smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@H]1c1ccccn1 ZINC000004909783 203809625 /nfs/dbraw/zinc/80/96/25/203809625.db2.gz IRELIELMQOTRNT-GOSISDBHSA-N 0 1 352.825 4.080 40 0 FIABMN COc1ccccc1CN(CCCn1ccnc1)Cc1cc(F)cc(F)c1 ZINC000043277813 205103228 /nfs/dbraw/zinc/10/32/28/205103228.db2.gz ZXXLFQBWVIHHDC-UHFFFAOYSA-N 0 1 371.431 4.262 40 0 FIABMN CC(C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)n1 ZINC000328995063 132372299 /nfs/dbraw/zinc/37/22/99/132372299.db2.gz JFRPKBMUWLELQK-HNNXBMFYSA-N 0 1 354.498 4.036 40 0 FIABMN CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000408587085 263476266 /nfs/dbraw/zinc/47/62/66/263476266.db2.gz BHALHEGCEGUHKL-UHFFFAOYSA-N 0 1 353.871 4.492 40 0 FIABMN Cc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289301 560032920 /nfs/dbraw/zinc/03/29/20/560032920.db2.gz PPLVNFSBVJZJIS-IRXDYDNUSA-N 0 1 369.509 4.159 40 0 biogenic,in-vitro FIABMN Cc1ccc2nc(C[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289301 560032921 /nfs/dbraw/zinc/03/29/21/560032921.db2.gz PPLVNFSBVJZJIS-IRXDYDNUSA-N 0 1 369.509 4.159 40 0 biogenic,in-vitro FIABMN Cc1ccc2nc(C[C@H]3C[N@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289301 560032922 /nfs/dbraw/zinc/03/29/22/560032922.db2.gz PPLVNFSBVJZJIS-IRXDYDNUSA-N 0 1 369.509 4.159 40 0 biogenic,in-vitro FIABMN CCCC(=O)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242828 570480077 /nfs/dbraw/zinc/48/00/77/570480077.db2.gz JHRUVSXLCGSVSI-IBGZPJMESA-N 0 1 368.477 4.054 40 0 FIABMN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000072354574 570546065 /nfs/dbraw/zinc/54/60/65/570546065.db2.gz UMYSHBDMYOPEKU-IBGZPJMESA-N 0 1 366.415 4.341 40 0 FIABMN Cc1sc2nc(-c3ccc(O)c(Br)c3)[nH]c(=O)c2c1C ZINC000408735852 570685630 /nfs/dbraw/zinc/68/56/30/570685630.db2.gz YNSYTVGAAIJWNU-UHFFFAOYSA-N 0 1 351.225 4.149 40 0 FIABMN C[C@H](NC(=O)Cc1ccc2nc[nH]c2c1)c1cc2cc(Cl)ccc2o1 ZINC000019458575 570889704 /nfs/dbraw/zinc/88/97/04/570889704.db2.gz PGOUYWRYNXZZAX-NSHDSACASA-N 0 1 353.809 4.382 40 0 FIABMN COc1ccc([C@@H]2CCCN2Cc2c(C)nc3c(C)cccn23)cc1OC ZINC000019658980 570896828 /nfs/dbraw/zinc/89/68/28/570896828.db2.gz FAVGLHLLQACRIO-SFHVURJKSA-N 0 1 365.477 4.305 40 0 FIABMN COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1CN1CCCC1 ZINC000019714664 570899394 /nfs/dbraw/zinc/89/93/94/570899394.db2.gz HRMSPMTYQAQOBF-UHFFFAOYSA-N 0 1 359.495 4.123 40 0 FIABMN COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C)CC1 ZINC000022062316 570938341 /nfs/dbraw/zinc/93/83/41/570938341.db2.gz ONYKRGLBQBBZDH-UHFFFAOYSA-N 0 1 354.881 4.370 40 0 in-vitro FIABMN Cc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039768426 571024143 /nfs/dbraw/zinc/02/41/43/571024143.db2.gz SQNDRTQNQITTCR-UHFFFAOYSA-N 0 1 368.496 4.095 40 0 FIABMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000039748753 571024586 /nfs/dbraw/zinc/02/45/86/571024586.db2.gz HJIHQOHBVISWMU-UHFFFAOYSA-N 0 1 354.881 4.141 40 0 FIABMN COc1ccc2cc(S(=O)(=O)Nc3ccccc3SC)ccc2c1 ZINC000225426149 571034440 /nfs/dbraw/zinc/03/44/40/571034440.db2.gz UZOPMSLIVMMLKA-UHFFFAOYSA-N 0 1 359.472 4.371 40 0 FIABMN Cc1cc(C)cc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225742142 571061310 /nfs/dbraw/zinc/06/13/10/571061310.db2.gz WKVLICYGKUYHMY-UHFFFAOYSA-N 0 1 353.535 4.038 40 0 FIABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000257209941 571150110 /nfs/dbraw/zinc/15/01/10/571150110.db2.gz BSMUZAFZHURPAO-KRWDZBQOSA-N 0 1 362.429 4.104 40 0 FIABMN O=C([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)o1 ZINC000257217548 571151174 /nfs/dbraw/zinc/15/11/74/571151174.db2.gz CZLPAOITTTWKIG-LJQANCHMSA-N 0 1 363.417 4.162 40 0 FIABMN O=C([O-])c1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]2c2ccncn2)o1 ZINC000257217548 571151176 /nfs/dbraw/zinc/15/11/76/571151176.db2.gz CZLPAOITTTWKIG-LJQANCHMSA-N 0 1 363.417 4.162 40 0 FIABMN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(Cc3ncccc3F)C2)nc1 ZINC000257310745 571160856 /nfs/dbraw/zinc/16/08/56/571160856.db2.gz UGIUOGBFSVHGEX-QGZVFWFLSA-N 0 1 366.440 4.267 40 0 FIABMN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccnn3C)C2)n1 ZINC000072354103 571182155 /nfs/dbraw/zinc/18/21/55/571182155.db2.gz ZSMJKHDLBGVVAY-NRFANRHFSA-N 0 1 360.505 4.094 40 0 FIABMN Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1Cl ZINC000033862390 571305957 /nfs/dbraw/zinc/30/59/57/571305957.db2.gz PDIAGWIBLWIOTD-UHFFFAOYSA-N 0 1 372.881 4.088 40 0 FIABMN CCCCCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 ZINC000004792041 204164072 /nfs/dbraw/zinc/16/40/72/204164072.db2.gz WBHKGSHDNSYCIF-UHFFFAOYSA-N 0 1 363.502 4.322 40 0 FIABMN CC(C)N1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425530 204266730 /nfs/dbraw/zinc/26/67/30/204266730.db2.gz WUKKUXMCGJUKMI-KRWDZBQOSA-N 0 1 356.470 4.388 40 0 biogenic,in-vitro FIABMN Cc1cc(C)c(OC=C(O)n2nnc3cc(C)c(Cl)cc32)c(Cl)c1 ZINC000226359949 206121412 /nfs/dbraw/zinc/12/14/12/206121412.db2.gz JEIIEFNBOCNARO-UHFFFAOYSA-N 0 1 364.232 4.383 40 0 FIABMN Nc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 ZINC000226343684 206121516 /nfs/dbraw/zinc/12/15/16/206121516.db2.gz ZSTXWDFVKSIFAR-UHFFFAOYSA-N 0 1 367.044 4.337 40 0 FIABMN Cc1ccccc1C=Cc1n[nH]c(SCC(=O)N[C@H]2CCCC[C@H]2C)n1 ZINC000012845295 206297503 /nfs/dbraw/zinc/29/75/03/206297503.db2.gz LIHSSUMCLUVOFT-GMZAYQHBSA-N 0 1 370.522 4.071 40 0 FIABMN O=C(CNCc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057711903 206388916 /nfs/dbraw/zinc/38/89/16/206388916.db2.gz HVZXVVUZISPBBQ-UHFFFAOYSA-N 0 1 350.393 4.346 40 0 FIABMN CC(C)c1cc(N2CCc3ccccc3C2)nc(NC2CCCCC2)n1 ZINC000328976279 132372086 /nfs/dbraw/zinc/37/20/86/132372086.db2.gz FNVYFNWUKYACFJ-UHFFFAOYSA-N 0 1 350.510 4.329 40 0 FIABMN COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNCc1cccs1 ZINC000057698903 136129958 /nfs/dbraw/zinc/12/99/58/136129958.db2.gz XPZMBSRQAXXOCN-UHFFFAOYSA-N 0 1 356.491 4.075 40 0 FIABMN Cc1cccc(-c2n[nH]c(SCc3nnc(-c4cccc(C)c4)o3)n2)c1 ZINC000019927577 524114884 /nfs/dbraw/zinc/11/48/84/524114884.db2.gz ZNDMCZDVQUOAIB-UHFFFAOYSA-N 0 1 363.446 4.431 40 0 FIABMN O=S(=O)(Nc1ccc2sncc2c1)c1cc(Cl)ccc1Cl ZINC000222990924 568587250 /nfs/dbraw/zinc/58/72/50/568587250.db2.gz ZUYSRYUWOGKMJF-UHFFFAOYSA-N 0 1 359.259 4.404 40 0 FIABMN COc1cc2c(cc1S(=O)(=O)Nc1cccc(SC)c1)CCCC2 ZINC000223235268 568628935 /nfs/dbraw/zinc/62/89/35/568628935.db2.gz XEHFZFBKUKZQFD-UHFFFAOYSA-N 0 1 363.504 4.097 40 0 FIABMN c1cc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)co1 ZINC000096038169 570472558 /nfs/dbraw/zinc/47/25/58/570472558.db2.gz SYPGAOIGLPSKHF-UHFFFAOYSA-N 0 1 358.445 4.369 40 0 FIABMN CCCC(=O)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242827 570480049 /nfs/dbraw/zinc/48/00/49/570480049.db2.gz JHRUVSXLCGSVSI-LJQANCHMSA-N 0 1 368.477 4.054 40 0 FIABMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F ZINC000408695893 570650170 /nfs/dbraw/zinc/65/01/70/570650170.db2.gz USIQNSYMGRPSTG-UHFFFAOYSA-N 0 1 373.405 4.427 40 0 FIABMN CSc1ccc(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119080 570720134 /nfs/dbraw/zinc/72/01/34/570720134.db2.gz ZVTKEBXJTREFMV-INIZCTEOSA-N 0 1 354.475 4.154 40 0 FIABMN Cc1nccc(-c2ccc(-c3noc(CN4[C@H](C)CCC[C@@H]4C)n3)cc2)n1 ZINC000012337080 570737824 /nfs/dbraw/zinc/73/78/24/570737824.db2.gz BSOJNMAWSBVCCP-GASCZTMLSA-N 0 1 363.465 4.265 40 0 FIABMN O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063248 570797283 /nfs/dbraw/zinc/79/72/83/570797283.db2.gz YEIRBONYEZNXJZ-UHFFFAOYSA-N 0 1 364.823 4.469 40 0 FIABMN Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccccc2)Cc2ccncc2)cc1 ZINC000019371527 570887934 /nfs/dbraw/zinc/88/79/34/570887934.db2.gz VFXQBFNNMXOAEL-XZOQPEGZSA-N 0 1 362.448 4.406 40 0 FIABMN O=C(Nc1ccccc1OCc1ccccn1)[C@H]1CCN1C1CCCCC1 ZINC000019660112 570897373 /nfs/dbraw/zinc/89/73/73/570897373.db2.gz YADYIDRUQOHUHM-HXUWFJFHSA-N 0 1 365.477 4.006 40 0 FIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC000224326495 570984735 /nfs/dbraw/zinc/98/47/35/570984735.db2.gz PBHXTZNPSZRYAI-UHFFFAOYSA-N 0 1 357.431 4.048 40 0 FIABMN COc1cc2c(cc1S(=O)(=O)Nc1c(C)cc(C)cc1C)CCCC2 ZINC000224410984 570987815 /nfs/dbraw/zinc/98/78/15/570987815.db2.gz FGJVRYODIAHZFF-UHFFFAOYSA-N 0 1 359.491 4.300 40 0 FIABMN COc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000039761710 571023101 /nfs/dbraw/zinc/02/31/01/571023101.db2.gz ISWKAVDALQJKHT-UHFFFAOYSA-N 0 1 358.869 4.199 40 0 FIABMN O=C(NCc1ccco1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000225265458 571025237 /nfs/dbraw/zinc/02/52/37/571025237.db2.gz SUKBYIOYMLMADR-UHFFFAOYSA-N 0 1 351.793 4.406 40 0 FIABMN COc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000029903677 571061922 /nfs/dbraw/zinc/06/19/22/571061922.db2.gz KBMHKOBWOTUJHP-UHFFFAOYSA-N 0 1 358.869 4.199 40 0 FIABMN CC[C@H](C)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C(C)C)n1 ZINC000328988469 571106326 /nfs/dbraw/zinc/10/63/26/571106326.db2.gz IGZJGPQNIFPSPA-HOTGVXAUSA-N 0 1 368.525 4.426 40 0 FIABMN Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2ccncc2C)nc(C)n1 ZINC000257281743 571157739 /nfs/dbraw/zinc/15/77/39/571157739.db2.gz OQUCUDQZTXAMNH-FQEVSTJZSA-N 0 1 374.492 4.273 40 0 FIABMN CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cc3ccccc3s2)n1 ZINC000257317381 571161410 /nfs/dbraw/zinc/16/14/10/571161410.db2.gz VJNSMWPBCQMHRP-SFHVURJKSA-N 0 1 352.507 4.090 40 0 FIABMN Cc1ccc2c(c1)OC1(CCN(Cc3cccnc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257327106 571162395 /nfs/dbraw/zinc/16/23/95/571162395.db2.gz WZYRQQUJVABLSZ-RBBKRZOGSA-N 0 1 364.489 4.285 40 0 FIABMN CC(C)COC(=O)NC1CC2(C1)CCN(Cc1cc(F)ccc1F)CC2 ZINC000585103827 571222594 /nfs/dbraw/zinc/22/25/94/571222594.db2.gz RWQCUKZCHALHLU-UHFFFAOYSA-N 0 1 366.452 4.092 40 0 FIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000005941762 571295049 /nfs/dbraw/zinc/29/50/49/571295049.db2.gz CEJHURMMEYCALK-UHFFFAOYSA-N 0 1 353.443 4.471 40 0 FIABMN Cc1cc2nnn(C(O)=COc3c(C)cc(Cl)cc3Cl)c2c(C)c1 ZINC000226359887 206120956 /nfs/dbraw/zinc/12/09/56/206120956.db2.gz KCUVMADLVZPWGQ-UHFFFAOYSA-N 0 1 364.232 4.383 40 0 FIABMN CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)n1 ZINC000329071417 132373254 /nfs/dbraw/zinc/37/32/54/132373254.db2.gz ZPLNIMHLKBTHSA-UHFFFAOYSA-N 0 1 366.387 4.103 40 0 FIABMN C[C@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000006454928 263345110 /nfs/dbraw/zinc/34/51/10/263345110.db2.gz JBVTWEBCQFQXDE-LBPRGKRZSA-N 0 1 372.881 4.095 40 0 FIABMN Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006479175 263345118 /nfs/dbraw/zinc/34/51/18/263345118.db2.gz ZEZCEOUPKFZXJH-UHFFFAOYSA-N 0 1 372.881 4.473 40 0 FIABMN CSc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000039748369 263399804 /nfs/dbraw/zinc/39/98/04/263399804.db2.gz AOWARRFLLPFILK-UHFFFAOYSA-N 0 1 358.482 4.398 40 0 FIABMN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)c(Cl)c1Cl ZINC000113935786 263451670 /nfs/dbraw/zinc/45/16/70/263451670.db2.gz BSQRUCYEAITDAJ-UHFFFAOYSA-N 0 1 360.262 4.420 40 0 FIABMN COc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1)CCCC2 ZINC000222715606 568556517 /nfs/dbraw/zinc/55/65/17/568556517.db2.gz HRRSUHARJWFVAG-UHFFFAOYSA-N 0 1 351.855 4.028 40 0 FIABMN CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000223087088 568607960 /nfs/dbraw/zinc/60/79/60/568607960.db2.gz SIFBQKUFNBAIGZ-UHFFFAOYSA-N 0 1 368.496 4.175 40 0 FIABMN CCCC1=NC(=S)N[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)OCC ZINC000408613585 570582706 /nfs/dbraw/zinc/58/27/06/570582706.db2.gz YMHSGIQUSCWWHE-AWEZNQCLSA-N 0 1 373.305 4.130 40 0 FIABMN Cc1nc(NC(=O)Nc2cccc3ccccc32)[nH]c(=O)c1Br ZINC000016249504 570853000 /nfs/dbraw/zinc/85/30/00/570853000.db2.gz GZYDEUCYOBKKHG-UHFFFAOYSA-N 0 1 373.210 4.050 40 0 FIABMN Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 ZINC000019289486 570884708 /nfs/dbraw/zinc/88/47/08/570884708.db2.gz XIFHYEVXMLBKIU-CQSZACIVSA-N 0 1 358.848 4.140 40 0 FIABMN COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cnc(C(C)C)nc2)c1 ZINC000019453934 570889242 /nfs/dbraw/zinc/88/92/42/570889242.db2.gz DTSVJXKHWICMDF-UEXGIBASSA-N 0 1 367.493 4.041 40 0 FIABMN COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2[C@@H]1CC=CCC1 ZINC000019562560 570893738 /nfs/dbraw/zinc/89/37/38/570893738.db2.gz AFKBBASLJUWZNQ-NQERJWCQSA-N 0 1 350.462 4.383 40 0 FIABMN 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VWGKZIALAKEXHZ-UDWIEESQSA-N 0 1 367.408 4.023 40 0 FIABMN O=C([O-])COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)cc1 ZINC000012228140 570730043 /nfs/dbraw/zinc/73/00/43/570730043.db2.gz DOKGDVYLTXZFGH-NRFANRHFSA-N 0 1 365.473 4.310 40 0 FIABMN CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCOC)c(OC)c1 ZINC000012241234 570730803 /nfs/dbraw/zinc/73/08/03/570730803.db2.gz PZTFYUFOKPUDDS-QGZVFWFLSA-N 0 1 361.507 4.291 40 0 FIABMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000005184556 570775395 /nfs/dbraw/zinc/77/53/95/570775395.db2.gz HVGDQSGGPICWTC-UHFFFAOYSA-N 0 1 366.442 4.048 40 0 FIABMN O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063406 570797587 /nfs/dbraw/zinc/79/75/87/570797587.db2.gz NGLILXHDIPDSBC-UHFFFAOYSA-N 0 1 364.823 4.469 40 0 FIABMN CCOc1ccc(-c2n[nH]c(-c3ccccc3Br)n2)cc1OC ZINC000085384387 571213665 /nfs/dbraw/zinc/21/36/65/571213665.db2.gz RABKMDHWOUSVQB-UHFFFAOYSA-N 0 1 374.238 4.309 40 0 FIABMN O=C([O-])c1ccc2oc(C3=CC[N@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000226251347 571276212 /nfs/dbraw/zinc/27/62/12/571276212.db2.gz HFINAHGTHVVCJV-UHFFFAOYSA-N 0 1 368.820 4.469 40 0 FIABMN O=C([O-])c1ccc2oc(C3=CC[N@@H+](Cc4ccccc4Cl)CC3)nc2c1 ZINC000226251347 571276213 /nfs/dbraw/zinc/27/62/13/571276213.db2.gz HFINAHGTHVVCJV-UHFFFAOYSA-N 0 1 368.820 4.469 40 0 FIABMN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000007405568 571278089 /nfs/dbraw/zinc/27/80/89/571278089.db2.gz CRJVDIXUAUYTLX-UHFFFAOYSA-N 0 1 364.623 4.042 40 0 FIABMN FC(F)(F)c1ccc(N=NCc2ccc(Br)s2)nc1 ZINC000057610879 571306586 /nfs/dbraw/zinc/30/65/86/571306586.db2.gz BVZBTDKLWXOMMV-UBKPWBPPSA-N 0 1 350.163 4.370 40 0 FIABMN