smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnn1C[C@@H](C)c1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 ZINC000100775944 570508137 /nfs/dbraw/zinc/50/81/37/570508137.db2.gz ZPBZKZOGIWJTGA-GFCCVEGCSA-N 0 2 367.840 4.064 40 0 FIABLN Cc1cc(-n2nnc(C(=O)[O-])c2-c2ccccc2)c2ccc(Cl)cc2[nH+]1 ZINC000001857904 204021165 /nfs/dbraw/zinc/02/11/65/204021165.db2.gz GJKZPRPNDKINJE-UHFFFAOYSA-N 0 2 364.792 4.143 40 0 FIABLN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000006251938 204242394 /nfs/dbraw/zinc/24/23/94/204242394.db2.gz PFVDMSIPBPVATI-VOTSOKGWSA-N 0 2 367.257 4.225 40 0 FIABLN O=C([O-])[C@@H]1CS[C@H](c2cccc(OCc3cccc4ccccc43)c2)[NH2+]1 ZINC000000807727 206133866 /nfs/dbraw/zinc/13/38/66/206133866.db2.gz BICVXOSZHYYWLZ-VQTJNVASSA-N 0 2 365.454 4.207 40 0 FIABLN COc1cc(=O)c2c(O)c(O)c(-c3ccc(O)cc3)oc-2c1CC=C(C)C ZINC000014762806 560225831 /nfs/dbraw/zinc/22/58/31/560225831.db2.gz RJANATGWWPNKAL-UHFFFAOYSA-N 0 2 368.385 4.094 40 0 biogenic,in-vitro FIABLN COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1CC=C(C)C ZINC000014762806 560225832 /nfs/dbraw/zinc/22/58/32/560225832.db2.gz RJANATGWWPNKAL-UHFFFAOYSA-N 0 2 368.385 4.094 40 0 biogenic,in-vitro FIABLN COc1ccccc1O[C@@H](C)c1cc(=O)n2[nH]cc(-c3ccccc3)c2n1 ZINC000100776272 570508152 /nfs/dbraw/zinc/50/81/52/570508152.db2.gz VGHLWXBPWZSEEZ-AWEZNQCLSA-N 0 2 361.401 4.251 40 0 FIABLN O=C([O-])[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[NH2+]1 ZINC000408817425 570689309 /nfs/dbraw/zinc/68/93/09/570689309.db2.gz WFIUUGHHKOHUKA-AEFFLSMTSA-N 0 2 372.877 4.131 40 0 FIABLN CCCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1O ZINC000011565903 570703717 /nfs/dbraw/zinc/70/37/17/570703717.db2.gz TYFZGFDTIMMYDM-UHFFFAOYSA-N 0 2 363.479 4.495 40 0 FIABLN O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc2cccnc21 ZINC000014256072 570845489 /nfs/dbraw/zinc/84/54/89/570845489.db2.gz ZFRQWBYYAXJVOU-UHFFFAOYSA-N 0 2 352.337 4.054 40 0 FIABLN Cc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000225688845 571056293 /nfs/dbraw/zinc/05/62/93/571056293.db2.gz LFDZSGWYMHLWSO-UHFFFAOYSA-N 0 2 373.503 4.240 40 0 FIABLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000243786028 571282649 /nfs/dbraw/zinc/28/26/49/571282649.db2.gz QIAOJRUJRQMHPU-UHFFFAOYSA-N 0 2 365.760 4.168 40 0 FIABLN Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1 ZINC000008368908 204329282 /nfs/dbraw/zinc/32/92/82/204329282.db2.gz QQWBGSFQOGEMLK-UHFFFAOYSA-N 0 2 369.273 4.443 40 0 FIABLN O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(Cc3ccccc3O)c(O)c21 ZINC000014558314 560222376 /nfs/dbraw/zinc/22/23/76/560222376.db2.gz KSBALECVCJXYHU-IBGZPJMESA-N 0 2 362.381 4.101 40 0 biogenic,in-vitro FIABLN Cc1nc(Nc2nc(C)c(C(=O)Nc3ccc(C)cc3)c(C)n2)sc1C ZINC000013610745 570780816 /nfs/dbraw/zinc/78/08/16/570780816.db2.gz QAMHARUWTGXNSO-UHFFFAOYSA-N 0 2 367.478 4.471 40 0 FIABLN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccn1 ZINC000026841146 571184650 /nfs/dbraw/zinc/18/46/50/571184650.db2.gz OHGNGEWKUQBPLJ-OAQYLSRUSA-N 0 2 352.397 4.222 40 0 FIABLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000244037002 571282597 /nfs/dbraw/zinc/28/25/97/571282597.db2.gz SWJJGKACDJQFKR-UHFFFAOYSA-N 0 2 366.653 4.456 40 0 FIABLN O=C1NC(=O)NC(=C/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000001454233 206149506 /nfs/dbraw/zinc/14/95/06/206149506.db2.gz GJUCKXLXWRTBQA-OWOJBTEDSA-N 0 2 364.188 4.130 40 0 FIABLN Cc1ccnn1C[C@H](C)c1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 ZINC000100775947 570508117 /nfs/dbraw/zinc/50/81/17/570508117.db2.gz ZPBZKZOGIWJTGA-LBPRGKRZSA-N 0 2 367.840 4.064 40 0 FIABLN O=C([O-])[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[NH2+]1 ZINC000408817440 570689449 /nfs/dbraw/zinc/68/94/49/570689449.db2.gz WFIUUGHHKOHUKA-WMZOPIPTSA-N 0 2 372.877 4.131 40 0 FIABLN COc1cc(S(=O)(=O)Nc2nc3c(cccc3C)s2)ccc1Cl ZINC000072414491 571192679 /nfs/dbraw/zinc/19/26/79/571192679.db2.gz WIWZZWJAIDJTMC-UHFFFAOYSA-N 0 2 368.867 4.068 40 0 FIABLN O=c1[nH]c(SCc2ccc(F)cc2)nnc1Cc1ccc(Cl)cc1 ZINC000016777204 571272656 /nfs/dbraw/zinc/27/26/56/571272656.db2.gz BVWGAYFOYUNTGS-UHFFFAOYSA-N 0 2 361.829 4.253 40 0 FIABLN O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1S ZINC000021596278 206361463 /nfs/dbraw/zinc/36/14/63/206361463.db2.gz XMDLEHFZERXXDR-UHFFFAOYSA-N 0 2 360.548 4.395 40 0 FIABLN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000017075688 263372288 /nfs/dbraw/zinc/37/22/88/263372288.db2.gz ITJBRBAFMQUCPG-UHFFFAOYSA-N 0 2 369.273 4.443 40 0 FIABLN CC1=Nc2c(NC(=O)c3ccccc3)c(Nc3ccccc3)nn2C(=O)C1 ZINC000035671258 570615250 /nfs/dbraw/zinc/61/52/50/570615250.db2.gz CEKJCOCEIUAIRH-UHFFFAOYSA-N 0 2 359.389 4.015 40 0 FIABLN Cc1cc(=O)n2[nH]c(Nc3ccccc3)c(NC(=O)c3ccccc3)c2n1 ZINC000035671258 570615254 /nfs/dbraw/zinc/61/52/54/570615254.db2.gz CEKJCOCEIUAIRH-UHFFFAOYSA-N 0 2 359.389 4.015 40 0 FIABLN Cc1cn[nH]c1[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257328432 571162598 /nfs/dbraw/zinc/16/25/98/571162598.db2.gz XFPMORLUVMBCCP-GOSISDBHSA-N 0 2 365.433 4.404 40 0 FIABLN Cc1cn[nH]c1[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000257328432 571162600 /nfs/dbraw/zinc/16/26/00/571162600.db2.gz XFPMORLUVMBCCP-GOSISDBHSA-N 0 2 365.433 4.404 40 0 FIABLN Cc1nc(Nc2ncc(C(=O)Nc3ccc(C)cc3C)c(C)n2)sc1C ZINC000013610739 570780791 /nfs/dbraw/zinc/78/07/91/570780791.db2.gz YLDDDBYPSSVDTK-UHFFFAOYSA-N 0 2 367.478 4.471 40 0 FIABLN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cc(Cl)c(O)c(Cl)c1 ZINC000019287478 570884502 /nfs/dbraw/zinc/88/45/02/570884502.db2.gz WXFQZDQSMMTOJS-MEDUHNTESA-N 0 2 350.249 4.059 40 0 FIABLN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c2ccccc12 ZINC000009063993 204352439 /nfs/dbraw/zinc/35/24/39/204352439.db2.gz YVJHBCSLTRXWGU-UHFFFAOYSA-N 0 2 362.838 4.088 40 0 FIABLN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)c(Cl)c1Cl ZINC000041095701 205089268 /nfs/dbraw/zinc/08/92/68/205089268.db2.gz YIEONAINMFIXCB-UHFFFAOYSA-N 0 2 372.060 4.496 40 0 FIABLN CC(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)Nc1ccc(Cl)cc1 ZINC000104275231 206000305 /nfs/dbraw/zinc/00/03/05/206000305.db2.gz KHXDNWPFRBACSL-JTQLQIEISA-N 0 2 350.201 4.020 40 0 FIABLN Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)c(C)c1 ZINC000223260526 568631431 /nfs/dbraw/zinc/63/14/31/568631431.db2.gz RSICRMFLOSMVNU-UHFFFAOYSA-N 0 2 355.463 4.111 40 0 FIABLN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000408713326 570668072 /nfs/dbraw/zinc/66/80/72/570668072.db2.gz SSIRXTWPNQKYSK-UHFFFAOYSA-N 0 2 371.462 4.010 40 0 FIABLN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)c2ccccc21 ZINC000041095709 205089068 /nfs/dbraw/zinc/08/90/68/205089068.db2.gz BYIHADFRKDITCO-UHFFFAOYSA-N 0 2 353.230 4.342 40 0 FIABLN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccn1 ZINC000026841140 571184737 /nfs/dbraw/zinc/18/47/37/571184737.db2.gz OHGNGEWKUQBPLJ-NRFANRHFSA-N 0 2 352.397 4.222 40 0 FIABLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1SC ZINC000223437834 568655036 /nfs/dbraw/zinc/65/50/36/568655036.db2.gz UZBADYOERVTCSN-UHFFFAOYSA-N 0 2 357.884 4.180 40 0 FIABLN CCc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1 ZINC000013610730 570780747 /nfs/dbraw/zinc/78/07/47/570780747.db2.gz NRQBPGUZQCZHGL-UHFFFAOYSA-N 0 2 367.478 4.417 40 0 FIABLN Cc1ccc(S(=O)(=O)CC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000019854877 570873968 /nfs/dbraw/zinc/87/39/68/570873968.db2.gz UBLUDACDQIBMMO-UHFFFAOYSA-N 0 2 362.450 4.223 40 0 FIABLN CC(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)Nc1ccc(Cl)cc1 ZINC000104275237 209259656 /nfs/dbraw/zinc/25/96/56/209259656.db2.gz KHXDNWPFRBACSL-SNVBAGLBSA-N 0 2 350.201 4.020 40 0 FIABLN CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000223441521 568655696 /nfs/dbraw/zinc/65/56/96/568655696.db2.gz ILDCWVFGMQUSBZ-UHFFFAOYSA-N 0 2 374.940 4.198 40 0 FIABLN Cc1nc(Nc2nc(C)c(C(=O)Nc3ccccc3)c(C)n2)sc1C ZINC000014607518 570855800 /nfs/dbraw/zinc/85/58/00/570855800.db2.gz QDOBWVLRNXGRAW-UHFFFAOYSA-N 0 2 353.451 4.163 40 0 FIABLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)c1C ZINC000034240781 571306118 /nfs/dbraw/zinc/30/61/18/571306118.db2.gz POTBPQRUGJZLHF-MHWRWJLKSA-N 0 2 364.401 4.133 40 0 FIABLN O=c1cc(-c2ccccc2)nc2c(-c3cccc(Br)c3)c[nH]n21 ZINC000408956371 570702858 /nfs/dbraw/zinc/70/28/58/570702858.db2.gz WGZJKGIRJJGTCU-UHFFFAOYSA-N 0 2 366.218 4.119 40 0 FIABLN O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)NC(=S)N1C1CCCCC1 ZINC000409078387 570720697 /nfs/dbraw/zinc/72/06/97/570720697.db2.gz CBMZPWKUDFSQTD-JYRVWZFOSA-N 0 2 371.289 4.089 40 0 FIABLN CC(C)CCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 ZINC000100500021 570761758 /nfs/dbraw/zinc/76/17/58/570761758.db2.gz MLPTXZWACCPYCH-UHFFFAOYSA-N 0 2 368.408 4.145 40 0 FIABLN COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 ZINC000223692281 568702811 /nfs/dbraw/zinc/70/28/11/568702811.db2.gz HLUKDPAJANJMAV-UHFFFAOYSA-N 0 2 357.406 4.302 40 0 FIABLN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)c2ccc(Cl)cc2)s1 ZINC000015590289 570840633 /nfs/dbraw/zinc/84/06/33/570840633.db2.gz QSPKNFZKALNKIT-OAHLLOKOSA-N 0 2 363.866 4.072 40 0 FIABLN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)c2ccc(Cl)cc2)s1 ZINC000015590289 570840636 /nfs/dbraw/zinc/84/06/36/570840636.db2.gz QSPKNFZKALNKIT-OAHLLOKOSA-N 0 2 363.866 4.072 40 0 FIABLN O=S(=O)(Nc1nc2ccccc2s1)c1ccc2c3c(cccc31)CC2 ZINC000226862037 209369099 /nfs/dbraw/zinc/36/90/99/209369099.db2.gz OKQFDCYGNCCKGH-UHFFFAOYSA-N 0 2 366.467 4.349 40 0 FIABLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 ZINC000222881578 568575274 /nfs/dbraw/zinc/57/52/74/568575274.db2.gz CZYZGAFKMAXCEB-UHFFFAOYSA-N 0 2 371.553 4.012 40 0 FIABLN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1SC ZINC000408556930 570553386 /nfs/dbraw/zinc/55/33/86/570553386.db2.gz FJHLZZCYYQPGFG-UHFFFAOYSA-N 0 2 357.884 4.261 40 0 FIABLN O=C([O-])[C@@H]1CS[C@@H](c2cccc(OCc3cccc4ccccc43)c2)[NH2+]1 ZINC000004476013 570667689 /nfs/dbraw/zinc/66/76/89/570667689.db2.gz BICVXOSZHYYWLZ-PMACEKPBSA-N 0 2 365.454 4.207 40 0 FIABLN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)c2ccc(Cl)cc2)s1 ZINC000015590287 570840764 /nfs/dbraw/zinc/84/07/64/570840764.db2.gz QSPKNFZKALNKIT-HNNXBMFYSA-N 0 2 363.866 4.072 40 0 FIABLN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)c2ccc(Cl)cc2)s1 ZINC000015590287 570840768 /nfs/dbraw/zinc/84/07/68/570840768.db2.gz QSPKNFZKALNKIT-HNNXBMFYSA-N 0 2 363.866 4.072 40 0 FIABLN Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000016777303 571272660 /nfs/dbraw/zinc/27/26/60/571272660.db2.gz MHWGGGYIEIZZQY-UHFFFAOYSA-N 0 2 357.866 4.422 40 0 FIABLN O=C([O-])[C@H]1CS[C@H](c2cccc(OCc3cccc4ccccc43)c2)[NH2+]1 ZINC000000807725 209377226 /nfs/dbraw/zinc/37/72/26/209377226.db2.gz BICVXOSZHYYWLZ-WOJBJXKFSA-N 0 2 365.454 4.207 40 0 FIABLN O=C([O-])[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[NH2+]1 ZINC000408817434 570689454 /nfs/dbraw/zinc/68/94/54/570689454.db2.gz WFIUUGHHKOHUKA-SJLPKXTDSA-N 0 2 372.877 4.131 40 0 FIABLN O=C([O-])[C@H](c1cc2ccccc2o1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000090487659 132200940 /nfs/dbraw/zinc/20/09/40/132200940.db2.gz AIRBEPRGMHKPLZ-IBGZPJMESA-N 0 2 370.836 4.034 40 0 FIABLN Cc1ccc(Nc2nn3c(c2NC(=O)c2ccccc2)N=C(C)CC3=O)cc1 ZINC000035671241 570615179 /nfs/dbraw/zinc/61/51/79/570615179.db2.gz MLKCCSMVXPRRSJ-UHFFFAOYSA-N 0 2 373.416 4.324 40 0 FIABLN Cc1ccc(Nc2[nH]n3c(nc(C)cc3=O)c2NC(=O)c2ccccc2)cc1 ZINC000035671241 570615182 /nfs/dbraw/zinc/61/51/82/570615182.db2.gz MLKCCSMVXPRRSJ-UHFFFAOYSA-N 0 2 373.416 4.324 40 0 FIABLN N=c1[nH]nc(/C(=C/c2ccc(Br)cc2)c2ccccc2)s1 ZINC000408718030 570672522 /nfs/dbraw/zinc/67/25/22/570672522.db2.gz CQQXIVAMGGJLJS-GXDHUFHOSA-N 0 2 358.264 4.302 40 0 FIABLN Cc1ccccc1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000028977625 571305303 /nfs/dbraw/zinc/30/53/03/571305303.db2.gz IZJNIJASBDAVBE-OQLLNIDSSA-N 0 2 372.427 4.015 40 0 FIABLN Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C)c3)sc2c1 ZINC000072414495 571192661 /nfs/dbraw/zinc/19/26/61/571192661.db2.gz NDWRMCJQZNQDHV-UHFFFAOYSA-N 0 2 352.868 4.367 40 0 FIABLN COc1c(CC=C(C)C)c(O)cc(O)c1-c1coc2cc(O)ccc2c1=O ZINC000014762985 291081025 /nfs/dbraw/zinc/08/10/25/291081025.db2.gz SSDIPYMSXRNGMZ-UHFFFAOYSA-N 0 2 368.385 4.094 40 0 endogenous,in-man FIABLN Cc1nc(Nc2ncc(C(=O)Nc3ccccc3C)c(C)n2)sc1C ZINC000013610742 211042032 /nfs/dbraw/zinc/04/20/32/211042032.db2.gz XGHQEDYJIONGPM-UHFFFAOYSA-N 0 2 353.451 4.163 40 0 FIABLN Cc1nc(Nc2ncc(C(=O)Nc3ccc(C)cc3)c(C)n2)sc1C ZINC000013610724 570780739 /nfs/dbraw/zinc/78/07/39/570780739.db2.gz NCWRHYWOVBUNJZ-UHFFFAOYSA-N 0 2 353.451 4.163 40 0 FIABLN CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(C)(C)C ZINC000027823520 571022058 /nfs/dbraw/zinc/02/20/58/571022058.db2.gz IOMMKIFNCQFOMN-UHFFFAOYSA-N 0 2 362.495 4.359 40 0 FIABLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000006269833 570644489 /nfs/dbraw/zinc/64/44/89/570644489.db2.gz ZATCFKHTSHIJNY-UHFFFAOYSA-N 0 2 370.455 4.259 40 0 FIABLN Cc1nc(Nc2nc(C)c(C(=O)Nc3ccccc3C)c(C)n2)sc1C ZINC000014607521 220127095 /nfs/dbraw/zinc/12/70/95/220127095.db2.gz LHZFRTUIWMDWPY-UHFFFAOYSA-N 0 2 367.478 4.471 40 0 FIABLN O=c1cc(CSc2ccc(Cl)cc2)[nH]n1-c1nc2ccccc2[nH]1 ZINC000014607920 220128373 /nfs/dbraw/zinc/12/83/73/220128373.db2.gz YICKIFFJDYZXBR-UHFFFAOYSA-N 0 2 356.838 4.400 40 0 FIABLN CC(C)(C)c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)[nH]c2=O)cc1 ZINC000016806940 211170571 /nfs/dbraw/zinc/17/05/71/211170571.db2.gz IBRXIRIPAGPYET-UHFFFAOYSA-N 0 2 364.405 4.014 40 0 FIABLN O=C([O-])[C@@H](c1cc2ccccc2o1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000002527390 132383752 /nfs/dbraw/zinc/38/37/52/132383752.db2.gz AIRBEPRGMHKPLZ-LJQANCHMSA-N 0 2 370.836 4.034 40 0 FIABLN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Br)s1 ZINC000007053613 570789269 /nfs/dbraw/zinc/78/92/69/570789269.db2.gz SARIEGXEJOWPND-UHFFFAOYSA-N 0 2 368.277 4.465 40 0 FIABLN Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257303245 223058440 /nfs/dbraw/zinc/05/84/40/223058440.db2.gz SGJNHYVSTVRERF-GOSISDBHSA-N 0 2 363.417 4.080 40 0 FIABLN Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC000257303245 223058443 /nfs/dbraw/zinc/05/84/43/223058443.db2.gz SGJNHYVSTVRERF-GOSISDBHSA-N 0 2 363.417 4.080 40 0 FIABLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000014227418 220118331 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