smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000013570805 132350794 /nfs/dbraw/zinc/35/07/94/132350794.db2.gz UQDIXWYPJYASON-RVDMUPIBSA-N 0 1 448.342 3.720 50 10 IHCAMN COc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000010056358 537032553 /nfs/dbraw/zinc/03/25/53/537032553.db2.gz SSKDGMDSEACAOA-UHFFFAOYSA-N 0 1 447.579 3.775 50 10 IHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000001198431 555677665 /nfs/dbraw/zinc/67/76/65/555677665.db2.gz BYQBLKLIKNFVQQ-BOPFTXTBSA-N 0 1 429.929 3.723 50 10 IHCAMN O=C1NC(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1 ZINC000002982588 555872820 /nfs/dbraw/zinc/87/28/20/555872820.db2.gz ZNRLTSALDSIFKK-UHFFFAOYSA-N 0 1 427.663 3.596 50 10 IHCAMN O=C1C[C@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000024102684 557395999 /nfs/dbraw/zinc/39/59/99/557395999.db2.gz GHUPLHUOXWKGDG-HEUOVEHFSA-N 0 1 428.922 3.873 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000024102684 557396000 /nfs/dbraw/zinc/39/60/00/557396000.db2.gz GHUPLHUOXWKGDG-HEUOVEHFSA-N 0 1 428.922 3.873 50 10 IHCAMN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731036 569126341 /nfs/dbraw/zinc/12/63/41/569126341.db2.gz HZJRNFSLLHAQOP-ZBFHGGJFSA-N 0 1 440.927 3.886 50 10 biogenic IHCAMN [O-]c1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(CCO)CC2)ccc2cccnc12 ZINC000019789789 569329159 /nfs/dbraw/zinc/32/91/59/569329159.db2.gz GFRXMINJBHBBBN-OAQYLSRUSA-N 0 1 431.458 3.659 50 10 IHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000096115801 569383458 /nfs/dbraw/zinc/38/34/58/569383458.db2.gz VYPGEEBTYHQYIS-CQSZACIVSA-N 0 1 432.384 3.723 50 10 biogenic IHCAMN O=c1[nH]c2cc3c(cc2cc1-c1c2c[nH]nc2nc2c4ccc(O)c(O)c4oc21)OCCO3 ZINC000217839587 569453972 /nfs/dbraw/zinc/45/39/72/569453972.db2.gz CYBBYZVAUCRTQY-UHFFFAOYSA-N 0 1 442.387 3.548 50 10 biogenic IHCAMN CN(C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCN2C ZINC000008800522 569476506 /nfs/dbraw/zinc/47/65/06/569476506.db2.gz BGMSKISCGJOSRM-SFHVURJKSA-N 0 1 428.385 3.567 50 10 IHCAMN Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000001053357 132236926 /nfs/dbraw/zinc/23/69/26/132236926.db2.gz CPFFNSRJEYNUOX-MHWRWJLKSA-N 0 1 440.322 3.772 50 10 IHCAMN Cc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165205 132307517 /nfs/dbraw/zinc/30/75/17/132307517.db2.gz LQKRDQTVQSJNOI-XMMPIXPASA-N 0 1 434.584 3.659 50 10 IHCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000009828388 132329471 /nfs/dbraw/zinc/32/94/71/132329471.db2.gz QUEXDZNNCJJODJ-JOCHJYFZSA-N 0 1 440.975 3.614 50 10 IHCAMN COc1ccc(N2CCN(CCNc3ncnc4onc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000020940403 524427729 /nfs/dbraw/zinc/42/77/29/524427729.db2.gz KGYVJOGBXMBWHW-UHFFFAOYSA-N 0 1 448.502 3.667 50 10 IHCAMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000012916951 525221480 /nfs/dbraw/zinc/22/14/80/525221480.db2.gz WRYWWNAFODCNOL-UHFFFAOYSA-N 0 1 429.734 3.819 50 10 IHCAMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2c1 ZINC000012342306 525648064 /nfs/dbraw/zinc/64/80/64/525648064.db2.gz PKSNAQFYEWHQDA-XDHOZWIPSA-N 0 1 436.464 3.827 50 10 IHCAMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C(=O)N1 ZINC000002883841 555856927 /nfs/dbraw/zinc/85/69/27/555856927.db2.gz JACZYZROVBEKSH-UHFFFAOYSA-N 0 1 446.213 3.526 50 10 IHCAMN COc1ccc(N2CCN([C@@H]3CCCN(Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020351283 557009192 /nfs/dbraw/zinc/00/91/92/557009192.db2.gz CFLQBDXNIUFCFA-HXUWFJFHSA-N 0 1 426.630 3.817 50 10 IHCAMN CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000097944363 557229882 /nfs/dbraw/zinc/22/98/82/557229882.db2.gz ALIZLAJBCPUITL-ZHZULCJRSA-N 0 1 430.505 3.575 50 10 IHCAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102732756 557372129 /nfs/dbraw/zinc/37/21/29/557372129.db2.gz SYPBHEQVTDEXFB-KCZVDYSFSA-N 0 1 434.423 3.591 50 10 IHCAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(C(=O)OC)c1C ZINC000044827043 557537518 /nfs/dbraw/zinc/53/75/18/557537518.db2.gz HQBBRHDOFIUALZ-PTNGSMBKSA-N 0 1 427.482 3.738 50 10 IHCAMN CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 ZINC000016838218 569162817 /nfs/dbraw/zinc/16/28/17/569162817.db2.gz SQQVOMVNGFTAFC-GOSISDBHSA-N 0 1 432.362 3.991 50 10 IHCAMN COc1ccc(N2CCN(C[C@@H](O)COCCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000020347342 569361117 /nfs/dbraw/zinc/36/11/17/569361117.db2.gz PDVKXDWGAREKBA-UEMNXXGQSA-N 0 1 428.617 3.801 50 10 IHCAMN COC(=O)C[C@@H](c1cccnc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221962 569386996 /nfs/dbraw/zinc/38/69/96/569386996.db2.gz AJDXOMLYBNYLHQ-HNNXBMFYSA-N 0 1 433.416 3.667 50 10 biogenic IHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1Cl ZINC000000686755 132229181 /nfs/dbraw/zinc/22/91/81/132229181.db2.gz GXDBGIANKIPPMF-WOJGMQOQSA-N 0 1 437.908 3.976 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000001203354 132239390 /nfs/dbraw/zinc/23/93/90/132239390.db2.gz DQBHMCKUNXPXMC-NTUHNPAUSA-N 0 1 437.702 3.639 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 ZINC000006266713 132276933 /nfs/dbraw/zinc/27/69/33/132276933.db2.gz LFODACYTHSSFEU-AQTBWJFISA-N 0 1 440.521 3.712 50 10 IHCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000009135714 132306408 /nfs/dbraw/zinc/30/64/08/132306408.db2.gz ISUWZQHOERDYFG-QHCPKHFHSA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009165260 132307557 /nfs/dbraw/zinc/30/75/57/132307557.db2.gz WYSLUJGBYUTZPP-RUZDIDTESA-N 0 1 448.611 3.968 50 10 IHCAMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cccc1OC ZINC000009260275 132311594 /nfs/dbraw/zinc/31/15/94/132311594.db2.gz RGJFBILKNTWCKY-HNEYUBDGSA-N 0 1 428.485 3.843 50 10 IHCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 ZINC000009311655 132313447 /nfs/dbraw/zinc/31/34/47/132313447.db2.gz TZDAZGUPEPQWDZ-CHHVJCJISA-N 0 1 444.285 3.901 50 10 IHCAMN CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 ZINC000009311796 132313464 /nfs/dbraw/zinc/31/34/64/132313464.db2.gz BWUUWGPALHMAJS-BKUYFWCQSA-N 0 1 430.533 3.883 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000012362855 526091411 /nfs/dbraw/zinc/09/14/11/526091411.db2.gz FPWXCLYQXDMHBZ-YBFXNURJSA-N 0 1 436.924 3.974 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)COc3cccc4ccccc43)CC2)cc1 ZINC000009919389 536696637 /nfs/dbraw/zinc/69/66/37/536696637.db2.gz AXAIWDZBWSEZGG-UHFFFAOYSA-N 0 1 433.552 3.556 50 10 IHCAMN CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000023080576 556997953 /nfs/dbraw/zinc/99/79/53/556997953.db2.gz LMRYLKRTYQNZCR-VWLOTQADSA-N 0 1 438.616 3.650 50 10 IHCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018087197 557236087 /nfs/dbraw/zinc/23/60/87/557236087.db2.gz SIFVCQCQAKWGQN-ZLNRFVROSA-N 0 1 431.467 3.943 50 10 IHCAMN CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018087197 557236092 /nfs/dbraw/zinc/23/60/92/557236092.db2.gz SIFVCQCQAKWGQN-ZLNRFVROSA-N 0 1 431.467 3.943 50 10 IHCAMN COc1ccc(S(=O)(=O)c2c(C)c(NS(=O)(=O)c3ccccc3)c(C)cc2O)cc1 ZINC000003620783 562936819 /nfs/dbraw/zinc/93/68/19/562936819.db2.gz LSEWHIQWSZLEMV-UHFFFAOYSA-N 0 1 447.534 3.651 50 10 IHCAMN COC(=O)c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001203301 568788233 /nfs/dbraw/zinc/78/82/33/568788233.db2.gz SOROEDYQGAQXBJ-OQLLNIDSSA-N 0 1 445.294 3.907 50 10 IHCAMN O=C1C[C@@H](N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000001447176 568817688 /nfs/dbraw/zinc/81/76/88/568817688.db2.gz GHUPLHUOXWKGDG-CCAPLTMGSA-N 0 1 428.922 3.873 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3ccccc3)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000001447176 568817689 /nfs/dbraw/zinc/81/76/89/568817689.db2.gz GHUPLHUOXWKGDG-CCAPLTMGSA-N 0 1 428.922 3.873 50 10 IHCAMN Cc1c([O-])c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c3ccccc3c(=O)oc12 ZINC000524729820 569297699 /nfs/dbraw/zinc/29/76/99/569297699.db2.gz KTTRTKRWKKPOPU-SJORKVTESA-N 0 1 428.488 3.741 50 10 biogenic IHCAMN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 ZINC000009355054 569525212 /nfs/dbraw/zinc/52/52/12/569525212.db2.gz YILSLLRZHBFLIY-BKUYFWCQSA-N 0 1 446.532 3.719 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 ZINC000009165228 132307552 /nfs/dbraw/zinc/30/75/52/132307552.db2.gz XCEHUJCQZAUTEO-VWLOTQADSA-N 0 1 448.611 3.968 50 10 IHCAMN COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c1 ZINC000018208812 524842721 /nfs/dbraw/zinc/84/27/21/524842721.db2.gz SMJWFWXIGJENIN-LGMDPLHJSA-N 0 1 433.489 3.601 50 10 IHCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000001155400 557119405 /nfs/dbraw/zinc/11/94/05/557119405.db2.gz UCKAXDRRFQUIPD-FOWTUZBSSA-N 0 1 433.302 3.810 50 10 IHCAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006169128 568849553 /nfs/dbraw/zinc/84/95/53/568849553.db2.gz QELFWBJMUQVTSL-JWGURIENSA-N 0 1 438.553 3.888 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007896 569306393 /nfs/dbraw/zinc/30/63/93/569306393.db2.gz IPUJSNVXAXKCOD-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000002462488 569316284 /nfs/dbraw/zinc/31/62/84/569316284.db2.gz ICPAMHNEWRESJI-XZOQPEGZSA-N 0 1 443.478 3.953 50 10 IHCAMN COC(=O)C[C@H](c1ccc(O)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220999 569386783 /nfs/dbraw/zinc/38/67/83/569386783.db2.gz SPVFCMLMVCFANP-MRXNPFEDSA-N 0 1 448.427 3.977 50 10 biogenic IHCAMN O=c1[nH]c2cc3c(cc2cc1-c1c2c[nH]nc2nc2c4ccc(O)c(O)c4oc21)OCO3 ZINC000217918272 569454947 /nfs/dbraw/zinc/45/49/47/569454947.db2.gz HVHIBBMKALYBJG-UHFFFAOYSA-N 0 1 428.360 3.506 50 10 biogenic IHCAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964163 569491225 /nfs/dbraw/zinc/49/12/25/569491225.db2.gz UJPKYZRYAINMCT-QFIPXVFZSA-N 0 1 440.975 3.533 50 10 IHCAMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 ZINC000008454161 132282291 /nfs/dbraw/zinc/28/22/91/132282291.db2.gz WMZMAWHNCJRGFQ-CIAFOILYSA-N 0 1 446.532 3.719 50 10 IHCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000008843025 132295927 /nfs/dbraw/zinc/29/59/27/132295927.db2.gz LATNMCFFYXOVCS-ZHZULCJRSA-N 0 1 434.496 3.855 50 10 IHCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000009135511 132306262 /nfs/dbraw/zinc/30/62/62/132306262.db2.gz XEVMRLABVBANQO-JOCHJYFZSA-N 0 1 440.975 3.614 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 ZINC000009135766 132306464 /nfs/dbraw/zinc/30/64/64/132306464.db2.gz JISPFQHJWLFDOG-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138071 132306608 /nfs/dbraw/zinc/30/66/08/132306608.db2.gz WUTRWXIQSVTLDK-XMMPIXPASA-N 0 1 434.584 3.659 50 10 IHCAMN CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S ZINC000009353264 132314223 /nfs/dbraw/zinc/31/42/23/132314223.db2.gz RVTVQLLZGCIFNC-MOSHPQCFSA-N 0 1 430.533 3.883 50 10 IHCAMN CCOc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3C)C1=O)OCO2 ZINC000001133071 520789178 /nfs/dbraw/zinc/78/91/78/520789178.db2.gz JXKCSCYEWXPJSK-NTUHNPAUSA-N 0 1 444.896 3.607 50 10 IHCAMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1C ZINC000001134862 523126218 /nfs/dbraw/zinc/12/62/18/523126218.db2.gz IMLDBRWECBOTAQ-CXUHLZMHSA-N 0 1 432.343 3.719 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)NC2=S)cc1 ZINC000001163547 536656816 /nfs/dbraw/zinc/65/68/16/536656816.db2.gz ISWUVZPVTXIHHQ-XSFVSMFZSA-N 0 1 431.517 3.934 50 10 IHCAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000001198338 555677650 /nfs/dbraw/zinc/67/76/50/555677650.db2.gz HKMBHPJHKJHZMN-BOPFTXTBSA-N 0 1 430.913 3.969 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000002978818 556153595 /nfs/dbraw/zinc/15/35/95/556153595.db2.gz VEDZYRAAGAMWHG-CPNJWEJPSA-N 0 1 437.908 3.971 50 10 IHCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330811 556339425 /nfs/dbraw/zinc/33/94/25/556339425.db2.gz ZKEUNTPUFKBWDT-OAQYLSRUSA-N 0 1 428.964 3.606 50 10 IHCAMN COc1cccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 ZINC000013809718 556744132 /nfs/dbraw/zinc/74/41/32/556744132.db2.gz HJPLVLMFYXESTH-KQWNVCNZSA-N 0 1 430.460 3.614 50 10 IHCAMN COC(=O)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000025702019 557222645 /nfs/dbraw/zinc/22/26/45/557222645.db2.gz SFBPFLBMORZMIT-RUZDIDTESA-N 0 1 446.503 3.819 50 10 IHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000013424486 557322865 /nfs/dbraw/zinc/32/28/65/557322865.db2.gz OGEJQLBTZOJZEI-ZROIWOOFSA-N 0 1 441.783 3.763 50 10 IHCAMN COCCC[N@@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730815 568904184 /nfs/dbraw/zinc/90/41/84/568904184.db2.gz YJIOFMPLZBQLPR-SIKLNZKXSA-N 0 1 428.573 3.910 50 10 biogenic IHCAMN COCCC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730815 568904185 /nfs/dbraw/zinc/90/41/85/568904185.db2.gz YJIOFMPLZBQLPR-SIKLNZKXSA-N 0 1 428.573 3.910 50 10 biogenic IHCAMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)c1 ZINC000009355101 569525194 /nfs/dbraw/zinc/52/51/94/569525194.db2.gz WMZMAWHNCJRGFQ-MTJSOVHGSA-N 0 1 446.532 3.719 50 10 IHCAMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000009263205 132311721 /nfs/dbraw/zinc/31/17/21/132311721.db2.gz DHUBXWWPKWETJD-ATVHPVEESA-N 0 1 437.908 3.976 50 10 IHCAMN COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1OC ZINC000012323059 522831198 /nfs/dbraw/zinc/83/11/98/522831198.db2.gz QYGYLQGCOIISPM-HNNXBMFYSA-N 0 1 438.480 3.888 50 10 IHCAMN C[C@]1(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012100279 525238905 /nfs/dbraw/zinc/23/89/05/525238905.db2.gz NOUOPLVNKAZHRZ-OAQYLSRUSA-N 0 1 433.961 3.830 50 10 IHCAMN O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc([O-])c(C[NH+]3CCOCC3)c2o1 ZINC000020611369 527472847 /nfs/dbraw/zinc/47/28/47/527472847.db2.gz BMMQZOXLNLHZPI-UHFFFAOYSA-N 0 1 439.851 3.758 50 10 biogenic IHCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000009828389 536397714 /nfs/dbraw/zinc/39/77/14/536397714.db2.gz QUEXDZNNCJJODJ-QFIPXVFZSA-N 0 1 440.975 3.614 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000000661853 536658407 /nfs/dbraw/zinc/65/84/07/536658407.db2.gz JGHYNBKJFJKOBJ-LICLKQGHSA-N 0 1 427.526 3.534 50 10 IHCAMN COc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000004108453 555963140 /nfs/dbraw/zinc/96/31/40/555963140.db2.gz VVOGXNSLSIHSDR-XSFVSMFZSA-N 0 1 429.476 3.765 50 10 IHCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330804 556339459 /nfs/dbraw/zinc/33/94/59/556339459.db2.gz ZKEUNTPUFKBWDT-NRFANRHFSA-N 0 1 428.964 3.606 50 10 IHCAMN COc1ccc(OCCOc2ccc(C)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000013943351 556340721 /nfs/dbraw/zinc/34/07/21/556340721.db2.gz PHTYOXOMTKTOFO-HAVVHWLPSA-N 0 1 444.487 3.923 50 10 IHCAMN COC(=O)C=C1NN(c2ccc(OC(F)(F)F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccccc1 ZINC000100431622 557261055 /nfs/dbraw/zinc/26/10/55/557261055.db2.gz QZAOCPNJIIUKJI-ZHZULCJRSA-N 0 1 447.413 3.915 50 10 IHCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl ZINC000027501183 557263157 /nfs/dbraw/zinc/26/31/57/557263157.db2.gz KEABDKRVVAAOPB-ZSOIEALJSA-N 0 1 434.721 3.938 50 10 IHCAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102732752 557371717 /nfs/dbraw/zinc/37/17/17/557371717.db2.gz SYPBHEQVTDEXFB-TUNNFDKTSA-N 0 1 434.423 3.591 50 10 IHCAMN COc1ccc(N2CCN(C(=O)c3n[nH]c(-c4ccccc4)c3Br)CC2)cc1 ZINC000065095170 569103461 /nfs/dbraw/zinc/10/34/61/569103461.db2.gz CQFQHFPMOGLTLW-UHFFFAOYSA-N 0 1 441.329 3.810 50 10 IHCAMN CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013008040 569306440 /nfs/dbraw/zinc/30/64/40/569306440.db2.gz XOOHYZFPMDINCR-XMMPIXPASA-N 0 1 434.584 3.523 50 10 IHCAMN CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 ZINC000013008113 569306592 /nfs/dbraw/zinc/30/65/92/569306592.db2.gz NNEVEQRCERSVRI-QFIPXVFZSA-N 0 1 440.975 3.614 50 10 IHCAMN O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008819239 569477072 /nfs/dbraw/zinc/47/70/72/569477072.db2.gz VNUPVFQCXOYKLL-SXGWCWSVSA-N 0 1 447.469 3.670 50 10 IHCAMN COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(OC)c1 ZINC000245330352 569504079 /nfs/dbraw/zinc/50/40/79/569504079.db2.gz XTFDACXCSJXCCZ-VWNXMTODSA-N 0 1 440.584 3.747 50 10 IHCAMN COC(=O)C=C1NN(c2ccc(OC(F)(F)F)cc2)C([O-])=C1C(C)=[NH+]Cc1ccccc1 ZINC000009356358 569525479 /nfs/dbraw/zinc/52/54/79/569525479.db2.gz QZAOCPNJIIUKJI-XSFVSMFZSA-N 0 1 447.413 3.915 50 10 IHCAMN C[NH+]1CCN(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)CC1 ZINC000009420955 569532697 /nfs/dbraw/zinc/53/26/97/569532697.db2.gz LQBWCUHSAMNCCM-MSUUIHNZSA-N 0 1 427.636 3.531 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)cc1 ZINC000009425286 569533221 /nfs/dbraw/zinc/53/32/21/569533221.db2.gz GJRXANRCAKBTGI-QNGOZBTKSA-N 0 1 447.560 3.615 50 10 IHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000002422141 132254163 /nfs/dbraw/zinc/25/41/63/132254163.db2.gz HLXDQUHUZRNGLV-NDENLUEZSA-N 0 1 435.480 3.770 50 10 IHCAMN CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21 ZINC000009138369 132306680 /nfs/dbraw/zinc/30/66/80/132306680.db2.gz MQJBVCROJNLJAA-XMMPIXPASA-N 0 1 440.632 3.551 50 10 IHCAMN C[C@H]1CCCN(c2cc(NCCN(C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641226 132324370 /nfs/dbraw/zinc/32/43/70/132324370.db2.gz ATLOQSNQWJCKSL-INIZCTEOSA-N 0 1 434.540 3.612 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000013512639 132349104 /nfs/dbraw/zinc/34/91/04/132349104.db2.gz HLXDQUHUZRNGLV-UDWIEESQSA-N 0 1 435.480 3.770 50 10 IHCAMN CCOc1ccc(N2C(=O)C(=CNc3ccc(N(CC)CC)cc3)C(=O)NC2=S)cc1 ZINC000013809760 132354698 /nfs/dbraw/zinc/35/46/98/132354698.db2.gz WHTGBKCEMPNUMV-HMMYKYKNSA-N 0 1 438.553 3.675 50 10 IHCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(OC)c1OC ZINC000001125908 521961826 /nfs/dbraw/zinc/96/18/26/521961826.db2.gz KEVMDGHFUSXAIN-MDWZMJQESA-N 0 1 446.912 3.506 50 10 IHCAMN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)N2CCN(C)CC2)cc1 ZINC000022589305 522246857 /nfs/dbraw/zinc/24/68/57/522246857.db2.gz DQTVRPIEYHHIOT-SANMLTNESA-N 0 1 430.596 3.553 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000009435804 536659327 /nfs/dbraw/zinc/65/93/27/536659327.db2.gz LMADXHKGRZXCOQ-ATVHPVEESA-N 0 1 449.444 3.695 50 10 IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1 ZINC000002303586 555766841 /nfs/dbraw/zinc/76/68/41/555766841.db2.gz FGQBCVOAOSUATK-PGMHBOJBSA-N 0 1 430.460 3.614 50 10 IHCAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 ZINC000002672426 556118375 /nfs/dbraw/zinc/11/83/75/556118375.db2.gz OKZWSWQZDPHHJQ-UHFFFAOYSA-N 0 1 444.491 3.776 50 10 IHCAMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000016575602 556615841 /nfs/dbraw/zinc/61/58/41/556615841.db2.gz QTARTDYWWBHVKC-LFIBNONCSA-N 0 1 430.913 3.967 50 10 IHCAMN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000044910867 556680577 /nfs/dbraw/zinc/68/05/77/556680577.db2.gz KPZDCEWDRXYOJX-UHFFFAOYSA-N 0 1 427.976 3.705 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000206330638 556750921 /nfs/dbraw/zinc/75/09/21/556750921.db2.gz JGNFLSPIIMNAGC-KGENOOAVSA-N 0 1 442.471 3.993 50 10 IHCAMN COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000001050213 568654510 /nfs/dbraw/zinc/65/45/10/568654510.db2.gz CUMDRNRQHSWKIE-UHFFFAOYSA-N 0 1 447.534 3.651 50 10 IHCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000002774566 568789197 /nfs/dbraw/zinc/78/91/97/568789197.db2.gz LTDJMUWIZRBDNP-UHFFFAOYSA-N 0 1 435.263 3.721 50 10 IHCAMN CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1 ZINC000001117433 569176747 /nfs/dbraw/zinc/17/67/47/569176747.db2.gz IQYFZDPPTRYJON-UHFFFAOYSA-N 0 1 426.856 3.606 50 10 IHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 ZINC000013008092 569306409 /nfs/dbraw/zinc/30/64/09/569306409.db2.gz MDQFDWSGDAMWOO-DEOSSOPVSA-N 0 1 448.611 3.886 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOCCOc2ccccc2)cc1 ZINC000009186668 569510279 /nfs/dbraw/zinc/51/02/79/569510279.db2.gz GONGUHMZSFUCMX-CLCOLTQESA-N 0 1 444.487 3.622 50 10 IHCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000009310289 569521693 /nfs/dbraw/zinc/52/16/93/569521693.db2.gz FOUZVZIDMYEFOJ-UHFFFAOYSA-N 0 1 435.263 3.721 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 ZINC000001187116 132239033 /nfs/dbraw/zinc/23/90/33/132239033.db2.gz YILSLLRZHBFLIY-FYJGNVAPSA-N 0 1 446.532 3.719 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000009360345 536658218 /nfs/dbraw/zinc/65/82/18/536658218.db2.gz BXJPZVBCCIGFPY-LTGZKZEYSA-N 0 1 435.549 3.907 50 10 IHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000015012636 556483752 /nfs/dbraw/zinc/48/37/52/556483752.db2.gz FLDDQXSSLPIEEH-ODLFYWEKSA-N 0 1 445.500 3.654 50 10 IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1OCC(C)C ZINC000016265478 556595396 /nfs/dbraw/zinc/59/53/96/556595396.db2.gz SPOSOEWZRFAMML-YVLHZVERSA-N 0 1 445.313 3.954 50 10 IHCAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCOC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409413240 556640681 /nfs/dbraw/zinc/64/06/81/556640681.db2.gz GFQIARMUCJSYDI-SIKLNZKXSA-N 0 1 428.573 3.774 50 10 biogenic IHCAMN CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCOC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409413240 556640685 /nfs/dbraw/zinc/64/06/85/556640685.db2.gz GFQIARMUCJSYDI-SIKLNZKXSA-N 0 1 428.573 3.774 50 10 biogenic IHCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1Cl ZINC000033334435 557333467 /nfs/dbraw/zinc/33/34/67/557333467.db2.gz MBPVLCWVXFIYTE-PTNGSMBKSA-N 0 1 431.901 3.750 50 10 IHCAMN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000044910871 557540731 /nfs/dbraw/zinc/54/07/31/557540731.db2.gz LRWVYNVNDGNDFR-UHFFFAOYSA-N 0 1 427.976 3.705 50 10 IHCAMN CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000089960829 569169047 /nfs/dbraw/zinc/16/90/47/569169047.db2.gz UAGJEJDVRXQIGC-HXUWFJFHSA-N 0 1 429.948 3.532 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 ZINC000001163680 132237961 /nfs/dbraw/zinc/23/79/61/132237961.db2.gz LFODACYTHSSFEU-QGOAFFKASA-N 0 1 440.521 3.712 50 10 IHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000001206498 132239701 /nfs/dbraw/zinc/23/97/01/132239701.db2.gz BLPFROWCILVEIZ-DHDCSXOGSA-N 0 1 426.295 3.762 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000006508354 132277607 /nfs/dbraw/zinc/27/76/07/132277607.db2.gz XQBSJKLIHZQSHG-WJDWOHSUSA-N 0 1 431.311 3.679 50 10 IHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000008985887 132299561 /nfs/dbraw/zinc/29/95/61/132299561.db2.gz WPZVUAVGZQBABK-UNOMPAQXSA-N 0 1 434.496 3.768 50 10 IHCAMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)coc32)C1 ZINC000041586623 521112855 /nfs/dbraw/zinc/11/28/55/521112855.db2.gz FROVUJTXBRFPKZ-QGZVFWFLSA-N 0 1 437.492 3.949 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000022215887 523417137 /nfs/dbraw/zinc/41/71/37/523417137.db2.gz SDDOFGDPZBILAQ-XNTDXEJSSA-N 0 1 431.311 3.597 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000001195158 536598168 /nfs/dbraw/zinc/59/81/68/536598168.db2.gz LMHISXYJLXNZJA-NTEUORMPSA-N 0 1 431.311 3.597 50 10 IHCAMN COc1ccc(N2CCN(C(=O)C3CCN(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC000009063214 536676722 /nfs/dbraw/zinc/67/67/22/536676722.db2.gz GWYAUXPVALPILK-UHFFFAOYSA-N 0 1 427.976 3.909 50 10 IHCAMN CCCOc1ccccc1/C=C1/C(=O)NN(c2ccc(I)cc2)C1=O ZINC000013562080 556517907 /nfs/dbraw/zinc/51/79/07/556517907.db2.gz VFXAKSVLWISALV-VBKFSLOCSA-N 0 1 448.260 3.541 50 10 IHCAMN COc1cccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1 ZINC000001830874 568915934 /nfs/dbraw/zinc/91/59/34/568915934.db2.gz HJPLVLMFYXESTH-XQNSMLJCSA-N 0 1 430.460 3.614 50 10 IHCAMN CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCC3)ccc21 ZINC000016838220 569162760 /nfs/dbraw/zinc/16/27/60/569162760.db2.gz SQQVOMVNGFTAFC-SFHVURJKSA-N 0 1 432.362 3.991 50 10 IHCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)C1=O ZINC000002315587 569272442 /nfs/dbraw/zinc/27/24/42/569272442.db2.gz BIKMUFZGQYTXEI-GHRIWEEISA-N 0 1 437.883 3.855 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1C ZINC000013008079 569306444 /nfs/dbraw/zinc/30/64/44/569306444.db2.gz HPIRAEQFPWGXMP-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000095483643 569374624 /nfs/dbraw/zinc/37/46/24/569374624.db2.gz LXPXVPZNTKCSBO-XPNTWCBSSA-N 0 1 430.460 3.760 50 10 IHCAMN COC(=O)C[C@H](c1cccc(O)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221901 569387109 /nfs/dbraw/zinc/38/71/09/569387109.db2.gz CUUHNHMOQUIBCP-MRXNPFEDSA-N 0 1 448.427 3.977 50 10 biogenic IHCAMN COC(=O)C[C@H](c1ccncc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222354 569387168 /nfs/dbraw/zinc/38/71/68/569387168.db2.gz RPQTXTAZFYLFQO-OAHLLOKOSA-N 0 1 433.416 3.667 50 10 biogenic IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000002993644 569435033 /nfs/dbraw/zinc/43/50/33/569435033.db2.gz BVOKLSUSJNRCBP-CJLVFECKSA-N 0 1 445.431 3.514 50 10 IHCAMN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008964208 569491145 /nfs/dbraw/zinc/49/11/45/569491145.db2.gz XZPWBLLCQNDOLW-XMMPIXPASA-N 0 1 434.584 3.694 50 10 IHCAMN O=C1C[C@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 ZINC000009252868 569516062 /nfs/dbraw/zinc/51/60/62/569516062.db2.gz GZWFLTWADOSEAQ-PGLQMZEQSA-N 0 1 433.514 3.701 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 ZINC000009252868 569516063 /nfs/dbraw/zinc/51/60/63/569516063.db2.gz GZWFLTWADOSEAQ-PGLQMZEQSA-N 0 1 433.514 3.701 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135518 132227341 /nfs/dbraw/zinc/22/73/41/132227341.db2.gz PUJGMNOSYXSTTA-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000009311831 132313425 /nfs/dbraw/zinc/31/34/25/132313425.db2.gz ASICCYJPJSNDGS-VBKFSLOCSA-N 0 1 427.501 3.512 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 ZINC000009934514 132332058 /nfs/dbraw/zinc/33/20/58/132332058.db2.gz FVLCSRMDHQGSNL-SDQBBNPISA-N 0 1 437.702 3.639 50 10 IHCAMN CCOc1ccc(NC(=S)NCCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004791751 535750520 /nfs/dbraw/zinc/75/05/20/535750520.db2.gz VHLPETZIMDPZJC-UHFFFAOYSA-N 0 1 428.602 3.593 50 10 IHCAMN COc1ccc(N2CCN(C[C@@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009469855 536699022 /nfs/dbraw/zinc/69/90/22/536699022.db2.gz RSQBHLLOPQJJHC-RUZDIDTESA-N 0 1 432.564 3.984 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000000678628 555536042 /nfs/dbraw/zinc/53/60/42/555536042.db2.gz UHHVSPAKYQQAPS-XDHOZWIPSA-N 0 1 448.450 3.883 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1Cl ZINC000004330794 556339537 /nfs/dbraw/zinc/33/95/37/556339537.db2.gz WDDKCPJQIKMDII-NRFANRHFSA-N 0 1 428.964 3.606 50 10 IHCAMN COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000015010850 556483177 /nfs/dbraw/zinc/48/31/77/556483177.db2.gz JTEBWKYPKDPJFK-SXGWCWSVSA-N 0 1 432.479 3.719 50 10 IHCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000001152125 557119337 /nfs/dbraw/zinc/11/93/37/557119337.db2.gz OKKBIJRTGKWMPK-CPNJWEJPSA-N 0 1 437.883 3.855 50 10 IHCAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000018153726 557243773 /nfs/dbraw/zinc/24/37/73/557243773.db2.gz SYPBHEQVTDEXFB-SJBKTWHCSA-N 0 1 434.423 3.591 50 10 IHCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102728788 557370572 /nfs/dbraw/zinc/37/05/72/557370572.db2.gz LXPXVPZNTKCSBO-QZNHQXDQSA-N 0 1 430.460 3.760 50 10 IHCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102728796 557370745 /nfs/dbraw/zinc/37/07/45/557370745.db2.gz LXPXVPZNTKCSBO-MQSCRBSSSA-N 0 1 430.460 3.760 50 10 IHCAMN CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 ZINC000013007752 569306486 /nfs/dbraw/zinc/30/64/86/569306486.db2.gz LXUAZDHUHFKTON-GOSISDBHSA-N 0 1 432.362 3.991 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013008047 569306520 /nfs/dbraw/zinc/30/65/20/569306520.db2.gz UDGZIUJNDDJEML-DEOSSOPVSA-N 0 1 434.584 3.523 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 ZINC000013008123 569306599 /nfs/dbraw/zinc/30/65/99/569306599.db2.gz TXWPNWIGCKTEOK-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN CCOC(=O)c1c(CN2CCCC2)n(C)c2cc(-c3cccnc3)c3c(c21)CN(C)CO3 ZINC000059150174 569459538 /nfs/dbraw/zinc/45/95/38/569459538.db2.gz DIWFFMUZBGUPAV-UHFFFAOYSA-N 0 1 434.540 3.795 50 10 IHCAMN COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1cccc(OC)c1 ZINC000245330350 569504071 /nfs/dbraw/zinc/50/40/71/569504071.db2.gz XTFDACXCSJXCCZ-UPVQGACJSA-N 0 1 440.584 3.747 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1C ZINC000009135762 132227561 /nfs/dbraw/zinc/22/75/61/132227561.db2.gz PHGHRISWRRBOJY-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000009076621 132302222 /nfs/dbraw/zinc/30/22/22/132302222.db2.gz WXUUYLQOKYRHRL-DTQAZKPQSA-N 0 1 428.945 3.930 50 10 IHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 ZINC000009135719 132306360 /nfs/dbraw/zinc/30/63/60/132306360.db2.gz ADCJBMJTIDYVKA-XMMPIXPASA-N 0 1 448.611 3.886 50 10 IHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 ZINC000009135718 132306386 /nfs/dbraw/zinc/30/63/86/132306386.db2.gz ADCJBMJTIDYVKA-DEOSSOPVSA-N 0 1 448.611 3.886 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135773 132306430 /nfs/dbraw/zinc/30/64/30/132306430.db2.gz ZBALCNLFOWGXGW-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000009354911 132314264 /nfs/dbraw/zinc/31/42/64/132314264.db2.gz RVKSNXLGAPKSJD-QGOAFFKASA-N 0 1 428.945 3.930 50 10 IHCAMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)coc32)C1 ZINC000041586624 521297192 /nfs/dbraw/zinc/29/71/92/521297192.db2.gz FROVUJTXBRFPKZ-KRWDZBQOSA-N 0 1 437.492 3.949 50 10 IHCAMN CN1CCN([C@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734774 523920715 /nfs/dbraw/zinc/92/07/15/523920715.db2.gz GDAGRKVQEZVRBN-JOCHJYFZSA-N 0 1 444.982 3.580 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000012868135 526091564 /nfs/dbraw/zinc/09/15/64/526091564.db2.gz ZUYRBGHWSOJHHD-PXLXIMEGSA-N 0 1 434.540 3.955 50 10 IHCAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000022698544 527051920 /nfs/dbraw/zinc/05/19/20/527051920.db2.gz SDDGDJKJBDEXMY-UHFFFAOYSA-N 0 1 440.484 3.978 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000009560778 536696958 /nfs/dbraw/zinc/69/69/58/536696958.db2.gz WQBUWDVPHOKJOL-UHFFFAOYSA-N 0 1 432.952 3.691 50 10 IHCAMN COc1ccc(N2CCN([C@H]3CCCN(Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020351286 557008980 /nfs/dbraw/zinc/00/89/80/557008980.db2.gz CFLQBDXNIUFCFA-FQEVSTJZSA-N 0 1 426.630 3.817 50 10 IHCAMN O=C1NC(=O)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)C(=O)N1 ZINC000016267133 557154423 /nfs/dbraw/zinc/15/44/23/557154423.db2.gz CZKYVOXCZLAUPA-HSZRJFAPSA-N 0 1 436.471 3.792 50 10 IHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000016676205 557475211 /nfs/dbraw/zinc/47/52/11/557475211.db2.gz BYQBLKLIKNFVQQ-GZTJUZNOSA-N 0 1 429.929 3.723 50 10 IHCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226970051 557811522 /nfs/dbraw/zinc/81/15/22/557811522.db2.gz SIFVCQCQAKWGQN-YTFSRNRJSA-N 0 1 431.467 3.943 50 10 IHCAMN CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226970051 557811523 /nfs/dbraw/zinc/81/15/23/557811523.db2.gz SIFVCQCQAKWGQN-YTFSRNRJSA-N 0 1 431.467 3.943 50 10 IHCAMN COc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC ZINC000020114385 563023831 /nfs/dbraw/zinc/02/38/31/563023831.db2.gz KFOHUCYWGJGHPM-UXBLZVDNSA-N 0 1 446.551 3.964 50 10 IHCAMN COc1cccc(OCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000015769707 568822096 /nfs/dbraw/zinc/82/20/96/568822096.db2.gz OFKNBQOSENXWLJ-CJLVFECKSA-N 0 1 430.460 3.614 50 10 IHCAMN O=C(Oc1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1)c1ccc(F)cc1 ZINC000016247720 568874959 /nfs/dbraw/zinc/87/49/59/568874959.db2.gz OABIKCZUYIPOPD-STZFKDTASA-N 0 1 444.418 3.707 50 10 IHCAMN COc1ccc(N2CCN(C[C@@H](O)COCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017112905 569174166 /nfs/dbraw/zinc/17/41/66/569174166.db2.gz XJBBGUBDVLVFOW-HSZRJFAPSA-N 0 1 442.600 3.571 50 10 IHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2 ZINC000096114889 569383019 /nfs/dbraw/zinc/38/30/19/569383019.db2.gz YFCGIFCOYFWNDZ-CQSZACIVSA-N 0 1 432.384 3.723 50 10 biogenic IHCAMN COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c(O)c(-c4ccc(O)c(O)c4)coc-3c21 ZINC000096115676 569383253 /nfs/dbraw/zinc/38/32/53/569383253.db2.gz KOVAYCPGHJYPEG-ZDUSSCGKSA-N 0 1 447.399 3.773 50 10 biogenic IHCAMN Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009056545 569499020 /nfs/dbraw/zinc/49/90/20/569499020.db2.gz DRNZINMNVXHLTE-UHFFFAOYSA-N 0 1 433.493 3.978 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(C)c1 ZINC000009135764 132306469 /nfs/dbraw/zinc/30/64/69/132306469.db2.gz JISPFQHJWLFDOG-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000006645196 536657617 /nfs/dbraw/zinc/65/76/17/536657617.db2.gz YWDGUQLFZZHNBW-QPEQYQDCSA-N 0 1 437.304 3.842 50 10 IHCAMN O=C1C[C@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 ZINC000001131364 555644801 /nfs/dbraw/zinc/64/48/01/555644801.db2.gz CTFQRIJYJLCGSB-HEUOVEHFSA-N 0 1 428.922 3.873 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 ZINC000001131364 555644804 /nfs/dbraw/zinc/64/48/04/555644804.db2.gz CTFQRIJYJLCGSB-HEUOVEHFSA-N 0 1 428.922 3.873 50 10 IHCAMN CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O ZINC000012040347 556390773 /nfs/dbraw/zinc/39/07/73/556390773.db2.gz IZQXPXHGAPQCNR-RTWAWAEBSA-N 0 1 441.528 3.913 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccccc1 ZINC000033039574 556731303 /nfs/dbraw/zinc/73/13/03/556731303.db2.gz FGQBCVOAOSUATK-LTGZKZEYSA-N 0 1 430.460 3.614 50 10 IHCAMN CCOC(=O)c1c(C)c(C(=O)OC)sc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000044827037 557537380 /nfs/dbraw/zinc/53/73/80/557537380.db2.gz BVEXAWBRMLXWMC-PTNGSMBKSA-N 0 1 427.482 3.738 50 10 IHCAMN NC(=O)CN(Cc1ccccc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000225695305 557765324 /nfs/dbraw/zinc/76/53/24/557765324.db2.gz ZERJCSFBFFRCBB-UHFFFAOYSA-N 0 1 447.919 3.772 50 10 IHCAMN CCOc1ccc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1OCC ZINC000002059244 568742563 /nfs/dbraw/zinc/74/25/63/568742563.db2.gz UTILPFVDJDVGAY-MHWRWJLKSA-N 0 1 431.286 3.708 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)ccc1OC(C)C ZINC000027499779 569216519 /nfs/dbraw/zinc/21/65/19/569216519.db2.gz VIBSRYGUOQNRRX-CXUHLZMHSA-N 0 1 431.286 3.706 50 10 IHCAMN CCN1C(=O)NC(=O)/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C1=O ZINC000002314297 569272339 /nfs/dbraw/zinc/27/23/39/569272339.db2.gz IMYDDTZYWMFWIV-XDJHFCHBSA-N 0 1 447.491 3.601 50 10 IHCAMN CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCCCC3)ccc21 ZINC000013008110 569306603 /nfs/dbraw/zinc/30/66/03/569306603.db2.gz NNEVEQRCERSVRI-JOCHJYFZSA-N 0 1 440.975 3.614 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000013940154 569321753 /nfs/dbraw/zinc/32/17/53/569321753.db2.gz BVOKLSUSJNRCBP-JWGURIENSA-N 0 1 445.431 3.514 50 10 IHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000096114888 569383030 /nfs/dbraw/zinc/38/30/30/569383030.db2.gz YFCGIFCOYFWNDZ-AWEZNQCLSA-N 0 1 432.384 3.723 50 10 biogenic IHCAMN CCOc1ccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@H]3C)C(=O)NC2=S)cc1 ZINC000096246896 193943784 /nfs/dbraw/zinc/94/37/84/193943784.db2.gz ZIHZDQGNUVSGTD-RMENWYJGSA-N 0 1 439.512 3.697 50 10 IHCAMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000000660583 132228775 /nfs/dbraw/zinc/22/87/75/132228775.db2.gz NXSZQBCCGASVDI-CRRKTRLDSA-N 0 1 440.521 3.712 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C ZINC000009165212 132307478 /nfs/dbraw/zinc/30/74/78/132307478.db2.gz BJWGKEUZBBINPA-VWLOTQADSA-N 0 1 448.611 3.968 50 10 IHCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1Cl ZINC000009262696 132311582 /nfs/dbraw/zinc/31/15/82/132311582.db2.gz XFNCIZAGPYQPFS-YRNVUSSQSA-N 0 1 425.691 3.835 50 10 IHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(C)c(-c4cc(OC)ccc4OC)c(=O)oc32)CC1 ZINC000020612261 521686868 /nfs/dbraw/zinc/68/68/68/521686868.db2.gz ZMUWVKDYVFAGKV-UHFFFAOYSA-N 0 1 438.524 3.629 50 10 biogenic IHCAMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000012363143 522127102 /nfs/dbraw/zinc/12/71/02/522127102.db2.gz CLKFOXJWKNDLGM-NBVRZTHBSA-N 0 1 434.496 3.514 50 10 IHCAMN O=C1NC(=O)C(=Cc2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000003073045 556306120 /nfs/dbraw/zinc/30/61/20/556306120.db2.gz PLPPFIIXIPGIET-UHFFFAOYSA-N 0 1 426.435 3.945 50 10 IHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000001065677 568656109 /nfs/dbraw/zinc/65/61/09/568656109.db2.gz HRNALRBSTOSKMV-LDADJPATSA-N 0 1 427.501 3.512 50 10 IHCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000016676168 568937191 /nfs/dbraw/zinc/93/71/91/568937191.db2.gz AHHZAWKSCVKFEM-NTUHNPAUSA-N 0 1 447.856 3.937 50 10 IHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1cccc2ccccc21 ZINC000002222433 569204606 /nfs/dbraw/zinc/20/46/06/569204606.db2.gz NIPISIWQTTWNII-HMAPJEAMSA-N 0 1 425.444 3.945 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C ZINC000013008121 569306624 /nfs/dbraw/zinc/30/66/24/569306624.db2.gz IMOZUXZWXLFSSN-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN CN(C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCN2C ZINC000008800521 569476489 /nfs/dbraw/zinc/47/64/89/569476489.db2.gz BGMSKISCGJOSRM-GOSISDBHSA-N 0 1 428.385 3.567 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc2ccccc2[nH]1 ZINC000001156158 132237829 /nfs/dbraw/zinc/23/78/29/132237829.db2.gz QUIABJMHAMOHIV-GDNBJRDFSA-N 0 1 426.295 3.762 50 10 IHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C ZINC000009933396 132331897 /nfs/dbraw/zinc/33/18/97/132331897.db2.gz PAJZODMWYJWMJZ-DHDCSXOGSA-N 0 1 432.343 3.544 50 10 IHCAMN Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)cc2C)cc1 ZINC000000823283 555564584 /nfs/dbraw/zinc/56/45/84/555564584.db2.gz JODPOZDULJKWEB-UHFFFAOYSA-N 0 1 431.535 3.951 50 10 IHCAMN CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000004464421 556317161 /nfs/dbraw/zinc/31/71/61/556317161.db2.gz KGWVDCBGPRTVSM-ZHZULCJRSA-N 0 1 433.489 3.824 50 10 IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000032099544 556528776 /nfs/dbraw/zinc/52/87/76/556528776.db2.gz JGNFLSPIIMNAGC-STZFKDTASA-N 0 1 442.471 3.993 50 10 IHCAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccccc4SC)C3)CC2)cc1 ZINC000055168531 556736935 /nfs/dbraw/zinc/73/69/35/556736935.db2.gz DLKOAGDECNTGER-FQEVSTJZSA-N 0 1 425.598 3.844 50 10 IHCAMN O=C1CCCN1C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000057992851 556751216 /nfs/dbraw/zinc/75/12/16/556751216.db2.gz RSTWINWGIDQOEF-JOCHJYFZSA-N 0 1 447.501 3.995 50 10 IHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000059534698 556802265 /nfs/dbraw/zinc/80/22/65/556802265.db2.gz XIVFOQXHOHFRRE-DHDCSXOGSA-N 0 1 441.783 3.763 50 10 IHCAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000034222250 556805957 /nfs/dbraw/zinc/80/59/57/556805957.db2.gz VORJRBHBUNEJNF-WJDWOHSUSA-N 0 1 435.461 3.635 50 10 IHCAMN CCOc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000019877602 556936124 /nfs/dbraw/zinc/93/61/24/556936124.db2.gz JTDVUWAOPJLTMP-ZSOIEALJSA-N 0 1 434.876 3.718 50 10 IHCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000018045308 557234573 /nfs/dbraw/zinc/23/45/73/557234573.db2.gz TWGRPKZELCYRLM-XJUOHMSHSA-N 0 1 430.460 3.760 50 10 IHCAMN Cc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000006142915 562946285 /nfs/dbraw/zinc/94/62/85/562946285.db2.gz WCJGRXPTJBOBLZ-UHFFFAOYSA-N 0 1 430.485 3.859 50 10 IHCAMN Cc1cc(O)c(S(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001107132 568659394 /nfs/dbraw/zinc/65/93/94/568659394.db2.gz ANNQMGNJRUTFHZ-UHFFFAOYSA-N 0 1 437.926 3.988 50 10 IHCAMN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000001185506 568736157 /nfs/dbraw/zinc/73/61/57/568736157.db2.gz VXGLHIBDFVTZKN-UHFFFAOYSA-N 0 1 446.213 3.526 50 10 IHCAMN CC(=O)Nc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 ZINC000020235123 569357241 /nfs/dbraw/zinc/35/72/41/569357241.db2.gz WDRZYHRYSYVFFM-UHFFFAOYSA-N 0 1 446.463 3.577 50 10 IHCAMN CN(C)c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002394816 132253556 /nfs/dbraw/zinc/25/35/56/132253556.db2.gz OCJHOFYNPMUDTI-ZHZULCJRSA-N 0 1 434.496 3.514 50 10 IHCAMN COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022418608 524235663 /nfs/dbraw/zinc/23/56/63/524235663.db2.gz OBILHSGLPCEQQG-OAQYLSRUSA-N 0 1 445.995 3.525 50 10 IHCAMN O=C(c1ccncc1)N1CCN(Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000012865817 526850817 /nfs/dbraw/zinc/85/08/17/526850817.db2.gz XXHPDPMSQGHAFF-UHFFFAOYSA-N 0 1 426.314 3.661 50 10 IHCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)NC(=O)NC3=O)c1C)CCCC2 ZINC000001162114 555662301 /nfs/dbraw/zinc/66/23/01/555662301.db2.gz GSXNDIVWWUSWRK-UHFFFAOYSA-N 0 1 441.509 3.801 50 10 IHCAMN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000002878960 555853913 /nfs/dbraw/zinc/85/39/13/555853913.db2.gz UZOSWLSYFAVQSG-UHFFFAOYSA-N 0 1 431.535 3.951 50 10 IHCAMN O=C([C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCc2ccccc2C1 ZINC000004483014 555996919 /nfs/dbraw/zinc/99/69/19/555996919.db2.gz LNXNZWGBUXBMKJ-SFHVURJKSA-N 0 1 429.358 3.952 50 10 IHCAMN O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCc2ccccc2C1 ZINC000004483014 555996921 /nfs/dbraw/zinc/99/69/21/555996921.db2.gz LNXNZWGBUXBMKJ-SFHVURJKSA-N 0 1 429.358 3.952 50 10 IHCAMN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000008714012 556201481 /nfs/dbraw/zinc/20/14/81/556201481.db2.gz KVCDDOXQWQCMBL-YVLHZVERSA-N 0 1 443.506 3.839 50 10 IHCAMN O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)N1CCc2ccccc2C1 ZINC000009933459 556316831 /nfs/dbraw/zinc/31/68/31/556316831.db2.gz LNXNZWGBUXBMKJ-GOSISDBHSA-N 0 1 429.358 3.952 50 10 IHCAMN O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)N1CCc2ccccc2C1 ZINC000009933459 556316834 /nfs/dbraw/zinc/31/68/34/556316834.db2.gz LNXNZWGBUXBMKJ-GOSISDBHSA-N 0 1 429.358 3.952 50 10 IHCAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c([O-])ccc3cc(-c4ccccc4)c(=O)oc32)C1 ZINC000085387532 557346041 /nfs/dbraw/zinc/34/60/41/557346041.db2.gz VQRWNRTZFBOALJ-FXAWDEMLSA-N 0 1 440.499 3.947 50 10 IHCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)o1 ZINC000033458270 557399672 /nfs/dbraw/zinc/39/96/72/557399672.db2.gz ZATORVZHJQMVCG-PTNGSMBKSA-N 0 1 429.498 3.815 50 10 IHCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103884156 557442575 /nfs/dbraw/zinc/44/25/75/557442575.db2.gz XMHKKFWTNOYJCC-SXGWCWSVSA-N 0 1 446.217 3.984 50 10 IHCAMN O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000003865711 562939152 /nfs/dbraw/zinc/93/91/52/562939152.db2.gz XBNBVTBUUKASMK-CHHVJCJISA-N 0 1 449.897 3.794 50 10 IHCAMN CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000003865677 568754823 /nfs/dbraw/zinc/75/48/23/568754823.db2.gz NMJAPQXRTUCZBO-MFOYZWKCSA-N 0 1 443.506 3.703 50 10 IHCAMN Cc1cc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)ccc1F ZINC000008870467 569480640 /nfs/dbraw/zinc/48/06/40/569480640.db2.gz CYEZMRJXJIBTAM-UHFFFAOYSA-N 0 1 448.475 3.998 50 10 IHCAMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000009334798 569523205 /nfs/dbraw/zinc/52/32/05/569523205.db2.gz FNOYICKQCQKXFA-ODLFYWEKSA-N 0 1 448.395 3.509 50 10 IHCAMN Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019796635 569585031 /nfs/dbraw/zinc/58/50/31/569585031.db2.gz FRXHAOSCZOBFSG-LBPRGKRZSA-N 0 1 429.523 3.947 50 10 IHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OC)c1 ZINC000000664827 132228988 /nfs/dbraw/zinc/22/89/88/132228988.db2.gz RYQPHUOEZZAHEJ-CPNJWEJPSA-N 0 1 437.565 3.990 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000001158627 132237888 /nfs/dbraw/zinc/23/78/88/132237888.db2.gz ZYPHAZLVDBLXLV-NVNXTCNLSA-N 0 1 426.295 3.762 50 10 IHCAMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)NC1=S ZINC000008451797 132282326 /nfs/dbraw/zinc/28/23/26/132282326.db2.gz DHUBXWWPKWETJD-SFQUDFHCSA-N 0 1 437.908 3.976 50 10 IHCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009138462 132306623 /nfs/dbraw/zinc/30/66/23/132306623.db2.gz HOOWQSPWADVPBL-XMMPIXPASA-N 0 1 448.611 3.968 50 10 IHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(C)c(-c4ccc(OC)cc4OC)c(=O)oc32)CC1 ZINC000020611847 521686648 /nfs/dbraw/zinc/68/66/48/521686648.db2.gz GIJFJHHQGQGIRF-UHFFFAOYSA-N 0 1 438.524 3.629 50 10 biogenic IHCAMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000012363667 521763386 /nfs/dbraw/zinc/76/33/86/521763386.db2.gz NXSZQBCCGASVDI-HIXWQLQUSA-N 0 1 440.521 3.712 50 10 IHCAMN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+]3CCN(c4ccccn4)CC3)c2=O)cc1 ZINC000041585966 523158085 /nfs/dbraw/zinc/15/80/85/523158085.db2.gz DNUGJHWFBXFAQV-UHFFFAOYSA-N 0 1 443.503 3.891 50 10 biogenic IHCAMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000000664967 536825571 /nfs/dbraw/zinc/82/55/71/536825571.db2.gz MGTOKZFXZIFLND-CPNJWEJPSA-N 0 1 435.549 3.744 50 10 IHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000000706403 555544704 /nfs/dbraw/zinc/54/47/04/555544704.db2.gz KGUOQMOGTPCDGA-QFIPXVFZSA-N 0 1 437.496 3.633 50 10 IHCAMN COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1OC ZINC000013724790 556292396 /nfs/dbraw/zinc/29/23/96/556292396.db2.gz SZRFMHWZONDDFY-OAHLLOKOSA-N 0 1 438.480 3.888 50 10 IHCAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c([O-])ccc3cc(-c4ccccc4)c(=O)oc32)C1 ZINC000011865353 556664717 /nfs/dbraw/zinc/66/47/17/556664717.db2.gz VQRWNRTZFBOALJ-XLIONFOSSA-N 0 1 440.499 3.947 50 10 biogenic IHCAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000020100251 556979905 /nfs/dbraw/zinc/97/99/05/556979905.db2.gz QKQHAQZFVPLHSW-AWEZNQCLSA-N 0 1 428.739 3.712 50 10 IHCAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000020100251 556979909 /nfs/dbraw/zinc/97/99/09/556979909.db2.gz QKQHAQZFVPLHSW-AWEZNQCLSA-N 0 1 428.739 3.712 50 10 IHCAMN O=S(=O)([N-]c1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000097101471 556988377 /nfs/dbraw/zinc/98/83/77/556988377.db2.gz YZLREJNNNMYCTK-UHFFFAOYSA-N 0 1 437.565 3.614 50 10 IHCAMN O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000027530579 557263799 /nfs/dbraw/zinc/26/37/99/557263799.db2.gz VNUPVFQCXOYKLL-CXUHLZMHSA-N 0 1 447.469 3.670 50 10 IHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(OCC)c1 ZINC000016676109 557475230 /nfs/dbraw/zinc/47/52/30/557475230.db2.gz HFRWKWRVXDSSCW-LICLKQGHSA-N 0 1 430.913 3.969 50 10 IHCAMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000002776592 568789184 /nfs/dbraw/zinc/78/91/84/568789184.db2.gz NPWRQXNXQMUNJZ-UHFFFAOYSA-N 0 1 435.263 3.721 50 10 IHCAMN CCCOc1ccccc1/C=C1\C(=O)NN(c2ccc(I)cc2)C1=O ZINC000002069192 568941622 /nfs/dbraw/zinc/94/16/22/568941622.db2.gz VFXAKSVLWISALV-FOWTUZBSSA-N 0 1 448.260 3.541 50 10 IHCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964196 569491189 /nfs/dbraw/zinc/49/11/89/569491189.db2.gz JDYFVOLWVBDFKT-JOCHJYFZSA-N 0 1 440.975 3.533 50 10 IHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1C ZINC000000977380 132236481 /nfs/dbraw/zinc/23/64/81/132236481.db2.gz KQRYANHTOKMBJF-PXLXIMEGSA-N 0 1 444.560 3.991 50 10 IHCAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000001293588 132241393 /nfs/dbraw/zinc/24/13/93/132241393.db2.gz HRNALRBSTOSKMV-PDGQHHTCSA-N 0 1 427.501 3.923 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009165253 132307502 /nfs/dbraw/zinc/30/75/02/132307502.db2.gz WYSLUJGBYUTZPP-VWLOTQADSA-N 0 1 448.611 3.968 50 10 IHCAMN CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000022215994 523873694 /nfs/dbraw/zinc/87/36/94/523873694.db2.gz NMJAPQXRTUCZBO-RQZCQDPDSA-N 0 1 443.506 3.703 50 10 IHCAMN Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1 ZINC000008439284 556175563 /nfs/dbraw/zinc/17/55/63/556175563.db2.gz JETJFBNEWYCGPQ-UHFFFAOYSA-N 0 1 430.485 3.859 50 10 IHCAMN COC(=O)C=C1NN(c2ccccc2)C([O-])=C1C(C)=[NH+]CCc1c[nH]c2ccc(OC)cc12 ZINC000009356322 556285106 /nfs/dbraw/zinc/28/51/06/556285106.db2.gz LXOHTBZNQSLEBT-JLPGSUDCSA-N 0 1 446.507 3.549 50 10 IHCAMN CCCCOc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000016671917 556621976 /nfs/dbraw/zinc/62/19/76/556621976.db2.gz ICASZDXGWVMAIV-RGEXLXHISA-N 0 1 438.480 3.512 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000015856687 556985564 /nfs/dbraw/zinc/98/55/64/556985564.db2.gz FFFDRWQUKLURFB-DEDYPNTBSA-N 0 1 433.395 3.774 50 10 IHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/N1CCCc2ccccc21 ZINC000098086654 557123631 /nfs/dbraw/zinc/12/36/31/557123631.db2.gz LIGCQEOOEDMOAR-FOWTUZBSSA-N 0 1 442.338 3.534 50 10 IHCAMN COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000101065892 557221813 /nfs/dbraw/zinc/22/18/13/557221813.db2.gz SYPBHEQVTDEXFB-VWPQPMDRSA-N 0 1 434.423 3.591 50 10 IHCAMN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000217537358 568883244 /nfs/dbraw/zinc/88/32/44/568883244.db2.gz AIDOZOLLMZNRMH-PKOBYXMFSA-N 0 1 440.499 3.947 50 10 IHCAMN COc1ccc(N2CCN(C[C@H](O)COCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000017112908 569174122 /nfs/dbraw/zinc/17/41/22/569174122.db2.gz XJBBGUBDVLVFOW-QHCPKHFHSA-N 0 1 442.600 3.571 50 10 IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000002301855 569271553 /nfs/dbraw/zinc/27/15/53/569271553.db2.gz ZNGCSJFQNPTKRC-JWGURIENSA-N 0 1 444.487 3.923 50 10 IHCAMN CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)o3)N3CCCCC3)ccc21 ZINC000013007754 569306421 /nfs/dbraw/zinc/30/64/21/569306421.db2.gz LXUAZDHUHFKTON-SFHVURJKSA-N 0 1 432.362 3.991 50 10 IHCAMN COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c(O)c(-c4ccc(O)c(O)c4)coc-3c21 ZINC000096115675 569383335 /nfs/dbraw/zinc/38/33/35/569383335.db2.gz KOVAYCPGHJYPEG-CYBMUJFWSA-N 0 1 447.399 3.773 50 10 biogenic IHCAMN COC(=O)C[C@@H](c1ccc(O)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220997 569386720 /nfs/dbraw/zinc/38/67/20/569386720.db2.gz SPVFCMLMVCFANP-INIZCTEOSA-N 0 1 448.427 3.977 50 10 biogenic IHCAMN Cc1cc(C(=O)CN2CCC[C@@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057903285 569442654 /nfs/dbraw/zinc/44/26/54/569442654.db2.gz PCHGUAAORRZIEH-HXUWFJFHSA-N 0 1 443.594 3.823 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1C ZINC000009138449 132226993 /nfs/dbraw/zinc/22/69/93/132226993.db2.gz PTPLYYXMOWASLM-RUZDIDTESA-N 0 1 448.611 3.968 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1C ZINC000009138447 132227002 /nfs/dbraw/zinc/22/70/02/132227002.db2.gz PTPLYYXMOWASLM-VWLOTQADSA-N 0 1 448.611 3.968 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135517 132227393 /nfs/dbraw/zinc/22/73/93/132227393.db2.gz PUJGMNOSYXSTTA-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000000978867 132236539 /nfs/dbraw/zinc/23/65/39/132236539.db2.gz SDBVDVSOAGADHQ-MDWZMJQESA-N 0 1 437.702 3.639 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138108 132306633 /nfs/dbraw/zinc/30/66/33/132306633.db2.gz OODVGRIWABKVFG-RUZDIDTESA-N 0 1 448.611 3.968 50 10 IHCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(Br)c1 ZINC000009311691 132313489 /nfs/dbraw/zinc/31/34/89/132313489.db2.gz QNVOLGHVLMNLGQ-GHXNOFRVSA-N 0 1 437.702 3.639 50 10 IHCAMN CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccc(CC)cc3)C2=O)cc1OC ZINC000022170795 520589367 /nfs/dbraw/zinc/58/93/67/520589367.db2.gz RESWTZRQSHUOGY-YBEGLDIGSA-N 0 1 445.313 3.880 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000001203550 536597747 /nfs/dbraw/zinc/59/77/47/536597747.db2.gz PURAQOCDHFTPRJ-XNTDXEJSSA-N 0 1 431.311 3.597 50 10 IHCAMN COc1ccc(NC=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c(OC)c1 ZINC000009471612 536656159 /nfs/dbraw/zinc/65/61/59/536656159.db2.gz XJJOHXUPRLKFRK-LGMDPLHJSA-N 0 1 433.489 3.601 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000009919809 536696376 /nfs/dbraw/zinc/69/63/76/536696376.db2.gz OBDOQRFMDYBERU-UHFFFAOYSA-N 0 1 433.552 3.556 50 10 IHCAMN COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1Cn1cncn1 ZINC000014970017 556466748 /nfs/dbraw/zinc/46/67/48/556466748.db2.gz NZUDVECNDXWOPM-HNNXBMFYSA-N 0 1 438.482 3.958 50 10 IHCAMN COc1cc(N2CCCC2)ccc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000015013624 556484570 /nfs/dbraw/zinc/48/45/70/556484570.db2.gz MGTOKZFXZIFLND-UYRXBGFRSA-N 0 1 435.549 3.744 50 10 IHCAMN CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000017836098 557125323 /nfs/dbraw/zinc/12/53/23/557125323.db2.gz ALIZLAJBCPUITL-XSFVSMFZSA-N 0 1 430.505 3.575 50 10 IHCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100507522 557263088 /nfs/dbraw/zinc/26/30/88/557263088.db2.gz XMHKKFWTNOYJCC-CXUHLZMHSA-N 0 1 446.217 3.984 50 10 IHCAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000016676004 557475170 /nfs/dbraw/zinc/47/51/70/557475170.db2.gz YGFJPOFISRGDHF-LICLKQGHSA-N 0 1 429.929 3.723 50 10 IHCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000226919388 557811097 /nfs/dbraw/zinc/81/10/97/557811097.db2.gz TWGRPKZELCYRLM-QZNHQXDQSA-N 0 1 430.460 3.760 50 10 IHCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc(O)c1O ZINC000085878653 568838478 /nfs/dbraw/zinc/83/84/78/568838478.db2.gz YZWNQEVBNRWASD-UHFFFAOYSA-N 0 1 437.408 3.703 50 10 biogenic IHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000016678448 568937499 /nfs/dbraw/zinc/93/74/99/568937499.db2.gz OTAFQFAIFNNMFJ-PDGQHHTCSA-N 0 1 444.329 3.765 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 ZINC000022135403 521963491 /nfs/dbraw/zinc/96/34/91/521963491.db2.gz ZNGCSJFQNPTKRC-CJLVFECKSA-N 0 1 444.487 3.923 50 10 IHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000012364130 523409468 /nfs/dbraw/zinc/40/94/68/523409468.db2.gz PURAQOCDHFTPRJ-GDNBJRDFSA-N 0 1 431.311 3.597 50 10 IHCAMN C[C@@]1(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000012100278 525823413 /nfs/dbraw/zinc/82/34/13/525823413.db2.gz NOUOPLVNKAZHRZ-NRFANRHFSA-N 0 1 433.961 3.830 50 10 IHCAMN CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000008385680 556161442 /nfs/dbraw/zinc/16/14/42/556161442.db2.gz FXGNIEBTEYWTNL-UHFFFAOYSA-N 0 1 435.263 3.721 50 10 IHCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137803008 556698373 /nfs/dbraw/zinc/69/83/73/556698373.db2.gz SIFVCQCQAKWGQN-DNVJHFABSA-N 0 1 431.467 3.943 50 10 IHCAMN CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137803008 556698374 /nfs/dbraw/zinc/69/83/74/556698374.db2.gz SIFVCQCQAKWGQN-DNVJHFABSA-N 0 1 431.467 3.943 50 10 IHCAMN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccc(Br)nc1 ZINC000097143580 556992244 /nfs/dbraw/zinc/99/22/44/556992244.db2.gz RZLBPOCVRCWZOR-UHFFFAOYSA-N 0 1 430.268 3.989 50 10 IHCAMN COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc([N+](=O)[O-])c1O ZINC000100540952 557426076 /nfs/dbraw/zinc/42/60/76/557426076.db2.gz XAXYPCRUXJXEOY-VGOFMYFVSA-N 0 1 432.230 3.878 50 10 IHCAMN CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013008041 569306496 /nfs/dbraw/zinc/30/64/96/569306496.db2.gz XOOHYZFPMDINCR-DEOSSOPVSA-N 0 1 434.584 3.523 50 10 IHCAMN COc1ccc(N2CCN(C[C@H](O)COCCC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000020347344 569361027 /nfs/dbraw/zinc/36/10/27/569361027.db2.gz PDVKXDWGAREKBA-YXPXJKJVSA-N 0 1 428.617 3.801 50 10 IHCAMN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC=C2C(=O)NC(=O)NC2=O)cc1 ZINC000008824656 569477237 /nfs/dbraw/zinc/47/72/37/569477237.db2.gz AJVIKMNVHHFZTQ-UHFFFAOYSA-N 0 1 435.358 3.558 50 10 IHCAMN Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796636 569585047 /nfs/dbraw/zinc/58/50/47/569585047.db2.gz FRXHAOSCZOBFSG-GFCCVEGCSA-N 0 1 429.523 3.947 50 10 IHCAMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000001203536 132239666 /nfs/dbraw/zinc/23/96/66/132239666.db2.gz HIPUDYGQZZZNGL-MHWRWJLKSA-N 0 1 431.311 3.679 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135655 132306445 /nfs/dbraw/zinc/30/64/45/132306445.db2.gz CHJBBKNZEBCEGR-XMMPIXPASA-N 0 1 434.584 3.523 50 10 IHCAMN CC(C)c1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 ZINC000009359425 132314394 /nfs/dbraw/zinc/31/43/94/132314394.db2.gz NZWUEDHKKPCORM-QNGOZBTKSA-N 0 1 435.549 3.889 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000001133985 524383058 /nfs/dbraw/zinc/38/30/58/524383058.db2.gz GFAYHUIHGUFJGD-SFQUDFHCSA-N 0 1 434.473 3.795 50 10 IHCAMN O=C(C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)N1CCN(c2ccccc2F)CC1 ZINC000012631151 526303264 /nfs/dbraw/zinc/30/32/64/526303264.db2.gz XHPPMHSOJRFBLL-UHFFFAOYSA-N 0 1 431.939 3.746 50 10 IHCAMN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000020761095 527487742 /nfs/dbraw/zinc/48/77/42/527487742.db2.gz AIDOZOLLMZNRMH-MJGOQNOKSA-N 0 1 440.499 3.947 50 10 biogenic IHCAMN CCc1cc2c(C)cc(=O)oc2c(CN(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000032899864 556531696 /nfs/dbraw/zinc/53/16/96/556531696.db2.gz PXOGUDACMFYYRA-LJQANCHMSA-N 0 1 441.549 3.559 50 10 IHCAMN CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000017057558 556654737 /nfs/dbraw/zinc/65/47/37/556654737.db2.gz VMQHBHMEIVDYBP-NBVRZTHBSA-N 0 1 435.480 3.901 50 10 IHCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100507526 557411739 /nfs/dbraw/zinc/41/17/39/557411739.db2.gz SVPLPOFICXSJLB-NTEUORMPSA-N 0 1 446.217 3.984 50 10 IHCAMN COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c(C)c2C)cc1 ZINC000003620772 562936873 /nfs/dbraw/zinc/93/68/73/562936873.db2.gz OWLFUCOEVUSDEJ-UHFFFAOYSA-N 0 1 447.534 3.651 50 10 IHCAMN Cc1c(C)c2cc(Cl)c([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2oc1=O ZINC000524730519 568904198 /nfs/dbraw/zinc/90/41/98/568904198.db2.gz LNTKCLKRFQQGDY-CABCVRRESA-N 0 1 426.900 3.550 50 10 biogenic IHCAMN COCC[NH+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731628 569126669 /nfs/dbraw/zinc/12/66/69/569126669.db2.gz FJEZVXIIWNTRHV-FDDCHVKYSA-N 0 1 440.584 3.700 50 10 biogenic IHCAMN COCC[NH+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731628 569126670 /nfs/dbraw/zinc/12/66/70/569126670.db2.gz FJEZVXIIWNTRHV-FDDCHVKYSA-N 0 1 440.584 3.700 50 10 biogenic IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C ZINC000013008119 569306557 /nfs/dbraw/zinc/30/65/57/569306557.db2.gz IMOZUXZWXLFSSN-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000095397408 569363645 /nfs/dbraw/zinc/36/36/45/569363645.db2.gz XODBRFGDYHISBB-QGZVFWFLSA-N 0 1 435.572 3.549 50 10 IHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCCC4)C3=O)o2)cc1 ZINC000096234408 569387816 /nfs/dbraw/zinc/38/78/16/569387816.db2.gz GYBZDJLGGLXFGX-XMHGGMMESA-N 0 1 436.464 3.918 50 10 IHCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000008799085 569476482 /nfs/dbraw/zinc/47/64/82/569476482.db2.gz HHCUPPSOKJSMIL-JOCHJYFZSA-N 0 1 443.613 3.501 50 10 IHCAMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)C(=O)NC1=S ZINC000001204404 132239663 /nfs/dbraw/zinc/23/96/63/132239663.db2.gz RVTVQLLZGCIFNC-DEDYPNTBSA-N 0 1 430.533 3.883 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c(C)c1 ZINC000009165233 132307454 /nfs/dbraw/zinc/30/74/54/132307454.db2.gz XCEHUJCQZAUTEO-RUZDIDTESA-N 0 1 448.611 3.968 50 10 IHCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 ZINC000008443150 556178052 /nfs/dbraw/zinc/17/80/52/556178052.db2.gz JCLZLCWJPWYQQZ-AQTBWJFISA-N 0 1 448.500 4.000 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000013899464 556330931 /nfs/dbraw/zinc/33/09/31/556330931.db2.gz FFFDRWQUKLURFB-MOSHPQCFSA-N 0 1 433.395 3.774 50 10 IHCAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330762 556339388 /nfs/dbraw/zinc/33/93/88/556339388.db2.gz KKDJQDCZGGYZTI-OAQYLSRUSA-N 0 1 428.964 3.606 50 10 IHCAMN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000017373741 556676947 /nfs/dbraw/zinc/67/69/47/556676947.db2.gz KVCDDOXQWQCMBL-LICLKQGHSA-N 0 1 443.506 3.839 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOCCOc2ccccc2)cc1 ZINC000022184909 556849312 /nfs/dbraw/zinc/84/93/12/556849312.db2.gz GONGUHMZSFUCMX-LYBHJNIJSA-N 0 1 444.487 3.622 50 10 IHCAMN C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000020100254 556979996 /nfs/dbraw/zinc/97/99/96/556979996.db2.gz QKQHAQZFVPLHSW-CQSZACIVSA-N 0 1 428.739 3.712 50 10 IHCAMN C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000020100254 556979999 /nfs/dbraw/zinc/97/99/99/556979999.db2.gz QKQHAQZFVPLHSW-CQSZACIVSA-N 0 1 428.739 3.712 50 10 IHCAMN COC(=O)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCN(c3ccccc3)CC2)cc1 ZINC000025702024 557222660 /nfs/dbraw/zinc/22/26/60/557222660.db2.gz SFBPFLBMORZMIT-VWLOTQADSA-N 0 1 446.503 3.819 50 10 IHCAMN CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)cc1 ZINC000101124749 557261185 /nfs/dbraw/zinc/26/11/85/557261185.db2.gz RNYIDLLFYDCWRP-RCCKNPSSSA-N 0 1 426.542 3.744 50 10 IHCAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346768 557279753 /nfs/dbraw/zinc/27/97/53/557279753.db2.gz PZFXJPIPYGYKDN-UVTDQMKNSA-N 0 1 448.220 3.918 50 10 IHCAMN Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 ZINC000013008089 569306413 /nfs/dbraw/zinc/30/64/13/569306413.db2.gz MDQFDWSGDAMWOO-XMMPIXPASA-N 0 1 448.611 3.886 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013008133 569306542 /nfs/dbraw/zinc/30/65/42/569306542.db2.gz MIYIRZUCNWMSFH-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN [O-]c1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCN(CCO)CC2)ccc2cccnc12 ZINC000019789787 569329287 /nfs/dbraw/zinc/32/92/87/569329287.db2.gz GFRXMINJBHBBBN-NRFANRHFSA-N 0 1 431.458 3.659 50 10 IHCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000096115800 569383513 /nfs/dbraw/zinc/38/35/13/569383513.db2.gz VYPGEEBTYHQYIS-AWEZNQCLSA-N 0 1 432.384 3.723 50 10 biogenic IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1OC ZINC000096247946 569387985 /nfs/dbraw/zinc/38/79/85/569387985.db2.gz VOSHGAJFOXEHIZ-LHHJGKSTSA-N 0 1 437.304 3.842 50 10 IHCAMN COc1ccc2cc(-c3c4cn[nH]c4nc4c5ccc(O)c(O)c5oc43)c(=O)n(C)c2c1 ZINC000217818497 569453608 /nfs/dbraw/zinc/45/36/08/569453608.db2.gz FZFYRMLVOLCQMH-UHFFFAOYSA-N 0 1 428.404 3.796 50 10 biogenic IHCAMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 ZINC000004083454 569458704 /nfs/dbraw/zinc/45/87/04/569458704.db2.gz MZRDGNYSULUQCD-HYARGMPZSA-N 0 1 429.476 3.765 50 10 IHCAMN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008964207 569491163 /nfs/dbraw/zinc/49/11/63/569491163.db2.gz XZPWBLLCQNDOLW-DEOSSOPVSA-N 0 1 434.584 3.694 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1 ZINC000009309910 569521719 /nfs/dbraw/zinc/52/17/19/569521719.db2.gz UOEUIVIUCKWHBI-PGMHBOJBSA-N 0 1 445.431 3.514 50 10 IHCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001197903 132239283 /nfs/dbraw/zinc/23/92/83/132239283.db2.gz ANUKKSKAGYSWHO-KPKJPENVSA-N 0 1 437.702 3.639 50 10 IHCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000001203400 132239686 /nfs/dbraw/zinc/23/96/86/132239686.db2.gz ZMVWGWXNEQETNF-LFIBNONCSA-N 0 1 444.354 3.655 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138098 132306640 /nfs/dbraw/zinc/30/66/40/132306640.db2.gz KTPOWKPZOAPECZ-DEOSSOPVSA-N 0 1 434.584 3.659 50 10 IHCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000009245171 132310416 /nfs/dbraw/zinc/31/04/16/132310416.db2.gz QUDGJZBGZNRWDW-ODLFYWEKSA-N 0 1 434.496 3.768 50 10 IHCAMN C[C@@H]1CCCN(c2cc(NCCN(C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641222 132324413 /nfs/dbraw/zinc/32/44/13/132324413.db2.gz ATLOQSNQWJCKSL-MRXNPFEDSA-N 0 1 434.540 3.612 50 10 IHCAMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000034877360 527532792 /nfs/dbraw/zinc/53/27/92/527532792.db2.gz FNOYICKQCQKXFA-YBFXNURJSA-N 0 1 448.395 3.509 50 10 IHCAMN COc1cccc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000013799989 556310128 /nfs/dbraw/zinc/31/01/28/556310128.db2.gz OFKNBQOSENXWLJ-JWGURIENSA-N 0 1 430.460 3.614 50 10 IHCAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccc(OC)cc3O)C2)cc1 ZINC000014889412 556456210 /nfs/dbraw/zinc/45/62/10/556456210.db2.gz CJOGJNJZAIWQGI-RTWAWAEBSA-N 0 1 430.570 3.669 50 10 IHCAMN CCn1cc(C=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 ZINC000017198271 557040257 /nfs/dbraw/zinc/04/02/57/557040257.db2.gz QVPJOOWSRRTJKM-XMHGGMMESA-N 0 1 447.491 3.587 50 10 IHCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 ZINC000013940359 569321716 /nfs/dbraw/zinc/32/17/16/569321716.db2.gz UNCYPDLXOOPYAZ-ZHZULCJRSA-N 0 1 444.443 3.785 50 10 IHCAMN O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820302 569477125 /nfs/dbraw/zinc/47/71/25/569477125.db2.gz MPJPPNVVVFFJMR-XNTDXEJSSA-N 0 1 433.467 3.514 50 10 IHCAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964164 569491131 /nfs/dbraw/zinc/49/11/31/569491131.db2.gz UJPKYZRYAINMCT-JOCHJYFZSA-N 0 1 440.975 3.533 50 10 IHCAMN Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008964195 569491167 /nfs/dbraw/zinc/49/11/67/569491167.db2.gz JDYFVOLWVBDFKT-QFIPXVFZSA-N 0 1 440.975 3.533 50 10 IHCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1cccc2ccccc21 ZINC000009136053 569507071 /nfs/dbraw/zinc/50/70/71/569507071.db2.gz NIPISIWQTTWNII-HYARGMPZSA-N 0 1 425.444 3.945 50 10 IHCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000009135715 132306373 /nfs/dbraw/zinc/30/63/73/132306373.db2.gz ISUWZQHOERDYFG-HSZRJFAPSA-N 0 1 434.584 3.578 50 10 IHCAMN COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C ZINC000009260301 132311550 /nfs/dbraw/zinc/31/15/50/132311550.db2.gz QTARTDYWWBHVKC-WJDWOHSUSA-N 0 1 430.913 3.967 50 10 IHCAMN CCOc1cc(Cl)c(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000009933808 132332064 /nfs/dbraw/zinc/33/20/64/132332064.db2.gz PDINILSEEMVMFM-DHDCSXOGSA-N 0 1 446.912 3.587 50 10 IHCAMN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)N2CCN(C)CC2)cc1 ZINC000022589311 522242909 /nfs/dbraw/zinc/24/29/09/522242909.db2.gz DQTVRPIEYHHIOT-AREMUKBSSA-N 0 1 430.596 3.553 50 10 IHCAMN COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 ZINC000022418610 524236031 /nfs/dbraw/zinc/23/60/31/524236031.db2.gz OBILHSGLPCEQQG-NRFANRHFSA-N 0 1 445.995 3.525 50 10 IHCAMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cccc1OC ZINC000009260271 535615192 /nfs/dbraw/zinc/61/51/92/535615192.db2.gz RGJFBILKNTWCKY-VVBXCHJUSA-N 0 1 428.485 3.843 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000002959303 536598215 /nfs/dbraw/zinc/59/82/15/536598215.db2.gz XHFOTCDDXSMPCB-KPKJPENVSA-N 0 1 437.304 3.842 50 10 IHCAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccccc4SC)C3)CC2)cc1 ZINC000055168529 556737019 /nfs/dbraw/zinc/73/70/19/556737019.db2.gz DLKOAGDECNTGER-HXUWFJFHSA-N 0 1 425.598 3.844 50 10 IHCAMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)N1CCCCC1 ZINC000033305849 557084238 /nfs/dbraw/zinc/08/42/38/557084238.db2.gz MWZXTBXUHITVBH-XSFVSMFZSA-N 0 1 448.523 3.899 50 10 IHCAMN O=c1cc(-c2ccccc2)c2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2o1 ZINC000409413061 557109481 /nfs/dbraw/zinc/10/94/81/557109481.db2.gz ARLDVUFLHIJXHG-MJGOQNOKSA-N 0 1 440.499 3.947 50 10 biogenic IHCAMN O=C1NC(=O)C(=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)C(=O)N1 ZINC000016267137 557154439 /nfs/dbraw/zinc/15/44/39/557154439.db2.gz CZKYVOXCZLAUPA-QHCPKHFHSA-N 0 1 436.471 3.792 50 10 IHCAMN CCN(CC)c1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000000823652 557269172 /nfs/dbraw/zinc/26/91/72/557269172.db2.gz VZQHLKNBBPBYGE-HNNXBMFYSA-N 0 1 435.393 3.902 50 10 IHCAMN Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)ccc1Br ZINC000015822421 568839872 /nfs/dbraw/zinc/83/98/72/568839872.db2.gz JFSLCULTHOGFDN-GHXNOFRVSA-N 0 1 435.661 3.783 50 10 IHCAMN CC(C)(C)c1ccc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc1 ZINC000008986444 569174725 /nfs/dbraw/zinc/17/47/25/569174725.db2.gz RCYWHTVWSYOLFQ-UHFFFAOYSA-N 0 1 431.492 3.767 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@@H]3C)C(=O)NC2=S)cc1 ZINC000096246895 569387976 /nfs/dbraw/zinc/38/79/76/569387976.db2.gz ZIHZDQGNUVSGTD-QIQQCEGHSA-N 0 1 439.512 3.697 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000009310738 569521754 /nfs/dbraw/zinc/52/17/54/569521754.db2.gz OQSBPJYHHGRUTH-KJCUYJGMSA-N 0 1 441.944 3.510 50 10 IHCAMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000000660588 132228752 /nfs/dbraw/zinc/22/87/52/132228752.db2.gz NXSZQBCCGASVDI-QCUKBLKESA-N 0 1 440.521 3.712 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc2ccccc2[nH]1 ZINC000001156157 132237899 /nfs/dbraw/zinc/23/78/99/132237899.db2.gz QUIABJMHAMOHIV-XNTDXEJSSA-N 0 1 426.295 3.762 50 10 IHCAMN Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009138459 132306650 /nfs/dbraw/zinc/30/66/50/132306650.db2.gz HOOWQSPWADVPBL-DEOSSOPVSA-N 0 1 448.611 3.968 50 10 IHCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000009934785 132332172 /nfs/dbraw/zinc/33/21/72/132332172.db2.gz REKWTTYXARWXKF-JXMROGBWSA-N 0 1 437.702 3.639 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000013569466 132350566 /nfs/dbraw/zinc/35/05/66/132350566.db2.gz ALKVRCKEITYWGW-VXLYETTFSA-N 0 1 436.924 3.974 50 10 IHCAMN CN1CCN([C@@H](CNC(=O)c2c(F)cccc2Cl)c2ccc3c(c2)CCCN3C)CC1 ZINC000022734771 523918449 /nfs/dbraw/zinc/91/84/49/523918449.db2.gz GDAGRKVQEZVRBN-QFIPXVFZSA-N 0 1 444.982 3.580 50 10 IHCAMN O=C(CN1CCN(Cc2cc3c(cc2O)CCC3)CC1)Nc1ccccc1C(F)(F)F ZINC000022384852 526773424 /nfs/dbraw/zinc/77/34/24/526773424.db2.gz ACSBWAZKYIQVIV-UHFFFAOYSA-N 0 1 433.474 3.656 50 10 IHCAMN O=C(CN1CCN(Cc2c(O)ccc3ccncc32)CC1)Nc1ccccc1C(F)(F)F ZINC000022789993 526773515 /nfs/dbraw/zinc/77/35/15/526773515.db2.gz FQUSRPXBTDQOKE-UHFFFAOYSA-N 0 1 444.457 3.716 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000002915500 536598239 /nfs/dbraw/zinc/59/82/39/536598239.db2.gz HHQNBQPDDXXVLO-KPKJPENVSA-N 0 1 437.304 3.842 50 10 IHCAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000000706404 555544746 /nfs/dbraw/zinc/54/47/46/555544746.db2.gz KGUOQMOGTPCDGA-JOCHJYFZSA-N 0 1 437.496 3.633 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1Cl ZINC000004330800 556339412 /nfs/dbraw/zinc/33/94/12/556339412.db2.gz WDDKCPJQIKMDII-OAQYLSRUSA-N 0 1 428.964 3.606 50 10 IHCAMN O=C1C[C@@H](N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 ZINC000100849233 557277218 /nfs/dbraw/zinc/27/72/18/557277218.db2.gz CTFQRIJYJLCGSB-CCAPLTMGSA-N 0 1 428.922 3.873 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)C(=O)N1c1ccccc1 ZINC000100849233 557277224 /nfs/dbraw/zinc/27/72/24/557277224.db2.gz CTFQRIJYJLCGSB-CCAPLTMGSA-N 0 1 428.922 3.873 50 10 IHCAMN Cc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000015799403 568839381 /nfs/dbraw/zinc/83/93/81/568839381.db2.gz DBDLESGNQDBTMJ-WSDLNYQXSA-N 0 1 427.460 3.770 50 10 IHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1 ZINC000016676181 568937252 /nfs/dbraw/zinc/93/72/52/568937252.db2.gz HKMBHPJHKJHZMN-GZTJUZNOSA-N 0 1 430.913 3.969 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013008131 569306586 /nfs/dbraw/zinc/30/65/86/569306586.db2.gz MIYIRZUCNWMSFH-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN COC(=O)C[C@H](c1cccnc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221963 569387101 /nfs/dbraw/zinc/38/71/01/569387101.db2.gz AJDXOMLYBNYLHQ-OAHLLOKOSA-N 0 1 433.416 3.667 50 10 biogenic IHCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000008801613 569476452 /nfs/dbraw/zinc/47/64/52/569476452.db2.gz DUMKHFDUTSPFMO-JOCHJYFZSA-N 0 1 443.613 3.501 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1Cl ZINC000008964192 569491165 /nfs/dbraw/zinc/49/11/65/569491165.db2.gz RLMBWURXWJSWOF-JOCHJYFZSA-N 0 1 440.975 3.533 50 10 IHCAMN CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000008994782 569495534 /nfs/dbraw/zinc/49/55/34/569495534.db2.gz HSNOVMAHPGXBFJ-GZTJUZNOSA-N 0 1 435.411 3.986 50 10 IHCAMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000000677840 132229221 /nfs/dbraw/zinc/22/92/21/132229221.db2.gz KVAWEDKUAVKZKY-CPNJWEJPSA-N 0 1 446.484 3.873 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138381 132306602 /nfs/dbraw/zinc/30/66/02/132306602.db2.gz JZQLVVUTLAKJMC-VWLOTQADSA-N 0 1 448.611 3.913 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000009290660 132312733 /nfs/dbraw/zinc/31/27/33/132312733.db2.gz GTVNQWLZJBPQPX-UNOMPAQXSA-N 0 1 437.952 3.870 50 10 IHCAMN CCn1c2ccccc2c2nnc(NCCCN3CCN(c4ccc(OC)cc4)CC3)nc21 ZINC000009405484 132314960 /nfs/dbraw/zinc/31/49/60/132314960.db2.gz GHTPFVSVYKKBQU-UHFFFAOYSA-N 0 1 445.571 3.632 50 10 IHCAMN C[C@H]1C[C@H](C)CN(c2cc(NCCN(C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641437 132324356 /nfs/dbraw/zinc/32/43/56/132324356.db2.gz STRQQDBSPDDDDU-IRXDYDNUSA-N 0 1 448.567 3.858 50 10 IHCAMN COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 ZINC000011121348 132337442 /nfs/dbraw/zinc/33/74/42/132337442.db2.gz ALZRTSJQXIGCEH-UHFFFAOYSA-N 0 1 443.960 3.575 50 10 IHCAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000001131623 521033839 /nfs/dbraw/zinc/03/38/39/521033839.db2.gz IZHGERQOEQNNMD-QGOAFFKASA-N 0 1 439.512 3.656 50 10 IHCAMN CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000009311450 535485321 /nfs/dbraw/zinc/48/53/21/535485321.db2.gz LRXKYRJXGNXOIG-PTNGSMBKSA-N 0 1 431.311 3.679 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1 ZINC000001176742 536597645 /nfs/dbraw/zinc/59/76/45/536597645.db2.gz GKLHSUMCJOYSDA-XYOKQWHBSA-N 0 1 437.304 3.842 50 10 IHCAMN Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)cc1Cl ZINC000000649849 555522496 /nfs/dbraw/zinc/52/24/96/555522496.db2.gz KEABDKRVVAAOPB-RIYZIHGNSA-N 0 1 434.721 3.938 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000009311807 556279982 /nfs/dbraw/zinc/27/99/82/556279982.db2.gz NTJAFEFKGBVVJS-FYJGNVAPSA-N 0 1 447.466 3.904 50 10 IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F ZINC000013943072 556340703 /nfs/dbraw/zinc/34/07/03/556340703.db2.gz RYCRRSDDWSXYID-NTEUORMPSA-N 0 1 440.818 3.531 50 10 IHCAMN CCc1cc2c(C)cc(=O)oc2c(CN(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000032899865 556531651 /nfs/dbraw/zinc/53/16/51/556531651.db2.gz PXOGUDACMFYYRA-IBGZPJMESA-N 0 1 441.549 3.559 50 10 IHCAMN COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1 ZINC000015680557 556543036 /nfs/dbraw/zinc/54/30/36/556543036.db2.gz BJDCMFKFQFVDHM-UHFFFAOYSA-N 0 1 441.329 3.810 50 10 IHCAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000017858195 557126623 /nfs/dbraw/zinc/12/66/23/557126623.db2.gz LXPXVPZNTKCSBO-XJUOHMSHSA-N 0 1 430.460 3.760 50 10 IHCAMN COCC[NH+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729131 568903550 /nfs/dbraw/zinc/90/35/50/568903550.db2.gz FGBIXBWMQSNIMN-SIKLNZKXSA-N 0 1 428.573 3.828 50 10 biogenic IHCAMN COCC[N@@H+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729131 568903551 /nfs/dbraw/zinc/90/35/51/568903551.db2.gz FGBIXBWMQSNIMN-SIKLNZKXSA-N 0 1 428.573 3.828 50 10 biogenic IHCAMN CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c1C(=O)c1ccccc1C2=O ZINC000027473908 569213965 /nfs/dbraw/zinc/21/39/65/569213965.db2.gz CIXUZWMOGXCVTI-UHFFFAOYSA-N 0 1 448.500 3.554 50 10 IHCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000002462494 569316252 /nfs/dbraw/zinc/31/62/52/569316252.db2.gz ICPAMHNEWRESJI-PKTZIBPZSA-N 0 1 443.478 3.953 50 10 IHCAMN COC(=O)C[C@@H](c1cccc(O)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096221899 569387021 /nfs/dbraw/zinc/38/70/21/569387021.db2.gz CUUHNHMOQUIBCP-INIZCTEOSA-N 0 1 448.427 3.977 50 10 biogenic IHCAMN CN(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000096295542 569391940 /nfs/dbraw/zinc/39/19/40/569391940.db2.gz SIFVCQCQAKWGQN-ZRBLBEILSA-N 0 1 431.467 3.943 50 10 IHCAMN CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000096295542 569391942 /nfs/dbraw/zinc/39/19/42/569391942.db2.gz SIFVCQCQAKWGQN-ZRBLBEILSA-N 0 1 431.467 3.943 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138105 132306694 /nfs/dbraw/zinc/30/66/94/132306694.db2.gz OODVGRIWABKVFG-VWLOTQADSA-N 0 1 448.611 3.968 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000009264474 132311752 /nfs/dbraw/zinc/31/17/52/132311752.db2.gz ZTRXIONHXTWHSY-DEDYPNTBSA-N 0 1 431.517 3.939 50 10 IHCAMN Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000004330754 556339523 /nfs/dbraw/zinc/33/95/23/556339523.db2.gz KKDJQDCZGGYZTI-NRFANRHFSA-N 0 1 428.964 3.606 50 10 IHCAMN O=C1C[C@@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 ZINC000100972127 557209232 /nfs/dbraw/zinc/20/92/32/557209232.db2.gz GZWFLTWADOSEAQ-RMFUMNGISA-N 0 1 433.514 3.701 50 10 IHCAMN O=C1CC(N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccccc1 ZINC000100972127 557209234 /nfs/dbraw/zinc/20/92/34/557209234.db2.gz GZWFLTWADOSEAQ-RMFUMNGISA-N 0 1 433.514 3.701 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 ZINC000018190245 557246388 /nfs/dbraw/zinc/24/63/88/557246388.db2.gz JAWGZJBPLOWRQZ-MOSHPQCFSA-N 0 1 446.532 3.637 50 10 IHCAMN CCN(CC)c1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OCC(F)(F)C(F)(F)F)cc1 ZINC000000823653 557269201 /nfs/dbraw/zinc/26/92/01/557269201.db2.gz VZQHLKNBBPBYGE-OAHLLOKOSA-N 0 1 435.393 3.902 50 10 IHCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101350283 557279869 /nfs/dbraw/zinc/27/98/69/557279869.db2.gz SVPLPOFICXSJLB-ZROIWOOFSA-N 0 1 446.217 3.984 50 10 IHCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)C ZINC000010060002 569152331 /nfs/dbraw/zinc/15/23/31/569152331.db2.gz FBRHJWLBNNEGNP-OQLLNIDSSA-N 0 1 431.286 3.706 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000038178502 569462244 /nfs/dbraw/zinc/46/22/44/569462244.db2.gz OQSBPJYHHGRUTH-MTMYEVCSSA-N 0 1 441.944 3.939 50 10 IHCAMN CCN(CC)c1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009355102 569525144 /nfs/dbraw/zinc/52/51/44/569525144.db2.gz OJUQZSJNNOFWFB-QGOAFFKASA-N 0 1 428.945 3.930 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1C ZINC000009135760 132227615 /nfs/dbraw/zinc/22/76/15/132227615.db2.gz PHGHRISWRRBOJY-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Br ZINC000009260279 132311539 /nfs/dbraw/zinc/31/15/39/132311539.db2.gz XYIHHHJUQHGYRY-RIYZIHGNSA-N 0 1 449.301 3.818 50 10 IHCAMN C[C@@H]1C[C@H](C)CN(c2cc(NCCN(C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641433 132324396 /nfs/dbraw/zinc/32/43/96/132324396.db2.gz STRQQDBSPDDDDU-CALCHBBNSA-N 0 1 448.567 3.858 50 10 IHCAMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000020608685 520879437 /nfs/dbraw/zinc/87/94/37/520879437.db2.gz UQDIXWYPJYASON-PTNGSMBKSA-N 0 1 448.342 3.720 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000012553862 524422749 /nfs/dbraw/zinc/42/27/49/524422749.db2.gz CEQWSHYCCHYBEO-UHFFFAOYSA-N 0 1 436.383 3.873 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)c1 ZINC000002920215 536597865 /nfs/dbraw/zinc/59/78/65/536597865.db2.gz XHNKCFUYMWLRBF-MHWRWJLKSA-N 0 1 445.338 3.906 50 10 IHCAMN COc1ccc2ccc(OC)c(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2c1 ZINC000002264070 537040187 /nfs/dbraw/zinc/04/01/87/537040187.db2.gz PKSNAQFYEWHQDA-UNOMPAQXSA-N 0 1 436.464 3.827 50 10 IHCAMN CCOc1c(Br)cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000015659806 556541638 /nfs/dbraw/zinc/54/16/38/556541638.db2.gz TUDHYRWWVYYZJA-SXGWCWSVSA-N 0 1 445.313 3.935 50 10 IHCAMN COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000036160078 556594336 /nfs/dbraw/zinc/59/43/36/556594336.db2.gz WMNSTOBMTAINDE-DHDCSXOGSA-N 0 1 446.462 3.501 50 10 IHCAMN COc1ccc2[nH]cc(C=C3C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)c2c1 ZINC000013571287 556698858 /nfs/dbraw/zinc/69/88/58/556698858.db2.gz YHYRFZAOZSIUKS-WOJGMQOQSA-N 0 1 449.463 3.739 50 10 biogenic IHCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1F ZINC000033334165 557117558 /nfs/dbraw/zinc/11/75/58/557117558.db2.gz UHHVSPAKYQQAPS-UNOMPAQXSA-N 0 1 448.450 3.883 50 10 IHCAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 ZINC000032099436 568780625 /nfs/dbraw/zinc/78/06/25/568780625.db2.gz BTVVWZDABQZOMT-JWGURIENSA-N 0 1 442.471 3.904 50 10 IHCAMN O=C(c1ccco1)c1coc2ccc([O-])c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225424670 569299909 /nfs/dbraw/zinc/29/99/09/569299909.db2.gz RPYTXNJABMZOIK-CVEARBPZSA-N 0 1 430.460 3.743 50 10 biogenic IHCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007003493 132280208 /nfs/dbraw/zinc/28/02/08/132280208.db2.gz DFANYDMHINKHLW-PTNGSMBKSA-N 0 1 437.408 3.825 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138069 132306677 /nfs/dbraw/zinc/30/66/77/132306677.db2.gz WUTRWXIQSVTLDK-DEOSSOPVSA-N 0 1 434.584 3.659 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000009908221 132331574 /nfs/dbraw/zinc/33/15/74/132331574.db2.gz LBDZWEMCIMQNCI-DEDYPNTBSA-N 0 1 430.533 3.937 50 10 IHCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000009135513 536397298 /nfs/dbraw/zinc/39/72/98/536397298.db2.gz XEVMRLABVBANQO-QFIPXVFZSA-N 0 1 440.975 3.614 50 10 IHCAMN COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)c(OC)c1OC ZINC000013724786 556292455 /nfs/dbraw/zinc/29/24/55/556292455.db2.gz SZRFMHWZONDDFY-HNNXBMFYSA-N 0 1 438.480 3.888 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(C)nc4c(C)cccc34)CC2)cc1 ZINC000033252843 556893540 /nfs/dbraw/zinc/89/35/40/556893540.db2.gz FMWRTFSEBYZAPE-UHFFFAOYSA-N 0 1 432.568 3.802 50 10 IHCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1O ZINC000001198130 557120047 /nfs/dbraw/zinc/12/00/47/557120047.db2.gz ACGPFQQFFICSCD-NTUHNPAUSA-N 0 1 437.702 3.639 50 10 IHCAMN COc1cccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1O ZINC000020274551 557519461 /nfs/dbraw/zinc/51/94/61/557519461.db2.gz YEVPOSTVTVCJAS-JYRVWZFOSA-N 0 1 433.283 3.835 50 10 IHCAMN COC(=O)C[C@@H](c1ccncc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222353 569387146 /nfs/dbraw/zinc/38/71/46/569387146.db2.gz RPQTXTAZFYLFQO-HNNXBMFYSA-N 0 1 433.416 3.667 50 10 biogenic IHCAMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)NC2=S)cc1 ZINC000008454154 132282378 /nfs/dbraw/zinc/28/23/78/132282378.db2.gz BWUUWGPALHMAJS-FYJGNVAPSA-N 0 1 430.533 3.883 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 ZINC000009138101 132306595 /nfs/dbraw/zinc/30/65/95/132306595.db2.gz KTPOWKPZOAPECZ-XMMPIXPASA-N 0 1 434.584 3.659 50 10 IHCAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21 ZINC000009459759 132318142 /nfs/dbraw/zinc/31/81/42/132318142.db2.gz VKCZNIWYERQBEG-GZTJUZNOSA-N 0 1 435.505 3.510 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3)C(=O)NC2=S)c(OC)c1 ZINC000001127264 524382959 /nfs/dbraw/zinc/38/29/59/524382959.db2.gz NVFLNMWZDROVTE-CPNJWEJPSA-N 0 1 447.516 3.634 50 10 IHCAMN Cn1c(=O)cc2c3c1ccc(NS(=O)(=O)c1ccc(F)cc1)c3C(=O)c1ccccc1-2 ZINC000000794938 555557989 /nfs/dbraw/zinc/55/79/89/555557989.db2.gz BTEJGTMVORRRKC-UHFFFAOYSA-N 0 1 434.448 3.690 50 10 IHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000009259340 556267621 /nfs/dbraw/zinc/26/76/21/556267621.db2.gz MTXLAVWWKVHFMK-ZROIWOOFSA-N 0 1 445.338 3.906 50 10 IHCAMN CCc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)C2=O)cc1 ZINC000016161654 556586346 /nfs/dbraw/zinc/58/63/46/556586346.db2.gz NPLZBEUAFCZDEQ-AQTBWJFISA-N 0 1 432.432 3.531 50 10 IHCAMN O=C1CCCN1C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000057992853 556751187 /nfs/dbraw/zinc/75/11/87/556751187.db2.gz RSTWINWGIDQOEF-QFIPXVFZSA-N 0 1 447.501 3.995 50 10 IHCAMN COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000001203867 557120446 /nfs/dbraw/zinc/12/04/46/557120446.db2.gz KMJRKOXLOFPOLK-GXDHUFHOSA-N 0 1 431.311 3.597 50 10 IHCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1 ZINC000022130594 557180082 /nfs/dbraw/zinc/18/00/82/557180082.db2.gz OTRDXDXWQCFJBY-LDADJPATSA-N 0 1 433.445 3.995 50 10 IHCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c1O ZINC000102729699 557370766 /nfs/dbraw/zinc/37/07/66/557370766.db2.gz TWGRPKZELCYRLM-MQSCRBSSSA-N 0 1 430.460 3.760 50 10 IHCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000008801612 569476438 /nfs/dbraw/zinc/47/64/38/569476438.db2.gz DUMKHFDUTSPFMO-QFIPXVFZSA-N 0 1 443.613 3.501 50 10 IHCAMN COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000008799083 569476448 /nfs/dbraw/zinc/47/64/48/569476448.db2.gz HHCUPPSOKJSMIL-QFIPXVFZSA-N 0 1 443.613 3.501 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1Cl ZINC000008964191 569491187 /nfs/dbraw/zinc/49/11/87/569491187.db2.gz RLMBWURXWJSWOF-QFIPXVFZSA-N 0 1 440.975 3.533 50 10 IHCAMN Cc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 ZINC000019796443 569585033 /nfs/dbraw/zinc/58/50/33/569585033.db2.gz JQPRXUKVMYLKNX-UHFFFAOYSA-N 0 1 429.523 3.583 50 10 IHCAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 ZINC000001172508 132238273 /nfs/dbraw/zinc/23/82/73/132238273.db2.gz ZTKZDPZZQLIUTQ-RCCKNPSSSA-N 0 1 430.533 3.683 50 10 IHCAMN COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)CC2)cc1 ZINC000008617255 132288863 /nfs/dbraw/zinc/28/88/63/132288863.db2.gz JIZASMCDWCAGBB-UHFFFAOYSA-N 0 1 443.960 3.575 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000009135653 132306223 /nfs/dbraw/zinc/30/62/23/132306223.db2.gz CHJBBKNZEBCEGR-DEOSSOPVSA-N 0 1 434.584 3.523 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 ZINC000009138383 132306689 /nfs/dbraw/zinc/30/66/89/132306689.db2.gz JZQLVVUTLAKJMC-RUZDIDTESA-N 0 1 448.611 3.913 50 10 IHCAMN Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 ZINC000009165198 132307569 /nfs/dbraw/zinc/30/75/69/132307569.db2.gz LQKRDQTVQSJNOI-DEOSSOPVSA-N 0 1 434.584 3.659 50 10 IHCAMN C[C@@H]1C[C@@H](C)CN(c2cc(NCCN(C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641442 132324421 /nfs/dbraw/zinc/32/44/21/132324421.db2.gz STRQQDBSPDDDDU-IAGOWNOFSA-N 0 1 448.567 3.858 50 10 IHCAMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000012363664 522260905 /nfs/dbraw/zinc/26/09/05/522260905.db2.gz NXSZQBCCGASVDI-IIMQCXAKSA-N 0 1 440.521 3.712 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)C(=O)NC2=S)cc1 ZINC000008396078 536656906 /nfs/dbraw/zinc/65/69/06/536656906.db2.gz JAWGZJBPLOWRQZ-DEDYPNTBSA-N 0 1 446.532 3.637 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)c3csc4c3CCCCC4)CC2)cc1 ZINC000006803894 536696478 /nfs/dbraw/zinc/69/64/78/536696478.db2.gz HIHJNRRLPYJCOK-UHFFFAOYSA-N 0 1 427.614 3.968 50 10 IHCAMN COc1ccc(N2CCN(CCCNC(=O)c3cc4ccccc4cc3OC)CC2)cc1 ZINC000009919428 536696796 /nfs/dbraw/zinc/69/67/96/536696796.db2.gz ZFVAQYWCSFMSBZ-UHFFFAOYSA-N 0 1 433.552 3.799 50 10 IHCAMN COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000001199186 555677917 /nfs/dbraw/zinc/67/79/17/555677917.db2.gz WTIZLRFDGSORGI-WUXMJOGZSA-N 0 1 425.268 3.972 50 10 IHCAMN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1 ZINC000014253370 556409892 /nfs/dbraw/zinc/40/98/92/556409892.db2.gz NLOXEHUSCAYPBA-UHFFFAOYSA-N 0 1 438.477 3.875 50 10 IHCAMN COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1Cn1cncn1 ZINC000014970021 556466709 /nfs/dbraw/zinc/46/67/09/556466709.db2.gz NZUDVECNDXWOPM-OAHLLOKOSA-N 0 1 438.482 3.958 50 10 IHCAMN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000015799764 556552464 /nfs/dbraw/zinc/55/24/64/556552464.db2.gz XBNBVTBUUKASMK-VIZOYTHASA-N 0 1 449.897 3.794 50 10 IHCAMN CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000023080574 556997919 /nfs/dbraw/zinc/99/79/19/556997919.db2.gz LMRYLKRTYQNZCR-RUZDIDTESA-N 0 1 438.616 3.650 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(C)c1 ZINC000013008125 569306582 /nfs/dbraw/zinc/30/65/82/569306582.db2.gz TXWPNWIGCKTEOK-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000002462490 569316193 /nfs/dbraw/zinc/31/61/93/569316193.db2.gz ICPAMHNEWRESJI-GOTSBHOMSA-N 0 1 443.478 3.953 50 10 IHCAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(OC)c1 ZINC000096234385 569387873 /nfs/dbraw/zinc/38/78/73/569387873.db2.gz JAQUOLXZQZIPRO-PJQLUOCWSA-N 0 1 437.304 3.842 50 10 IHCAMN O=C1NN(c2ccccc2)C(=O)/C1=C1\c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000009849847 569571381 /nfs/dbraw/zinc/57/13/81/569571381.db2.gz DXCSVFJLCZBPEU-QZQOTICOSA-N 0 1 429.863 3.718 50 10 IHCAMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3O)C(=O)NC2=S)cc1C ZINC000000714716 132229673 /nfs/dbraw/zinc/22/96/73/132229673.db2.gz ZTYWHIBEBXJZFY-OQLLNIDSSA-N 0 1 431.311 3.603 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001158629 132237848 /nfs/dbraw/zinc/23/78/48/132237848.db2.gz FLDDQXSSLPIEEH-YBFXNURJSA-N 0 1 445.500 3.654 50 10 IHCAMN COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000001197976 132239252 /nfs/dbraw/zinc/23/92/52/132239252.db2.gz YUDBCXCAUFGQAY-GZTJUZNOSA-N 0 1 433.489 3.794 50 10 IHCAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C ZINC000009165220 132307566 /nfs/dbraw/zinc/30/75/66/132307566.db2.gz BJWGKEUZBBINPA-RUZDIDTESA-N 0 1 448.611 3.968 50 10 IHCAMN CC[C@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000001106536 521758391 /nfs/dbraw/zinc/75/83/91/521758391.db2.gz HLQNMBMTHNTABU-VLURKWGBSA-N 0 1 428.485 3.843 50 10 IHCAMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cccc1OC ZINC000001106534 522255332 /nfs/dbraw/zinc/25/53/32/522255332.db2.gz HLQNMBMTHNTABU-LVLBFHFTSA-N 0 1 428.485 3.843 50 10 IHCAMN COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3O)=NN2)cc1OC ZINC000012323060 522834567 /nfs/dbraw/zinc/83/45/67/522834567.db2.gz QYGYLQGCOIISPM-OAHLLOKOSA-N 0 1 438.480 3.888 50 10 IHCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000012362919 526090562 /nfs/dbraw/zinc/09/05/62/526090562.db2.gz LTRLVTXQWPYSCW-UDWIEESQSA-N 0 1 446.488 3.834 50 10 IHCAMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000001194857 536632728 /nfs/dbraw/zinc/63/27/28/536632728.db2.gz BXBQUIFYMKOGMH-XNTDXEJSSA-N 0 1 431.311 3.597 50 10 IHCAMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2c1 ZINC000009259181 556267673 /nfs/dbraw/zinc/26/76/73/556267673.db2.gz ZTRPFITYRDPSIX-SFQUDFHCSA-N 0 1 436.464 3.827 50 10 IHCAMN COc1cc2c(cc1OC)CN(C(=O)CN(C)Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000015571635 556535686 /nfs/dbraw/zinc/53/56/86/556535686.db2.gz KRMAAWOHTPRROC-UHFFFAOYSA-N 0 1 437.584 3.711 50 10 IHCAMN CCCC[N@@H+](C)Cc1cc(I)cc(I)c1[O-] ZINC000016662955 556621172 /nfs/dbraw/zinc/62/11/72/556621172.db2.gz HLPMJIXTTXLPFE-UHFFFAOYSA-N 0 1 445.082 3.833 50 10 IHCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O ZINC000022033963 557172603 /nfs/dbraw/zinc/17/26/03/557172603.db2.gz HINJHGZNUFBANV-KPKJPENVSA-N 0 1 437.304 3.929 50 10 IHCAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c1O ZINC000101047510 557215737 /nfs/dbraw/zinc/21/57/37/557215737.db2.gz TWGRPKZELCYRLM-XPNTWCBSSA-N 0 1 430.460 3.760 50 10 IHCAMN COc1cccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1OC ZINC000020114413 563023773 /nfs/dbraw/zinc/02/37/73/563023773.db2.gz MUOITKHXCGBFTG-DHZHZOJOSA-N 0 1 446.551 3.964 50 10 IHCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc32)CC1 ZINC000020392972 563024690 /nfs/dbraw/zinc/02/46/90/563024690.db2.gz RKCLKKWMRRPVGZ-UHFFFAOYSA-N 0 1 438.524 3.629 50 10 biogenic IHCAMN O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c(O)c4oc3c(-c3ccc[nH]c3=O)c12 ZINC000085877839 568838573 /nfs/dbraw/zinc/83/85/73/568838573.db2.gz VFGNWAXOQHIRNC-UHFFFAOYSA-N 0 1 432.436 3.896 50 10 biogenic IHCAMN CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 ZINC000089960830 569169095 /nfs/dbraw/zinc/16/90/95/569169095.db2.gz UAGJEJDVRXQIGC-FQEVSTJZSA-N 0 1 429.948 3.532 50 10 IHCAMN Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1C ZINC000013008082 569306429 /nfs/dbraw/zinc/30/64/29/569306429.db2.gz HPIRAEQFPWGXMP-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007894 569306450 /nfs/dbraw/zinc/30/64/50/569306450.db2.gz IPUJSNVXAXKCOD-XMMPIXPASA-N 0 1 434.584 3.578 50 10 IHCAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1C ZINC000001172774 132238293 /nfs/dbraw/zinc/23/82/93/132238293.db2.gz SDDOFGDPZBILAQ-GDNBJRDFSA-N 0 1 431.311 3.597 50 10 IHCAMN Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000009135772 132306403 /nfs/dbraw/zinc/30/64/03/132306403.db2.gz ZBALCNLFOWGXGW-DEOSSOPVSA-N 0 1 434.584 3.578 50 10 IHCAMN Cc1ccc(C)c(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)NC2=S)c1 ZINC000009293238 132312860 /nfs/dbraw/zinc/31/28/60/132312860.db2.gz DUEVJJVVGWRBSA-ZHZULCJRSA-N 0 1 431.561 3.834 50 10 IHCAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000009311658 132313498 /nfs/dbraw/zinc/31/34/98/132313498.db2.gz AZDXPKHYQUUGRX-ZROIWOOFSA-N 0 1 449.301 3.818 50 10 IHCAMN COc1ccc(N2CCN(C[C@H](O)COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000009469854 132318775 /nfs/dbraw/zinc/31/87/75/132318775.db2.gz RSQBHLLOPQJJHC-VWLOTQADSA-N 0 1 432.564 3.984 50 10 IHCAMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1C ZINC000001128558 523126064 /nfs/dbraw/zinc/12/60/64/523126064.db2.gz SMRJFMKBRCQYDX-MHWRWJLKSA-N 0 1 432.343 3.719 50 10 IHCAMN CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N3CCCCC3)ccc21 ZINC000009138371 536397304 /nfs/dbraw/zinc/39/73/04/536397304.db2.gz MQJBVCROJNLJAA-DEOSSOPVSA-N 0 1 440.632 3.551 50 10 IHCAMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000000981251 555593707 /nfs/dbraw/zinc/59/37/07/555593707.db2.gz ZHTKEUIHBZHLAU-YBEGLDIGSA-N 0 1 430.913 3.967 50 10 IHCAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCSc1cccc2ccccc21 ZINC000002997347 555876322 /nfs/dbraw/zinc/87/63/22/555876322.db2.gz DTKKLPJBSARZHG-UHFFFAOYSA-N 0 1 448.500 3.769 50 10 IHCAMN O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000044910865 556680722 /nfs/dbraw/zinc/68/07/22/556680722.db2.gz RLGBIBNKQSUTBW-UHFFFAOYSA-N 0 1 427.976 3.705 50 10 IHCAMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)o1 ZINC000019877901 556936165 /nfs/dbraw/zinc/93/61/65/556936165.db2.gz GOQBXZRZDJIQSE-ATVHPVEESA-N 0 1 449.444 3.695 50 10 IHCAMN CCC(=O)Nc1cc2nc(C)ccc2c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000065135964 569110863 /nfs/dbraw/zinc/11/08/63/569110863.db2.gz UEYHMRTYSKAQSX-UHFFFAOYSA-N 0 1 445.567 3.574 50 10 IHCAMN CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013008044 569306397 /nfs/dbraw/zinc/30/63/97/569306397.db2.gz UDGZIUJNDDJEML-XMMPIXPASA-N 0 1 434.584 3.523 50 10 IHCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000002462492 569316246 /nfs/dbraw/zinc/31/62/46/569316246.db2.gz ICPAMHNEWRESJI-DHIUTWEWSA-N 0 1 443.478 3.953 50 10 IHCAMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](C)C(=O)NCCCc1cn[nH]c1C ZINC000095397409 569363674 /nfs/dbraw/zinc/36/36/74/569363674.db2.gz XODBRFGDYHISBB-KRWDZBQOSA-N 0 1 435.572 3.549 50 10 IHCAMN Cc1cc(C(=O)CN2CCC[C@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057903287 569442650 /nfs/dbraw/zinc/44/26/50/569442650.db2.gz PCHGUAAORRZIEH-FQEVSTJZSA-N 0 1 443.594 3.823 50 10 IHCAMN