smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000033719189 494062857 /nfs/dbraw/zinc/06/28/57/494062857.db2.gz RYIKFZUACYGPHD-KPKJPENVSA-N 0 2 359.725 3.051 50 5 FGBALN COc1ccc(CCCN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000012890318 494267964 /nfs/dbraw/zinc/26/79/64/494267964.db2.gz QJEAXPFICJPDOX-UHFFFAOYSA-N 0 2 374.393 3.022 50 5 FGBALN O=C([O-])[C@H]1CS[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)[NH2+]1 ZINC000000871715 206225027 /nfs/dbraw/zinc/22/50/27/206225027.db2.gz AATLPWJCAZWWPS-RNCFNFMXSA-N 0 2 354.771 3.296 50 5 FGBALN O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)[NH2+]1 ZINC000004974174 206239343 /nfs/dbraw/zinc/23/93/43/206239343.db2.gz AATLPWJCAZWWPS-ZANVPECISA-N 0 2 354.771 3.296 50 5 FGBALN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173882772 495730361 /nfs/dbraw/zinc/73/03/61/495730361.db2.gz OOUBPBRSQFBQAQ-UHFFFAOYSA-N 0 2 357.347 3.382 50 5 FGBALN CCC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000048355599 205160995 /nfs/dbraw/zinc/16/09/95/205160995.db2.gz IYKPDFJRYNOLBA-UHFFFAOYSA-N 0 2 363.395 3.053 50 5 FGBALN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000004732703 204159089 /nfs/dbraw/zinc/15/90/89/204159089.db2.gz XAKPASIXPSBWRB-UHFFFAOYSA-N 0 2 363.214 3.220 50 5 FGBALN CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC000095447949 494974793 /nfs/dbraw/zinc/97/47/93/494974793.db2.gz UORFDDQZARAMTR-UHFFFAOYSA-N 0 2 354.359 3.242 50 5 FGBALN Cc1ccc(-n2c3cc(Cl)ccc3cc3c(=O)[nH]c(=O)nc2-3)cc1C ZINC000002240296 204030308 /nfs/dbraw/zinc/03/03/08/204030308.db2.gz NFLYKVHWCZCSIL-UHFFFAOYSA-N 0 2 351.793 3.449 50 5 FGBALN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000005260130 204199324 /nfs/dbraw/zinc/19/93/24/204199324.db2.gz FOPBPYCNUNCYAU-UHFFFAOYSA-N 0 2 371.212 3.467 50 5 FGBALN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000072301049 205030416 /nfs/dbraw/zinc/03/04/16/205030416.db2.gz FTILIDOQHMODNA-UHFFFAOYSA-N 0 2 356.787 3.371 50 5 FGBALN COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)sc1Br ZINC000155940106 206222999 /nfs/dbraw/zinc/22/29/99/206222999.db2.gz DEBBQMAWAOVDMK-UHFFFAOYSA-N 0 2 373.184 3.385 50 5 FGBALN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NOCc1ccccc1 ZINC000023040132 206396986 /nfs/dbraw/zinc/39/69/86/206396986.db2.gz NYTVNHQMQRXAPO-UHFFFAOYSA-N 0 2 358.397 3.403 50 5 FGBALN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000058381622 493847900 /nfs/dbraw/zinc/84/79/00/493847900.db2.gz IMMHDHARMRHTNG-UHFFFAOYSA-N 0 2 372.305 3.026 50 5 FGBALN CCOc1ccccc1NS(=O)(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000020491974 494474512 /nfs/dbraw/zinc/47/45/12/494474512.db2.gz FQEGGWPBUYYMFX-UHFFFAOYSA-N 0 2 361.379 3.276 50 5 FGBALN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Br ZINC000003991774 204116861 /nfs/dbraw/zinc/11/68/61/204116861.db2.gz NXKKYTWNXWDBGT-UHFFFAOYSA-N 0 2 371.212 3.467 50 5 FGBALN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000170644906 495544956 /nfs/dbraw/zinc/54/49/56/495544956.db2.gz WGRLUVKWCZTLOL-DIFFPNOSSA-N 0 2 360.341 3.042 50 5 FGBALN Cc1ccc(-n2c3cc(Cl)ccc3cc3c(=O)[nH]c(=O)nc2-3)c(C)c1 ZINC000008738714 207246165 /nfs/dbraw/zinc/24/61/65/207246165.db2.gz FURMOYFOWVMGJG-UHFFFAOYSA-N 0 2 351.793 3.449 50 5 FGBALN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(Cl)cc3)o2)[nH]1 ZINC000032687757 208036243 /nfs/dbraw/zinc/03/62/43/208036243.db2.gz XAMSWZVALAACFI-ALCCZGGFSA-N 0 2 359.725 3.468 50 5 FGBALN C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000253419366 132293905 /nfs/dbraw/zinc/29/39/05/132293905.db2.gz KIDVMPGUTDMFGC-CHWSQXEVSA-N 0 2 371.393 3.166 50 5 FGBALN CC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000020491889 494474641 /nfs/dbraw/zinc/47/46/41/494474641.db2.gz OEWGODHLFIINFY-UHFFFAOYSA-N 0 2 359.363 3.080 50 5 FGBALN O=c1nc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3cc-2c(=O)[nH]1 ZINC000000707473 219315217 /nfs/dbraw/zinc/31/52/17/219315217.db2.gz TZSWIBKXNDTMOW-UHFFFAOYSA-N 0 2 358.184 3.486 50 5 FGBALN CCOc1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1 ZINC000004502397 207022136 /nfs/dbraw/zinc/02/21/36/207022136.db2.gz PXFWSVNNGGWBOP-VQHVLOKHSA-N 0 2 369.333 3.213 50 5 FGBALN CC(=O)c1ccc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1 ZINC000032690732 208035981 /nfs/dbraw/zinc/03/59/81/208035981.db2.gz DTIRTOFHTRIFEG-VURMDHGXSA-N 0 2 367.317 3.017 50 5 FGBALN O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1C[C@H]1CCCO1 ZINC000022313321 494519353 /nfs/dbraw/zinc/51/93/53/494519353.db2.gz GHCHVSIOARYUCN-ACJLOTCBSA-N 0 2 369.377 3.046 50 5 FGBALN COc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007708260 207202936 /nfs/dbraw/zinc/20/29/36/207202936.db2.gz CJPXPXZXAVVREQ-UHFFFAOYSA-N 0 2 372.786 3.066 50 5 FGBALN Cc1ccc(-c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]n2)cc1 ZINC000009912687 207289386 /nfs/dbraw/zinc/28/93/86/207289386.db2.gz SDVKXAPCXXKCHF-UHFFFAOYSA-N 0 2 372.406 3.403 50 5 FGBALN O=c1nc2n(-c3cccc(Cl)c3)c3cccc(Cl)c3cc-2c(=O)[nH]1 ZINC000002246077 493803501 /nfs/dbraw/zinc/80/35/01/493803501.db2.gz BCAQZMZNHADOKP-UHFFFAOYSA-N 0 2 358.184 3.486 50 5 FGBALN O=C([O-])[C@@H]1CS[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)[NH2+]1 ZINC000004974173 493905029 /nfs/dbraw/zinc/90/50/29/493905029.db2.gz AATLPWJCAZWWPS-TVQRCGJNSA-N 0 2 354.771 3.296 50 5 FGBALN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1Cl ZINC000004742290 207044823 /nfs/dbraw/zinc/04/48/23/207044823.db2.gz ZBDJZDNTZHRFCP-UHFFFAOYSA-N 0 2 356.787 3.199 50 5 FGBALN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000008683311 207240083 /nfs/dbraw/zinc/24/00/83/207240083.db2.gz UJLWFZLSSCSBHX-UHFFFAOYSA-N 0 2 365.349 3.131 50 5 FGBALN Cc1cccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000008683311 207240086 /nfs/dbraw/zinc/24/00/86/207240086.db2.gz UJLWFZLSSCSBHX-UHFFFAOYSA-N 0 2 365.349 3.131 50 5 FGBALN C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000253419363 132293710 /nfs/dbraw/zinc/29/37/10/132293710.db2.gz KIDVMPGUTDMFGC-BETUJISGSA-N 0 2 371.393 3.166 50 5 FGBALN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000007708223 207203792 /nfs/dbraw/zinc/20/37/92/207203792.db2.gz BLGMPHZDLQXMDO-UHFFFAOYSA-N 0 2 356.787 3.366 50 5 FGBALN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(CC2CC2)c2ccccc21 ZINC000170599193 132264529 /nfs/dbraw/zinc/26/45/29/132264529.db2.gz GHEFZHAGENGRPQ-UHFFFAOYSA-N 0 2 353.378 3.177 50 5 FGBALN COc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000021018449 494486439 /nfs/dbraw/zinc/48/64/39/494486439.db2.gz XGPGAWKBFGUHRO-UHFFFAOYSA-N 0 2 366.333 3.138 50 5 FGBALN O=c1c2sc3ccc([N+](=O)[O-])cc3c2[nH]c(=S)n1C[C@H]1CCCO1 ZINC000102724888 570836557 /nfs/dbraw/zinc/83/65/57/570836557.db2.gz UJOJMEUNUPRFLZ-SECBINFHSA-N 0 2 363.420 3.361 50 5 FGBALN COc1cc([N+](=O)[O-])ccc1NC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000021018441 211302641 /nfs/dbraw/zinc/30/26/41/211302641.db2.gz MHSKGXYORFWPEN-UHFFFAOYSA-N 0 2 366.333 3.138 50 5 FGBALN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019720318 210181888 /nfs/dbraw/zinc/18/18/88/210181888.db2.gz ZXNXJEVJKMJMBN-UHFFFAOYSA-N 0 2 359.813 3.206 50 5 FGBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001226890 210337315 /nfs/dbraw/zinc/33/73/15/210337315.db2.gz SOHBTEQKNABZAP-UHFFFAOYSA-N 0 2 357.185 3.158 50 5 FGBALN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000007708723 494037503 /nfs/dbraw/zinc/03/75/03/494037503.db2.gz LYTDLDKUGKBEHD-UHFFFAOYSA-N 0 2 374.321 3.006 50 5 FGBALN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000024868210 494673219 /nfs/dbraw/zinc/67/32/19/494673219.db2.gz WYOBHRWRLLUPET-UHFFFAOYSA-N 0 2 364.814 3.178 50 5 FGBALN O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000096013676 494996262 /nfs/dbraw/zinc/99/62/62/494996262.db2.gz IRLAYVQJIMIVOL-UHFFFAOYSA-N 0 2 355.375 3.354 50 5 FGBALN COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000005090906 539402185 /nfs/dbraw/zinc/40/21/85/539402185.db2.gz OMKLMZWHGOYMLY-UHFFFAOYSA-N 0 2 365.392 3.014 50 5 FGBALN Cc1cccc(-n2c3cc(Cl)ccc3cc3c(=O)[nH]c(=O)nc2-3)c1C ZINC000002253137 210386506 /nfs/dbraw/zinc/38/65/06/210386506.db2.gz ZDBXHBMRCYNQLT-UHFFFAOYSA-N 0 2 351.793 3.449 50 5 FGBALN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)cc1 ZINC000002874641 493823179 /nfs/dbraw/zinc/82/31/79/493823179.db2.gz ICZMCQCPGHUZRH-UHFFFAOYSA-N 0 2 354.409 3.126 50 5 FGBALN Cc1cc(NC2CCC(C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263547576 497798947 /nfs/dbraw/zinc/79/89/47/497798947.db2.gz IENVUQOHCVRFCD-UHFFFAOYSA-N 0 2 356.382 3.416 50 5 FGBALN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000002819082 493821095 /nfs/dbraw/zinc/82/10/95/493821095.db2.gz ZYZYAMCRTULXFT-UHFFFAOYSA-N 0 2 368.440 3.295 50 5 FGBALN COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000003833473 493857849 /nfs/dbraw/zinc/85/78/49/493857849.db2.gz IKVUKWFTBAOSFP-UHFFFAOYSA-N 0 2 350.396 3.329 50 5 FGBALN O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000225698192 497071614 /nfs/dbraw/zinc/07/16/14/497071614.db2.gz KYDGMXSXAHODRZ-UHFFFAOYSA-N 0 2 352.315 3.476 50 5 FGBALN Cc1ccc(C)c(-n2c3cccc(Cl)c3cc3c(=O)[nH]c(=O)nc2-3)c1 ZINC000002211234 493803467 /nfs/dbraw/zinc/80/34/67/493803467.db2.gz XUVODLHELVWMMC-UHFFFAOYSA-N 0 2 351.793 3.449 50 5 FGBALN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc([N+](=O)[O-])o1 ZINC000004107368 493865149 /nfs/dbraw/zinc/86/51/49/493865149.db2.gz VKZONGPEACBBCW-UHFFFAOYSA-N 0 2 354.322 3.369 50 5 FGBALN COc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000004582446 493883597 /nfs/dbraw/zinc/88/35/97/493883597.db2.gz BKQPCLFPOKGRLL-UHFFFAOYSA-N 0 2 356.787 3.366 50 5 FGBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007055966 493998093 /nfs/dbraw/zinc/99/80/93/493998093.db2.gz ISUXZXPXQYLAAC-UHFFFAOYSA-N 0 2 362.285 3.294 50 5 FGBALN O=c1nc2n(-c3ccccc3Cl)c3cc(Cl)ccc3cc-2c(=O)[nH]1 ZINC000002235941 493803442 /nfs/dbraw/zinc/80/34/42/493803442.db2.gz KGYAZOYAYRSQIE-UHFFFAOYSA-N 0 2 358.184 3.486 50 5 FGBALN CCOc1ccc2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000004954658 493903540 /nfs/dbraw/zinc/90/35/40/493903540.db2.gz QDHSEVDEAMFYJN-CMDGGOBGSA-N 0 2 353.334 3.106 50 5 FGBALN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000225554112 497067162 /nfs/dbraw/zinc/06/71/62/497067162.db2.gz NTRDGBFBOAJKAU-UHFFFAOYSA-N 0 2 360.750 3.197 50 5 FGBALN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000037183534 494102445 /nfs/dbraw/zinc/10/24/45/494102445.db2.gz AKBVJYMJLHNUDJ-CYBMUJFWSA-N 0 2 366.377 3.197 50 5 FGBALN O=c1nc2n(-c3ccc(Cl)cc3)c3cc(Cl)ccc3cc-2c(=O)[nH]1 ZINC000002247977 493803633 /nfs/dbraw/zinc/80/36/33/493803633.db2.gz FQCKGCLJKFRCJP-UHFFFAOYSA-N 0 2 358.184 3.486 50 5 FGBALN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1O)c1cc(=O)c2ccccc2o1 ZINC000004935232 204178532 /nfs/dbraw/zinc/17/85/32/204178532.db2.gz BBXDDUIUENEIJQ-UHFFFAOYSA-N 0 2 360.709 3.313 50 5 FGBALN CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC ZINC000007050884 206206632 /nfs/dbraw/zinc/20/66/32/206206632.db2.gz ICAXWYKJOJYLOE-UHFFFAOYSA-N 0 2 366.395 3.193 50 5 FGBALN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000007158985 206206820 /nfs/dbraw/zinc/20/68/20/206206820.db2.gz IPBAQPWZUSMVBA-UHFFFAOYSA-N 0 2 356.787 3.366 50 5 FGBALN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(F)cc3F)o2)[nH]1 ZINC000004502400 263333685 /nfs/dbraw/zinc/33/36/85/263333685.db2.gz JUEIOLTWCYMWNL-GORDUTHDSA-N 0 2 361.260 3.092 50 5 FGBALN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044399562 494355438 /nfs/dbraw/zinc/35/54/38/494355438.db2.gz VKCFQTICZWDKLW-VXGBXAGGSA-N 0 2 371.340 3.356 50 5 FGBALN COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc([N+](=O)[O-])c1O ZINC000019787659 494460311 /nfs/dbraw/zinc/46/03/11/494460311.db2.gz IWIZKRIMMZFCOT-UHFFFAOYSA-N 0 2 373.390 3.153 50 5 FGBALN O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000096012017 494996191 /nfs/dbraw/zinc/99/61/91/494996191.db2.gz UWCDZGVCGRFLIL-UHFFFAOYSA-N 0 2 369.146 3.383 50 5 FGBALN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000170601042 495532373 /nfs/dbraw/zinc/53/23/73/495532373.db2.gz CJLYUKHNPDAGJP-UHFFFAOYSA-N 0 2 354.362 3.239 50 5 FGBALN CC(C)(C)OC(=O)C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008468926 571047633 /nfs/dbraw/zinc/04/76/33/571047633.db2.gz CLUQSMYPGUXBGF-HSZRJFAPSA-N 0 2 353.318 3.063 50 5 FGBALN COc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000007323452 204295561 /nfs/dbraw/zinc/29/55/61/204295561.db2.gz ZMTKRDCILZFNBH-UHFFFAOYSA-N 0 2 366.395 3.030 50 5 FGBALN Cc1ccc(S(=O)(=O)Nc2nc3cc(C)c([N+](=O)[O-])cc3s2)cc1 ZINC000005557791 204214873 /nfs/dbraw/zinc/21/48/73/204214873.db2.gz LYQBOAYAPLJETB-UHFFFAOYSA-N 0 2 363.420 3.044 50 5 FGBALN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000000805410 206225016 /nfs/dbraw/zinc/22/50/16/206225016.db2.gz IJOGJMLEYZYNDI-UHFFFAOYSA-N 0 2 371.212 3.467 50 5 FGBALN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000044399557 494355252 /nfs/dbraw/zinc/35/52/52/494355252.db2.gz VKCFQTICZWDKLW-NEPJUHHUSA-N 0 2 371.340 3.356 50 5 FGBALN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NS(=O)(=O)c1ccccc1 ZINC000003464034 204102898 /nfs/dbraw/zinc/10/28/98/204102898.db2.gz LIWLURVONIHXNV-UHFFFAOYSA-N 0 2 372.406 3.198 50 5 FGBALN COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000001115767 493784929 /nfs/dbraw/zinc/78/49/29/493784929.db2.gz CFHVLNVQXFGSPJ-UHFFFAOYSA-N 0 2 350.396 3.329 50 5 FGBALN O=C(NCCCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000012696842 494250617 /nfs/dbraw/zinc/25/06/17/494250617.db2.gz NHBCMIULUPRECC-UHFFFAOYSA-N 0 2 357.391 3.273 50 5 FGBALN Cc1ccc(-n2c3cccc(Cl)c3cc3c(=O)[nH]c(=O)nc2-3)cc1C ZINC000008743486 204342061 /nfs/dbraw/zinc/34/20/61/204342061.db2.gz FDOGYUCVFKJAQQ-UHFFFAOYSA-N 0 2 351.793 3.449 50 5 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