JTQLQIEISA-N -1 1 408.430 3.005 50 0 HGAAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2 ZINC000046074110 568426871 /nfs/dbraw/zinc/42/68/71/568426871.db2.gz YEUAKURCCREMFJ-NSHDSACASA-N -1 1 406.895 3.298 50 0 HGAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046074232 568426874 /nfs/dbraw/zinc/42/68/74/568426874.db2.gz ZKYXBFBKNCGAOX-CYBMUJFWSA-N -1 1 400.504 3.289 50 0 HGAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074542 568426942 /nfs/dbraw/zinc/42/69/42/568426942.db2.gz IPKMXAQREUOWED-INIZCTEOSA-N -1 1 420.494 3.435 50 0 HGAAMM CCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421046 568450391 /nfs/dbraw/zinc/45/03/91/568450391.db2.gz IFPFRGQYMKHVFY-UHFFFAOYSA-N -1 1 400.479 3.143 50 0 HGAAMM CC(C)c1ccc(OCc2n[n-]c(=S)n2NC(=O)c2ccc3n[nH]nc3c2)cc1 ZINC000008389554 568499951 /nfs/dbraw/zinc/49/99/51/568499951.db2.gz PTLMGTSYZWFONJ-UHFFFAOYSA-N -1 1 409.475 3.298 50 0 HGAAMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)cc1C ZINC000095430563 568608871 /nfs/dbraw/zinc/60/88/71/568608871.db2.gz SUPWQKXAEZOERJ-UHFFFAOYSA-N -1 1 415.471 3.274 50 0 HGAAMM O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cc(Cl)c(Cl)cc1Cl ZINC000021133186 568670370 /nfs/dbraw/zinc/67/03/70/568670370.db2.gz KGIHXZQYNFNHMM-GFCCVEGCSA-N -1 1 422.721 3.306 50 0 HGAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc(OC)c(O)c(OC)c1 ZINC000096114285 568693882 /nfs/dbraw/zinc/69/38/82/568693882.db2.gz GWWVCJSJVWLJIB-OAHLLOKOSA-N -1 1 412.442 3.124 50 0 biogenic HGAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1cc2c(c(OC)c1)OCO2 ZINC000096114788 568694247 /nfs/dbraw/zinc/69/42/47/568694247.db2.gz KYZKJTKGVMTQOB-HNNXBMFYSA-N -1 1 410.426 3.138 50 0 biogenic HGAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCO2)c1ccc(O)c(OC)c1 ZINC000096222543 568705738 /nfs/dbraw/zinc/70/57/38/568705738.db2.gz BYEPZXWEQAHUCF-MRXNPFEDSA-N -1 1 424.453 3.050 50 0 biogenic HGAAMM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1 ZINC000012541774 568848747 /nfs/dbraw/zinc/84/87/47/568848747.db2.gz BVCCPUMPSFRDHS-HNNXBMFYSA-N -1 1 413.474 3.441 50 0 HGAAMM COc1ccc(OCCC(=O)OCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003448732 568859815 /nfs/dbraw/zinc/85/98/15/568859815.db2.gz ZSCQVUZRZAVLRL-UHFFFAOYSA-N -1 1 413.470 3.261 50 0 HGAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCOCC1 ZINC000003620993 568920667 /nfs/dbraw/zinc/92/06/67/568920667.db2.gz ONXLIPMHKVHDDK-UHFFFAOYSA-N -1 1 415.298 3.267 50 0 HGAAMM O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[n-]1)Nc1cccc2ccccc21 ZINC000001436580 568955993 /nfs/dbraw/zinc/95/59/93/568955993.db2.gz HLKDWDVGDZMBFW-UHFFFAOYSA-N -1 1 403.463 3.308 50 0 HGAAMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)o1 ZINC000084718155 568957068 /nfs/dbraw/zinc/95/70/68/568957068.db2.gz CXZROTAEMSFEDM-SECBINFHSA-N -1 1 403.287 3.254 50 0 HGAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1S(N)(=O)=O ZINC000008111138 568974041 /nfs/dbraw/zinc/97/40/41/568974041.db2.gz FHBZLZLOXLOSOK-UHFFFAOYSA-N -1 1 408.545 3.491 50 0 HGAAMM CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000008195475 568982358 /nfs/dbraw/zinc/98/23/58/568982358.db2.gz CREHIPSSOUKQOF-UHFFFAOYSA-N -1 1 414.439 3.081 50 0 HGAAMM COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(N)cc(=O)[n-]2)cc1 ZINC000012812773 568986754 /nfs/dbraw/zinc/98/67/54/568986754.db2.gz UEVWSPCDMDQECY-UHFFFAOYSA-N -1 1 402.501 3.160 50 0 HGAAMM COc1cc(OC)c(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1Cl ZINC000011905573 568987080 /nfs/dbraw/zinc/98/70/80/568987080.db2.gz SYTNGYIVRXIBSP-UHFFFAOYSA-N -1 1 409.895 3.050 50 0 HGAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc21 ZINC000015781492 569002515 /nfs/dbraw/zinc/00/25/15/569002515.db2.gz RFBOGUFDNCFBOR-UHFFFAOYSA-N -1 1 408.545 3.207 50 0 HGAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc21 ZINC000015781371 569002531 /nfs/dbraw/zinc/00/25/31/569002531.db2.gz FYHSMPOWCKDANG-UHFFFAOYSA-N -1 1 412.508 3.119 50 0 HGAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccnn3C)CC(=O)O4)c2=O)cc1 ZINC000085879921 569009830 /nfs/dbraw/zinc/00/98/30/569009830.db2.gz MZACNMXOLUFJDC-CQSZACIVSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccnn2C)cc1 ZINC000085879921 569009831 /nfs/dbraw/zinc/00/98/31/569009831.db2.gz MZACNMXOLUFJDC-CQSZACIVSA-N -1 1 418.405 3.349 50 0 biogenic HGAAMM COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000012875752 569013554 /nfs/dbraw/zinc/01/35/54/569013554.db2.gz PKKUGXDNSSUWGF-UHFFFAOYSA-N -1 1 418.240 3.404 50 0 HGAAMM CCCCOC(=O)n1c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2oc1=O ZINC000001829659 569056330 /nfs/dbraw/zinc/05/63/30/569056330.db2.gz GZQDJHPQDOLZDF-UHFFFAOYSA-N -1 1 404.444 3.489 50 0 HGAAMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1C ZINC000006544899 569065000 /nfs/dbraw/zinc/06/50/00/569065000.db2.gz AZJUOCJRPYNIFB-UHFFFAOYSA-N -1 1 409.316 3.011 50 0 HGAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CC2)cc1OC ZINC000006866294 569159129 /nfs/dbraw/zinc/15/91/29/569159129.db2.gz QVKBIDOWMNJEKE-ZDUSSCGKSA-N -1 1 416.499 3.192 50 0 HGAAMM COc1ccc2oc(-c3noc(C[N-]S(=O)(=O)c4ccc(F)cc4)n3)c(C)c2c1 ZINC000065097234 569176545 /nfs/dbraw/zinc/17/65/45/569176545.db2.gz HJIXLKIHPASEQR-UHFFFAOYSA-N -1 1 417.418 3.417 50 0 HGAAMM COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241507 569204145 /nfs/dbraw/zinc/20/41/45/569204145.db2.gz PXJKXIJLBJWJMX-UHFFFAOYSA-N -1 1 411.439 3.273 50 0 HGAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(Br)c2)[n-]c1=O ZINC000007421866 569237682 /nfs/dbraw/zinc/23/76/82/569237682.db2.gz GDVGKAGLCMIDER-UHFFFAOYSA-N -1 1 416.279 3.150 50 0 HGAAMM CCC(CC)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000014242136 569259162 /nfs/dbraw/zinc/25/91/62/569259162.db2.gz NZNONYTYXBADGZ-KRWDZBQOSA-N -1 1 416.547 3.027 50 0 HGAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016849594 569265632 /nfs/dbraw/zinc/26/56/32/569265632.db2.gz RJUCWMHPVZTWDZ-UHFFFAOYSA-N -1 1 419.407 3.471 50 0 HGAAMM NC(=O)c1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067298061 571072234 /nfs/dbraw/zinc/07/22/34/571072234.db2.gz SHIZXBFTGOESNI-NMWGTECJSA-N -1 1 406.423 3.179 50 0 HGAAMM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000040144809 571194968 /nfs/dbraw/zinc/19/49/68/571194968.db2.gz WGJCNGKTRLJNMZ-OAHLLOKOSA-N -1 1 420.556 3.437 50 0 HGAAMM CCOc1cc(-c2nnc([N-]C(=O)c3cc(C)on3)o2)cc(OCC)c1OCC ZINC000009204130 571236530 /nfs/dbraw/zinc/23/65/30/571236530.db2.gz LLTQRJOUPDGFJV-UHFFFAOYSA-N -1 1 402.407 3.481 50 0 HGAAMM CS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nn1 ZINC000009650556 571276697 /nfs/dbraw/zinc/27/66/97/571276697.db2.gz JXZSWJVAOYQTFI-UHFFFAOYSA-N -1 1 423.903 3.001 50 0 HGAAMM