smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)n1 ZINC000727243937 576415173 /nfs/dbraw/zinc/41/51/73/576415173.db2.gz LIDZYMZESJMMTI-UHFFFAOYSA-N 0 2 346.437 2.443 10 10 EECELN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cn1 ZINC000194787306 684967411 /nfs/dbraw/zinc/96/74/11/684967411.db2.gz QVXJNICCKMERLW-UHFFFAOYSA-N 0 2 348.409 2.410 10 10 EECELN COC(=O)[C@H](NCc1cc(Cl)cc(Cl)c1O)c1ccn(C)n1 ZINC000787438023 807119442 /nfs/dbraw/zinc/11/94/42/807119442.db2.gz GFQXFCKEKFZHNF-GFCCVEGCSA-N 0 2 344.198 2.436 10 10 EECELN O=C(C1CCCC1)N1CC[NH+](Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000069813597 203052418 /nfs/dbraw/zinc/05/24/18/203052418.db2.gz JMBGGTKQORCCRF-UHFFFAOYSA-N 0 2 333.388 2.135 10 10 EECELN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(F)c(F)c1O ZINC000895864017 684746251 /nfs/dbraw/zinc/74/62/51/684746251.db2.gz MUZKIABUSPTNEA-WCQYABFASA-N 0 2 329.343 2.261 10 10 EECELN O=S(=O)(Nc1ccc2c(c1)CCCO2)c1cccc2nonc21 ZINC000765079584 577494346 /nfs/dbraw/zinc/49/43/46/577494346.db2.gz PCXFNXOCRMFYDS-UHFFFAOYSA-N 0 2 331.353 2.349 10 10 EECELN COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1 ZINC000753023051 577780300 /nfs/dbraw/zinc/78/03/00/577780300.db2.gz ZTFSQRUWDZGOTC-UHFFFAOYSA-N 0 2 343.307 2.258 10 10 EECELN O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1F ZINC000756390281 577843164 /nfs/dbraw/zinc/84/31/64/577843164.db2.gz VETMXXDWTLPKLB-AWEZNQCLSA-N 0 2 338.266 2.494 10 10 EECELN COc1c(O)c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000903959263 1331618063 /nfs/dbraw/zinc/61/80/63/1331618063.db2.gz DDOKFPQUNITBIU-QGZVFWFLSA-N 0 2 335.404 2.275 10 10 EECELN Cc1c(NS(=O)(=O)c2cccc3nonc32)cccc1N(C)C ZINC000776090847 577451957 /nfs/dbraw/zinc/45/19/57/577451957.db2.gz FLUHYGIBHXWFIH-UHFFFAOYSA-N 0 2 332.385 2.398 10 10 EECELN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(C2=S=CC=C2)o1 ZINC001584090518 1348720477 /nfs/dbraw/zinc/72/04/77/1348720477.db2.gz PNACXJYTNDKTAG-UHFFFAOYSA-N 0 2 337.364 2.338 10 10 EECELN COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(F)cc(F)c1O ZINC000753014331 577780073 /nfs/dbraw/zinc/78/00/73/577780073.db2.gz FWIWHWWUTPCLCP-UHFFFAOYSA-N 0 2 341.335 2.430 10 10 EECELN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(F)cc(F)c1O ZINC000753017722 577780198 /nfs/dbraw/zinc/78/01/98/577780198.db2.gz NIPGFTBXZLDRQD-UHFFFAOYSA-N 0 2 343.307 2.242 10 10 EECELN COc1ccccc1[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)C(=O)[O-] ZINC000756359723 577842702 /nfs/dbraw/zinc/84/27/02/577842702.db2.gz FAOIMSWFRKMMIU-HNNXBMFYSA-N 0 2 332.312 2.225 10 10 EECELN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCc1n[nH]c(=O)[nH]1 ZINC001559130270 1342497931 /nfs/dbraw/zinc/49/79/31/1342497931.db2.gz AXMNNZLYEMKLEW-UHFFFAOYSA-N 0 2 339.311 2.262 10 10 EECELN CCn1nccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000277563819 463920406 /nfs/dbraw/zinc/92/04/06/463920406.db2.gz DJCYFBBDWHLLAK-UHFFFAOYSA-N 0 2 325.390 2.197 10 10 EECELN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC001567972264 1124211509 /nfs/dbraw/zinc/21/15/09/1124211509.db2.gz MCNIFUCXCYXBJR-UHFFFAOYSA-N 0 2 340.339 2.458 10 10 EECELN Cc1ncc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)n1C ZINC000863408554 1296267219 /nfs/dbraw/zinc/26/72/19/1296267219.db2.gz OBGDBNKRQXDDGT-UHFFFAOYSA-N 0 2 325.390 2.022 10 10 EECELN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)ccc1O ZINC000775285956 577434100 /nfs/dbraw/zinc/43/41/00/577434100.db2.gz GHUPXGUTMRFFGA-UHFFFAOYSA-N 0 2 336.325 2.036 10 10 EECELN COC[C@]1(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000862552403 1295879102 /nfs/dbraw/zinc/87/91/02/1295879102.db2.gz XTHPKPLNQCZIOJ-AWEZNQCLSA-N 0 2 330.768 2.191 10 10 EECELN COC[C@]1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000862552403 1295879116 /nfs/dbraw/zinc/87/91/16/1295879116.db2.gz XTHPKPLNQCZIOJ-AWEZNQCLSA-N 0 2 330.768 2.191 10 10 EECELN CSc1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000792701890 809968424 /nfs/dbraw/zinc/96/84/24/809968424.db2.gz GJDBZAMGGNRFCY-UHFFFAOYSA-N 0 2 325.415 2.058 10 10 EECELN O=C(Nc1cccc(N2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000795396411 1212093234 /nfs/dbraw/zinc/09/32/34/1212093234.db2.gz IHXDTKNEUPCIGP-UHFFFAOYSA-N 0 2 343.339 2.389 10 10 EECELN COC(=O)[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000125799665 463579800 /nfs/dbraw/zinc/57/98/00/463579800.db2.gz ZXXBBCSOVFCYMQ-JQWIXIFHSA-N 0 2 334.199 2.461 10 10 EECELN COc1ccc(O)c(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000734018915 577272738 /nfs/dbraw/zinc/27/27/38/577272738.db2.gz NMWJIQOZIQPMGA-UHFFFAOYSA-N 0 2 339.351 2.288 10 10 EECELN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1 ZINC000753014675 577780105 /nfs/dbraw/zinc/78/01/05/577780105.db2.gz CIWFXBWXWLGWIW-UHFFFAOYSA-N 0 2 342.323 2.430 10 10 EECELN CC(=O)N(C)c1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000163896979 682139526 /nfs/dbraw/zinc/13/95/26/682139526.db2.gz ZFNYVNNAFBJHRH-UHFFFAOYSA-N 0 2 346.368 2.006 10 10 EECELN Nc1cc2[nH]c3nc(=O)[nH]c(=O)c-3nc2cc1N=Nc1ccccc1 ZINC000006188281 462680143 /nfs/dbraw/zinc/68/01/43/462680143.db2.gz PKNWJYZECZUNJM-GHVJWSGMSA-N 0 2 333.311 2.157 10 10 EECELN O=C(NCc1c(O)cccc1O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001304053887 1331375286 /nfs/dbraw/zinc/37/52/86/1331375286.db2.gz VDBRIRJPDUVZDE-UHFFFAOYSA-N 0 2 343.314 2.058 10 10 EECELN O=C(NCc1ccc(O)cc1O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001557084793 1342440679 /nfs/dbraw/zinc/44/06/79/1342440679.db2.gz OPZCBIXTSDEIRN-UHFFFAOYSA-N 0 2 343.314 2.058 10 10 EECELN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(O)cc1 ZINC000915186079 684061162 /nfs/dbraw/zinc/06/11/62/684061162.db2.gz GUDNOCCCRPLPHG-UHFFFAOYSA-N 0 2 325.342 2.189 10 10 EECELN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000727241745 576415357 /nfs/dbraw/zinc/41/53/57/576415357.db2.gz DCBBKPLHLKCJGE-UHFFFAOYSA-N 0 2 338.389 2.484 10 10 EECELN C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(F)cc(F)c1O ZINC000753013860 577780128 /nfs/dbraw/zinc/78/01/28/577780128.db2.gz BJSOXYZLAVWRGX-JTQLQIEISA-N 0 2 343.351 2.247 10 10 EECELN O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000895378061 684560962 /nfs/dbraw/zinc/56/09/62/684560962.db2.gz OUFVGQQSXOPTMA-OAHLLOKOSA-N 0 2 339.363 2.430 10 10 EECELN CC[N@@H+](CC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728708564 576520288 /nfs/dbraw/zinc/52/02/88/576520288.db2.gz AEYDSQJZNKUQME-UHFFFAOYSA-N 0 2 343.379 2.324 10 10 EECELN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000775286325 577434103 /nfs/dbraw/zinc/43/41/03/577434103.db2.gz OOZFWMFPYKXHGF-UHFFFAOYSA-N 0 2 338.341 2.500 10 10 EECELN C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(F)cc(F)c1O ZINC000753013861 577780132 /nfs/dbraw/zinc/78/01/32/577780132.db2.gz BJSOXYZLAVWRGX-SNVBAGLBSA-N 0 2 343.351 2.247 10 10 EECELN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCN(CC(F)F)CC2)c1[O-] ZINC000092586539 237036099 /nfs/dbraw/zinc/03/60/99/237036099.db2.gz VSTBZXUSRUEGQO-UHFFFAOYSA-N 0 2 335.738 2.337 10 10 EECELN CC(C)(C)SCCNC=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000212442419 464103501 /nfs/dbraw/zinc/10/35/01/464103501.db2.gz ZWBUZVZZKVTFBF-ACCUITESSA-N 0 2 347.440 2.275 10 10 EECELN COc1cccc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1O ZINC000729859392 576685708 /nfs/dbraw/zinc/68/57/08/576685708.db2.gz OAXUUOQBWCEIHN-UHFFFAOYSA-N 0 2 339.351 2.288 10 10 EECELN CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229515 463958283 /nfs/dbraw/zinc/95/82/83/463958283.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 0 2 337.420 2.471 10 10 EECELN CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229515 463958286 /nfs/dbraw/zinc/95/82/86/463958286.db2.gz MOGSSKGQTPZUMS-JSGCOSHPSA-N 0 2 337.420 2.471 10 10 EECELN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1c(F)ccc(O)c1O ZINC001160767663 1320262100 /nfs/dbraw/zinc/26/21/00/1320262100.db2.gz STEVRSLREBRDEV-UHFFFAOYSA-N 0 2 346.293 2.091 10 10 EECELN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1c(F)ccc(O)c1O ZINC001160767663 1320262105 /nfs/dbraw/zinc/26/21/05/1320262105.db2.gz STEVRSLREBRDEV-UHFFFAOYSA-N 0 2 346.293 2.091 10 10 EECELN COC(=O)CCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000213430890 464104417 /nfs/dbraw/zinc/10/44/17/464104417.db2.gz GJDGFQIRTLZKKO-UHFFFAOYSA-N 0 2 328.173 2.004 10 10 EECELN O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1cc(F)cc2ccncc21 ZINC001650705758 1354027776 /nfs/dbraw/zinc/02/77/76/1354027776.db2.gz SJYVLZLHHSORHS-UHFFFAOYSA-N 0 2 339.355 2.370 10 10 EECELN COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000775285790 577434160 /nfs/dbraw/zinc/43/41/60/577434160.db2.gz CCMKVHVHUIJQBH-UHFFFAOYSA-N 0 2 342.304 2.249 10 10 EECELN Cc1cnc(N)c(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1 ZINC000761999621 577693139 /nfs/dbraw/zinc/69/31/39/577693139.db2.gz GAURKZUJKHHCJO-UHFFFAOYSA-N 0 2 337.401 2.266 10 10 EECELN CSCc1nnc(CNC(=O)NCc2cccc(Cl)c2O)[nH]1 ZINC001685248443 1358315099 /nfs/dbraw/zinc/31/50/99/1358315099.db2.gz FOMIDJYVINXJJL-UHFFFAOYSA-N 0 2 341.824 2.026 10 10 EECELN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(F)c(F)c1O ZINC000895864016 684746167 /nfs/dbraw/zinc/74/61/67/684746167.db2.gz MUZKIABUSPTNEA-DGCLKSJQSA-N 0 2 329.343 2.261 10 10 EECELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000175851010 676066902 /nfs/dbraw/zinc/06/69/02/676066902.db2.gz LTXRKXMELDXQCJ-UHFFFAOYSA-N 0 2 349.441 2.356 10 10 EECELN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1=COCCC1 ZINC000107763634 237118957 /nfs/dbraw/zinc/11/89/57/237118957.db2.gz DVAXZYFMIKBFDQ-UHFFFAOYSA-N 0 2 330.428 2.206 10 10 EECELN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(O)cc(F)cc1F ZINC000127668771 1201002145 /nfs/dbraw/zinc/00/21/45/1201002145.db2.gz OOVXXJLGDHIKJH-UHFFFAOYSA-N 0 2 348.349 2.437 10 10 EECELN CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229519 463958529 /nfs/dbraw/zinc/95/85/29/463958529.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 0 2 337.420 2.471 10 10 EECELN CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1 ZINC000278229519 463958531 /nfs/dbraw/zinc/95/85/31/463958531.db2.gz MOGSSKGQTPZUMS-OCCSQVGLSA-N 0 2 337.420 2.471 10 10 EECELN Cn1nccc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000727243904 576415024 /nfs/dbraw/zinc/41/50/24/576415024.db2.gz JQCUYCOJWAWCDG-UHFFFAOYSA-N 0 2 346.437 2.443 10 10 EECELN CC(=O)N1CCC(c2[nH][nH]c(=O)c2N=Nc2ccc(F)cc2F)CC1 ZINC000253986543 244042580 /nfs/dbraw/zinc/04/25/80/244042580.db2.gz LHMJRAAQHHRNBB-OAHLLOKOSA-N 0 2 349.341 2.161 10 10 EECELN COC[C@@]1(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000862552404 1295879331 /nfs/dbraw/zinc/87/93/31/1295879331.db2.gz XTHPKPLNQCZIOJ-CQSZACIVSA-N 0 2 330.768 2.191 10 10 EECELN COC[C@@]1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000862552404 1295879346 /nfs/dbraw/zinc/87/93/46/1295879346.db2.gz XTHPKPLNQCZIOJ-CQSZACIVSA-N 0 2 330.768 2.191 10 10 EECELN CO[C@H](CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000849308579 1339151885 /nfs/dbraw/zinc/15/18/85/1339151885.db2.gz SNGKCYWFYAGYEL-CQSZACIVSA-N 0 2 344.389 2.247 10 10 EECELN CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229511 463957176 /nfs/dbraw/zinc/95/71/76/463957176.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 0 2 337.420 2.471 10 10 EECELN CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1 ZINC000278229511 463957179 /nfs/dbraw/zinc/95/71/79/463957179.db2.gz MOGSSKGQTPZUMS-GXTWGEPZSA-N 0 2 337.420 2.471 10 10 EECELN COc1cc(OC)c(S(=O)(=O)Nc2ccc(O)cc2)c(OC)c1 ZINC000777591968 577482684 /nfs/dbraw/zinc/48/26/84/577482684.db2.gz VVLYDNLXXHDGNY-UHFFFAOYSA-N 0 2 339.369 2.219 10 10 EECELN O=S(=O)(Nc1ccc2nccnc2c1)c1cc(F)cc(F)c1O ZINC000753020232 577780228 /nfs/dbraw/zinc/78/02/28/577780228.db2.gz PJRCEEORVDCORT-UHFFFAOYSA-N 0 2 337.307 2.414 10 10 EECELN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(O)c3)C2=O)cc1 ZINC000100137480 219092808 /nfs/dbraw/zinc/09/28/08/219092808.db2.gz TYRJGQJMOGLOCP-XNTDXEJSSA-N 0 2 337.335 2.279 10 10 EECELN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1=COCCC1 ZINC000107763734 237118718 /nfs/dbraw/zinc/11/87/18/237118718.db2.gz CRNVEISZOXXAKB-UHFFFAOYSA-N 0 2 334.391 2.097 10 10 EECELN CC(=O)N1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000271199688 464289638 /nfs/dbraw/zinc/28/96/38/464289638.db2.gz SPYLCDDMRLPJTQ-SECBINFHSA-N 0 2 327.768 2.006 10 10 EECELN CC(=O)N1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000271199688 464289643 /nfs/dbraw/zinc/28/96/43/464289643.db2.gz SPYLCDDMRLPJTQ-SECBINFHSA-N 0 2 327.768 2.006 10 10 EECELN COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc1OC ZINC000753014771 577780080 /nfs/dbraw/zinc/78/00/80/577780080.db2.gz DHCWPTJGMSDALR-UHFFFAOYSA-N 0 2 345.323 2.488 10 10 EECELN CCOc1cc(O)ccc1NS(=O)(=O)c1c(C)nn(C)c1Cl ZINC000189423524 464500495 /nfs/dbraw/zinc/50/04/95/464500495.db2.gz MNGJQDVLZVDDOQ-UHFFFAOYSA-N 0 2 345.808 2.287 10 10 EECELN CCn1cnc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000747855852 577951483 /nfs/dbraw/zinc/95/14/83/577951483.db2.gz BRTOCUBNMPMMBP-UHFFFAOYSA-N 0 2 335.414 2.222 10 10 EECELN Cn1ncc(Cl)c1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808114505 812461773 /nfs/dbraw/zinc/46/17/73/812461773.db2.gz BLLZVEXBINULEG-UHFFFAOYSA-N 0 2 340.163 2.372 10 10 EECELN COc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000775287580 577434143 /nfs/dbraw/zinc/43/41/43/577434143.db2.gz CXALDFMFXDWODO-UHFFFAOYSA-N 0 2 338.341 2.418 10 10 EECELN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C2N=NC(=O)N2C)c1 ZINC000895178698 684226965 /nfs/dbraw/zinc/22/69/65/684226965.db2.gz XJSKEJBSBCQEHE-MRVPVSSYSA-N 0 2 341.209 2.148 10 10 EECELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c3nonc3ccc2Cl)n1 ZINC001436138343 1342012551 /nfs/dbraw/zinc/01/25/51/1342012551.db2.gz OZJGPTCOZIBLIE-UHFFFAOYSA-N 0 2 336.695 2.253 10 10 EECELN CCCCN(Cc1ccccc1O)C(=O)NCc1nnc(COC)[nH]1 ZINC000821161074 786639250 /nfs/dbraw/zinc/63/92/50/786639250.db2.gz VFXDMVLMXAOLPK-UHFFFAOYSA-N 0 2 347.419 2.169 10 10 EECELN C[C@H](NCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1O ZINC001644183473 1352759240 /nfs/dbraw/zinc/75/92/40/1352759240.db2.gz NHFVCILGBSQKEL-NSHDSACASA-N 0 2 331.397 2.065 10 10 EECELN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2nccs2)C1=O ZINC000102664345 219219857 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