smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Cl ZINC000009061838 204353335 /nfs/dbraw/zinc/35/33/35/204353335.db2.gz MIJRCGGTHSENOU-UHFFFAOYSA-N -2 1 369.826 3.628 50 0 FHAAML Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318207 206079772 /nfs/dbraw/zinc/07/97/72/206079772.db2.gz JHZLKYRJWUOOPC-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)cc1 ZINC000010512317 206279421 /nfs/dbraw/zinc/27/94/21/206279421.db2.gz CLNRQVMOIPMKSV-UHFFFAOYSA-N -2 1 359.428 3.914 50 0 FHAAML CCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000012536088 206292676 /nfs/dbraw/zinc/29/26/76/206292676.db2.gz RKSCVQXAKHVUJL-UHFFFAOYSA-N -2 1 353.827 3.792 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1F ZINC000023716809 568416727 /nfs/dbraw/zinc/41/67/27/568416727.db2.gz ZKBHHSHGHIQAQH-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000009002238 204352005 /nfs/dbraw/zinc/35/20/05/204352005.db2.gz OQQOVJQWMCDDLR-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C ZINC000008105475 206246669 /nfs/dbraw/zinc/24/66/69/206246669.db2.gz KRJSWCSINDPSSF-UHFFFAOYSA-N -2 1 357.790 3.595 50 0 FHAAML CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013078591 206299411 /nfs/dbraw/zinc/29/94/11/206299411.db2.gz IQONRWAEGUBVDD-UHFFFAOYSA-N -2 1 351.449 3.524 50 0 FHAAML CC(C)=CCC1=C([O-])C2=C([O-])C(=O)C(c3ccc(O)cc3)OC2=CC1=O ZINC000014762755 560097112 /nfs/dbraw/zinc/09/71/12/560097112.db2.gz TVMHBSODLWMMMV-UHFFFAOYSA-N -2 1 354.358 3.791 50 0 endogenous,in-man FHAAML CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12 ZINC000032601567 571058680 /nfs/dbraw/zinc/05/86/80/571058680.db2.gz UUQSQAWGJUQSSD-UHFFFAOYSA-N -2 1 371.414 3.738 50 0 FHAAML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000003340502 206233210 /nfs/dbraw/zinc/23/32/10/206233210.db2.gz ZMCQPKFVAFXADF-WEVVVXLNSA-N -2 1 351.811 3.547 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C ZINC000005133969 570775469 /nfs/dbraw/zinc/77/54/69/570775469.db2.gz LGXMUCZJIIRBSI-UHFFFAOYSA-N -2 1 353.827 3.764 50 0 FHAAML Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000058357655 571350886 /nfs/dbraw/zinc/35/08/86/571350886.db2.gz PMFIXKOHMPPZIQ-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318141 206079084 /nfs/dbraw/zinc/07/90/84/206079084.db2.gz KLQXSJSVEPWAFK-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000014097328 206309371 /nfs/dbraw/zinc/30/93/71/206309371.db2.gz RGHOECFQPQWASI-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1C ZINC000005133660 570588616 /nfs/dbraw/zinc/58/86/16/570588616.db2.gz YFKIPSVGQLRDKK-UHFFFAOYSA-N -2 1 355.415 3.956 50 0 FHAAML Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000013078352 570773474 /nfs/dbraw/zinc/77/34/74/570773474.db2.gz HQIBHVHULZHCAW-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000033047688 571121350 /nfs/dbraw/zinc/12/13/50/571121350.db2.gz LCALUXCCPXLEHW-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML CCCCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000007813987 206245832 /nfs/dbraw/zinc/24/58/32/206245832.db2.gz JYDLMZYTCACAQI-UHFFFAOYSA-N -2 1 361.463 3.847 50 0 FHAAML O=C([O-])c1ccc(CNCc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000013689653 570784994 /nfs/dbraw/zinc/78/49/94/570784994.db2.gz LZIXFQRNYIMZOI-UHFFFAOYSA-N -2 1 351.358 3.633 50 0 FHAAML CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000032601594 571058650 /nfs/dbraw/zinc/05/86/50/571058650.db2.gz XCLXSMUQNMABMQ-UHFFFAOYSA-N -2 1 371.414 3.738 50 0 FHAAML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000003227317 204082949 /nfs/dbraw/zinc/08/29/49/204082949.db2.gz IZEATXHGLJMWIR-RMKNXTFCSA-N -2 1 371.336 3.604 50 0 FHAAML CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000012605385 206293904 /nfs/dbraw/zinc/29/39/04/206293904.db2.gz VUUKPAYGVNIZKZ-UHFFFAOYSA-N -2 1 357.840 3.561 50 0 FHAAML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000012557206 206293943 /nfs/dbraw/zinc/29/39/43/206293943.db2.gz CLVRAYCWJMLSFH-JLHYYAGUSA-N -2 1 353.399 3.738 50 0 FHAAML Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1C(=O)[O-] ZINC000015347991 206314309 /nfs/dbraw/zinc/31/43/09/206314309.db2.gz VGSAZMQBYVEGFS-UHFFFAOYSA-N -2 1 373.402 3.809 50 0 FHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000888005 571123580 /nfs/dbraw/zinc/12/35/80/571123580.db2.gz MJINLPVCIKOFCV-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000036287672 204373096 /nfs/dbraw/zinc/37/30/96/204373096.db2.gz XIVVLFAUTMRRGK-XCVCLJGOSA-N -2 1 371.336 3.604 50 0 FHAAML Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000037238856 204561116 /nfs/dbraw/zinc/56/11/16/204561116.db2.gz HMMDNBLCFKPEGZ-UHFFFAOYSA-N -2 1 366.247 3.862 50 0 FHAAML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000084341009 205122868 /nfs/dbraw/zinc/12/28/68/205122868.db2.gz XSLUNGLKCIESGZ-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318205 206079617 /nfs/dbraw/zinc/07/96/17/206079617.db2.gz XPMKPYDLUWPUIA-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013342220 206301656 /nfs/dbraw/zinc/30/16/56/206301656.db2.gz VNCWJGQZEQCBLY-UHFFFAOYSA-N -2 1 353.827 3.962 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccccc32)c1C ZINC000005133624 570588601 /nfs/dbraw/zinc/58/86/01/570588601.db2.gz IDCTZNGEAFHFFX-UHFFFAOYSA-N -2 1 355.415 3.956 50 0 FHAAML CCCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000028051460 571026568 /nfs/dbraw/zinc/02/65/68/571026568.db2.gz OPJAJWGXEYCJNI-UHFFFAOYSA-N -2 1 369.826 3.628 50 0 FHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000032918508 571060102 /nfs/dbraw/zinc/06/01/02/571060102.db2.gz UONHUHLBHUDTKA-UHFFFAOYSA-N -2 1 371.389 3.992 50 0 FHAAML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012526046 571174237 /nfs/dbraw/zinc/17/42/37/571174237.db2.gz ZEEFTWAMNIZZPX-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000032601649 571308430 /nfs/dbraw/zinc/30/84/30/571308430.db2.gz POTOJALKNHSJEB-UHFFFAOYSA-N -2 1 371.414 3.738 50 0 FHAAML CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000057996784 568304795 /nfs/dbraw/zinc/30/47/95/568304795.db2.gz SLHWCVBLZZZIEQ-UHFFFAOYSA-N -2 1 353.827 3.792 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1 ZINC000003884720 570570286 /nfs/dbraw/zinc/57/02/86/570570286.db2.gz SJGLSXQBPIJTSK-UHFFFAOYSA-N -2 1 359.375 3.500 50 0 FHAAML Cc1c(Br)c([O-])c(Br)c([O-])c1Br ZINC000000640795 571130752 /nfs/dbraw/zinc/13/07/52/571130752.db2.gz LGNJOSCBEAIVNB-UHFFFAOYSA-N -2 1 360.827 3.694 50 0 FHAAML CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21 ZINC000063476070 571170474 /nfs/dbraw/zinc/17/04/74/571170474.db2.gz PDFNHIKPFPPXCW-UHFFFAOYSA-N -2 1 372.446 3.796 50 0 FHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000007708248 571286179 /nfs/dbraw/zinc/28/61/79/571286179.db2.gz GIKCUINIECOPPQ-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)[O-])c3c2)cc1 ZINC000004660892 207035140 /nfs/dbraw/zinc/03/51/40/207035140.db2.gz HENRGIXNZGQUPE-UHFFFAOYSA-N -2 1 359.403 3.803 50 0 FHAAML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000013278883 571323198 /nfs/dbraw/zinc/32/31/98/571323198.db2.gz ULMKORFZJILWFG-UHFFFAOYSA-N -2 1 351.449 3.524 50 0 FHAAML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000058370568 571131704 /nfs/dbraw/zinc/13/17/04/571131704.db2.gz NYYFCCIFTGRMCB-UHFFFAOYSA-N -2 1 371.867 3.869 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(Cl)c1Cl ZINC000058488275 571133319 /nfs/dbraw/zinc/13/33/19/571133319.db2.gz QKFOUPAUKSYXTD-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C ZINC000006509186 571206189 /nfs/dbraw/zinc/20/61/89/571206189.db2.gz CQYVFJIRVFCASP-UHFFFAOYSA-N -2 1 353.827 3.764 50 0 FHAAML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000014097288 571271687 /nfs/dbraw/zinc/27/16/87/571271687.db2.gz HZRGKIMRJWTHBI-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000047318178 209328036 /nfs/dbraw/zinc/32/80/36/209328036.db2.gz KEWNTZZFULXJSG-UHFFFAOYSA-N -2 1 361.806 3.992 50 0 FHAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000888009 570462804 /nfs/dbraw/zinc/46/28/04/570462804.db2.gz DYAJQJOKLKIBDB-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000003186063 570553950 /nfs/dbraw/zinc/55/39/50/570553950.db2.gz RXJZUNUPHJTJNO-UHFFFAOYSA-N -2 1 359.375 3.500 50 0 FHAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000005134121 570588683 /nfs/dbraw/zinc/58/86/83/570588683.db2.gz SACQCMSCGQBHDS-UHFFFAOYSA-N -2 1 374.245 3.811 50 0 FHAAML O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000010319182 571124906 /nfs/dbraw/zinc/12/49/06/571124906.db2.gz DSQDCKCUXUVXIF-UHFFFAOYSA-N -2 1 374.853 3.509 50 0 FHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC000003361136 206973833 /nfs/dbraw/zinc/97/38/33/206973833.db2.gz JIDLQVJSXXNSMO-UHFFFAOYSA-N -2 1 367.426 3.776 50 0 FHAAML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000075582005 208197228 /nfs/dbraw/zinc/19/72/28/208197228.db2.gz JHTZNTIRJFUNEV-UHFFFAOYSA-N -2 1 359.325 3.571 50 0 FHAAML O=C([N-]n1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S)c1ccco1 ZINC000017075714 570867360 /nfs/dbraw/zinc/86/73/60/570867360.db2.gz MEZXXEIFNADXDQ-UHFFFAOYSA-N -2 1 369.427 3.764 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C ZINC000008508584 571048976 /nfs/dbraw/zinc/04/89/76/571048976.db2.gz MSTGOALKMQQMBR-UHFFFAOYSA-N -2 1 353.827 3.764 50 0 FHAAML Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C(=O)[O-])o2)cc1 ZINC000226353536 571340830 /nfs/dbraw/zinc/34/08/30/571340830.db2.gz GTGUOXIOFWCKDU-UHFFFAOYSA-N -2 1 357.387 3.754 50 0 FHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000003291522 571346759 /nfs/dbraw/zinc/34/67/59/571346759.db2.gz NFFFXPZENJBKRP-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2o1 ZINC000032097486 208026277 /nfs/dbraw/zinc/02/62/77/208026277.db2.gz LUPIGFNACCYJRP-UHFFFAOYSA-N -2 1 374.418 3.624 50 0 FHAAML Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000032601645 208031950 /nfs/dbraw/zinc/03/19/50/208031950.db2.gz XHKCFLMTOQXWKH-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1Cl ZINC000078938563 208208241 /nfs/dbraw/zinc/20/82/41/208208241.db2.gz DPCQSAFFVSNXGS-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000046303792 208363769 /nfs/dbraw/zinc/36/37/69/208363769.db2.gz VQYAUZQXXJKSOA-UHFFFAOYSA-N -2 1 374.418 3.624 50 0 FHAAML O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc4ccccc43)c1)CCC2 ZINC000069420227 571098108 /nfs/dbraw/zinc/09/81/08/571098108.db2.gz JGLUCSLXIZKHHI-UHFFFAOYSA-N -2 1 367.426 3.828 50 0 FHAAML CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000005133573 570588436 /nfs/dbraw/zinc/58/84/36/570588436.db2.gz BKVWMBVKESCOPY-UHFFFAOYSA-N -2 1 351.449 3.524 50 0 FHAAML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1C ZINC000005133732 570588611 /nfs/dbraw/zinc/58/86/11/570588611.db2.gz ODGZONGJFOUNNO-UHFFFAOYSA-N -2 1 373.352 3.821 50 0 FHAAML CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cc1 ZINC000079066346 571326818 /nfs/dbraw/zinc/32/68/18/571326818.db2.gz MESWZQYARQQMEB-UHFFFAOYSA-N -2 1 369.826 3.546 50 0 FHAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000008104968 571358947 /nfs/dbraw/zinc/35/89/47/571358947.db2.gz AHIWSKGZXJNNOG-UHFFFAOYSA-N -2 1 355.415 3.658 50 0 FHAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000012605578 220013309 /nfs/dbraw/zinc/01/33/09/220013309.db2.gz XYJQIOJCCSMCRM-UHFFFAOYSA-N -2 1 373.352 3.523 50 0 FHAAML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1Cl ZINC000047318107 570885800 /nfs/dbraw/zinc/88/58/00/570885800.db2.gz HWUOFBHQIJZNQS-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000007708307 571286129 /nfs/dbraw/zinc/28/61/29/571286129.db2.gz MHNISNOFHDJOMH-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000058431681 221119450 /nfs/dbraw/zinc/11/94/50/221119450.db2.gz QJQRSIWUXYHKTO-UHFFFAOYSA-N -2 1 351.399 3.622 50 0 FHAAML CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000007745946 571287863 /nfs/dbraw/zinc/28/78/63/571287863.db2.gz LFWZEKXWMRXSSJ-UHFFFAOYSA-N -2 1 351.449 3.524 50 0 FHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000007708190 219819085 /nfs/dbraw/zinc/81/90/85/219819085.db2.gz HZCKSCTXLRCFPD-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013464625 220068581 /nfs/dbraw/zinc/06/85/81/220068581.db2.gz QWDGODFZVIRJMB-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000037225800 211060479 /nfs/dbraw/zinc/06/04/79/211060479.db2.gz UHJWJLRVVWQUPT-UHFFFAOYSA-N -2 1 366.247 3.862 50 0 FHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1 ZINC000012535922 210966885 /nfs/dbraw/zinc/96/68/85/210966885.db2.gz KUCPKFUZTUKLIJ-UHFFFAOYSA-N -2 1 361.419 3.507 50 0 FHAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000002633039 570526656 /nfs/dbraw/zinc/52/66/56/570526656.db2.gz LVDGNNPNKCSKFC-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl ZINC000003198700 570554407 /nfs/dbraw/zinc/55/44/07/570554407.db2.gz VCKGEUQEYFBEPU-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000032601651 571058741 /nfs/dbraw/zinc/05/87/41/571058741.db2.gz KULMRMPKELUUKN-UHFFFAOYSA-N -2 1 361.806 3.992 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1 ZINC000007057555 571259660 /nfs/dbraw/zinc/25/96/60/571259660.db2.gz HTSQBDLUGABSAB-UHFFFAOYSA-N -2 1 367.426 3.776 50 0 FHAAML CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000062640786 221140037 /nfs/dbraw/zinc/14/00/37/221140037.db2.gz IINJCLADFHOZGI-UHFFFAOYSA-N -2 1 373.352 3.767 50 0 FHAAML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1 ZINC000096931287 222142272 /nfs/dbraw/zinc/14/22/72/222142272.db2.gz HEHNQVPRIDCTQB-BAQGIRSFSA-N -2 1 359.428 3.800 50 0 FHAAML O=C([O-])c1cc(Cl)cc(Cl)c1[N-]S(=O)(=O)c1ccccc1F ZINC000003335172 570560893 /nfs/dbraw/zinc/56/08/93/570560893.db2.gz ZLAJEUNNFGHYBJ-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000032601564 570953063 /nfs/dbraw/zinc/95/30/63/570953063.db2.gz AXKTYNROMLHFFS-UHFFFAOYSA-N -2 1 361.806 3.992 50 0 FHAAML Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000058354961 221115482 /nfs/dbraw/zinc/11/54/82/221115482.db2.gz BOVXBIFXJAAFGK-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000095946192 570471696 /nfs/dbraw/zinc/47/16/96/570471696.db2.gz IRZFKGVOPCLPJZ-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000007057203 571259706 /nfs/dbraw/zinc/25/97/06/571259706.db2.gz SDCRGOPIESVPPT-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000012773858 220028358 /nfs/dbraw/zinc/02/83/58/220028358.db2.gz BZPYLQXQEDORKU-UHFFFAOYSA-N -2 1 353.399 3.853 50 0 FHAAML O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000058330067 221115171 /nfs/dbraw/zinc/11/51/71/221115171.db2.gz KRRGZAMITYAXSX-UHFFFAOYSA-N -2 1 363.341 3.617 50 0 FHAAML Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000003186054 570553941 /nfs/dbraw/zinc/55/39/41/570553941.db2.gz SDCKTRXYNWWKLT-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML CCCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000009061839 570691222 /nfs/dbraw/zinc/69/12/22/570691222.db2.gz AKOCMYIBCVBULD-UHFFFAOYSA-N -2 1 369.826 3.628 50 0 FHAAML O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000003319733 571347322 /nfs/dbraw/zinc/34/73/22/571347322.db2.gz CZYCQZZEHHXUJT-UHFFFAOYSA-N -2 1 361.806 3.992 50 0 FHAAML Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000006714184 601316562 /nfs/dbraw/zinc/31/65/62/601316562.db2.gz ZMCQPKFVAFXADF-UITAMQMPSA-N -2 1 351.811 3.547 50 0 FHAAML CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000013033077 220054870 /nfs/dbraw/zinc/05/48/70/220054870.db2.gz VHFFOGQISAUXBI-UHFFFAOYSA-N -2 1 357.840 3.561 50 0 FHAAML Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000058421362 221118126 /nfs/dbraw/zinc/11/81/26/221118126.db2.gz TYTDXYQVJRAMHE-UHFFFAOYSA-N -2 1 360.218 3.801 50 0 FHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1 ZINC000032918507 571060140 /nfs/dbraw/zinc/06/01/40/571060140.db2.gz CRRYKTZLRSKPNR-UHFFFAOYSA-N -2 1 371.389 3.992 50 0 FHAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1Cl ZINC000078938638 571152970 /nfs/dbraw/zinc/15/29/70/571152970.db2.gz MMQOKDOPTPKFCR-UHFFFAOYSA-N -2 1 361.753 3.777 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3sccc3c2)ccc1F ZINC000013454034 220068199 /nfs/dbraw/zinc/06/81/99/220068199.db2.gz NKOFZGUHGGDYAQ-UHFFFAOYSA-N -2 1 351.380 3.539 50 0 FHAAML Cc1oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)[O-] ZINC000005234931 570638469 /nfs/dbraw/zinc/63/84/69/570638469.db2.gz REQRYHBGVXYGHI-UHFFFAOYSA-N -2 1 359.403 3.857 50 0 FHAAML CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318113 570885894 /nfs/dbraw/zinc/88/58/94/570885894.db2.gz KTUZALKXTBMKTG-UHFFFAOYSA-N -2 1 353.827 3.962 50 0 FHAAML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000058394328 571131924 /nfs/dbraw/zinc/13/19/24/571131924.db2.gz BCLANNYBKYCJKF-UHFFFAOYSA-N -2 1 371.867 3.869 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1F ZINC000007057200 571259664 /nfs/dbraw/zinc/25/96/64/571259664.db2.gz ADQSQIKOSIVSHI-UHFFFAOYSA-N -2 1 371.389 3.992 50 0 FHAAML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000004641459 219592181 /nfs/dbraw/zinc/59/21/81/219592181.db2.gz GLXKIRZLTZWZTG-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000032601596 571058708 /nfs/dbraw/zinc/05/87/08/571058708.db2.gz ZWYGWUPUQUVVGA-UHFFFAOYSA-N -2 1 361.806 3.992 50 0 FHAAML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3sccc3c2)cc1 ZINC000013454027 220068798 /nfs/dbraw/zinc/06/87/98/220068798.db2.gz HEHNQVPRIDCTQB-FPYGCLRLSA-N -2 1 359.428 3.800 50 0 FHAAML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013464563 220068923 /nfs/dbraw/zinc/06/89/23/220068923.db2.gz DNWXJQJCUWGJPQ-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000058370863 221116174 /nfs/dbraw/zinc/11/61/74/221116174.db2.gz MXJGWSKQDORBHU-UHFFFAOYSA-N -2 1 371.867 3.869 50 0 FHAAML Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2)cs1 ZINC000006581674 571210624 /nfs/dbraw/zinc/21/06/24/571210624.db2.gz BOTQKGKOMVUYMM-UHFFFAOYSA-N -2 1 374.443 3.618 50 0 FHAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1Cl ZINC000012864664 220037104 /nfs/dbraw/zinc/03/71/04/220037104.db2.gz IJDZGKUCHMDRJH-UHFFFAOYSA-N -2 1 364.181 3.632 50 0 FHAAML O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000019994091 220309406 /nfs/dbraw/zinc/30/94/06/220309406.db2.gz CSHQWJSKMZIQLW-UHFFFAOYSA-N -2 1 352.220 3.554 50 0 FHAAML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000096742793 222129025 /nfs/dbraw/zinc/12/90/25/222129025.db2.gz AFZDHUBWROYKID-UTCJRWHESA-N -2 1 372.229 3.892 50 0 FHAAML Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)[O-] ZINC000004660894 570599317 /nfs/dbraw/zinc/59/93/17/570599317.db2.gz UZVVWRBCUSWUON-UHFFFAOYSA-N -2 1 365.794 3.894 50 0 in-vitro FHAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000012521411 220002071 /nfs/dbraw/zinc/00/20/71/220002071.db2.gz HBYQXBCGSWWSFH-UHFFFAOYSA-N -2 1 359.325 3.513 50 0 FHAAML