smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1OC ZINC000026538986 539789137 /nfs/dbraw/zinc/78/91/37/539789137.db2.gz KMHZVPBOTZWSEO-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2C[C@H]1C ZINC000009338409 204364830 /nfs/dbraw/zinc/36/48/30/204364830.db2.gz SDIKEUQXBJLQRM-LLVKDONJSA-N -2 1 374.418 2.483 50 0 FEAAML Cc1cc(C(=O)NC(C)(C)CCc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174548954 206287674 /nfs/dbraw/zinc/28/76/74/206287674.db2.gz LTGLYMHLUDUKLT-UHFFFAOYSA-N -2 1 366.421 2.473 50 0 FEAAML CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000013079218 206299433 /nfs/dbraw/zinc/29/94/33/206299433.db2.gz AFOLZGYYQVMTHY-UHFFFAOYSA-N -2 1 362.407 2.162 50 0 FEAAML CCCc1cc(=O)n(-c2ccc(C(=O)N3CCC(C)(C(=O)[O-])CC3)cc2)[n-]1 ZINC000299801165 553616574 /nfs/dbraw/zinc/61/65/74/553616574.db2.gz VHHGPSQBUCCBMJ-UHFFFAOYSA-N -2 1 371.437 2.445 50 0 FEAAML CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000677995966 598083062 /nfs/dbraw/zinc/08/30/62/598083062.db2.gz CBWBCVGOAIHIKQ-UHFFFAOYSA-N -2 1 355.391 2.183 50 0 FEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)nc1 ZINC000026539697 539789026 /nfs/dbraw/zinc/78/90/26/539789026.db2.gz AJZXIYVOMYGWLI-UHFFFAOYSA-N -2 1 358.379 2.075 50 0 FEAAML Cc1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc12 ZINC000010274235 204393649 /nfs/dbraw/zinc/39/36/49/204393649.db2.gz PKCGUTABCSBXLF-UHFFFAOYSA-N -2 1 358.375 2.336 50 0 FEAAML CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-] ZINC000002099191 206153229 /nfs/dbraw/zinc/15/32/29/206153229.db2.gz STNXFILTVQCXMN-QGHHPUGFSA-N -2 1 361.394 2.355 50 0 biogenic FEAAML Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151449359 544543241 /nfs/dbraw/zinc/54/32/41/544543241.db2.gz OVELZVGHNZJEKI-LBPRGKRZSA-N -2 1 352.394 2.083 50 0 FEAAML O=C([O-])CSCC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000633915 539331647 /nfs/dbraw/zinc/33/16/47/539331647.db2.gz CPCLWFQECRCXSW-UHFFFAOYSA-N -2 1 365.432 2.488 50 0 FEAAML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C ZINC000032596959 539944519 /nfs/dbraw/zinc/94/45/19/539944519.db2.gz HXVWFWODQSRTJP-UHFFFAOYSA-N -2 1 360.391 2.013 50 0 FEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1 ZINC000012560662 204475179 /nfs/dbraw/zinc/47/51/79/204475179.db2.gz QLKUQRFYKYFGBX-UHFFFAOYSA-N -2 1 360.391 2.312 50 0 FEAAML CCCN(Cc1ccccc1)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000154781797 326768906 /nfs/dbraw/zinc/76/89/06/326768906.db2.gz YPSSTJYUWIOMEL-UHFFFAOYSA-N -2 1 352.394 2.385 50 0 FEAAML COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1OC ZINC000047202357 206079023 /nfs/dbraw/zinc/07/90/23/206079023.db2.gz SLOYLOCGVQUUJG-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000013345269 206301501 /nfs/dbraw/zinc/30/15/01/206301501.db2.gz MPBWPGOKNKLPKZ-FPYGCLRLSA-N -2 1 361.375 2.356 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000008720299 204341725 /nfs/dbraw/zinc/34/17/25/204341725.db2.gz IUEASCODNFWWHT-UHFFFAOYSA-N -2 1 362.407 2.000 50 0 FEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc2c1OCCO2 ZINC000057115832 205236052 /nfs/dbraw/zinc/23/60/52/205236052.db2.gz AFTQENKOJNJRIJ-UHFFFAOYSA-N -2 1 371.317 2.235 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000002158039 206152567 /nfs/dbraw/zinc/15/25/67/206152567.db2.gz NSTZDWNJRDSQJA-GOSISDBHSA-N -2 1 367.357 2.292 50 0 biogenic FEAAML O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1)OCCCO2 ZINC000013186483 539584491 /nfs/dbraw/zinc/58/44/91/539584491.db2.gz BNOSZSNADOALNT-UHFFFAOYSA-N -2 1 367.354 2.486 50 0 FEAAML COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012816199 206296500 /nfs/dbraw/zinc/29/65/00/206296500.db2.gz UGKUWEFKJJEJQC-UHFFFAOYSA-N -2 1 353.327 2.111 50 0 FEAAML CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013362342 206301981 /nfs/dbraw/zinc/30/19/81/206301981.db2.gz SWVJSENQRWRARH-UHFFFAOYSA-N -2 1 352.343 2.283 50 0 FEAAML CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000023053300 206398992 /nfs/dbraw/zinc/39/89/92/206398992.db2.gz SDXDJGZSHSBWDT-UHFFFAOYSA-N -2 1 352.343 2.283 50 0 FEAAML CCCC[C@@H](NC(=O)Cc1c(C)c2c([O-])cc(C)cc2oc1=O)C(=O)[O-] ZINC000020412549 539674161 /nfs/dbraw/zinc/67/41/61/539674161.db2.gz QSEXFRAUXUBYPQ-CYBMUJFWSA-N -2 1 361.394 2.418 50 0 FEAAML CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c([O-])cc(C)cc2oc1=O)C(=O)[O-] ZINC000020610094 539675585 /nfs/dbraw/zinc/67/55/85/539675585.db2.gz XYUOOKWIMSDRCG-QGHHPUGFSA-N -2 1 361.394 2.273 50 0 FEAAML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000060800182 541121822 /nfs/dbraw/zinc/12/18/22/541121822.db2.gz IQJNOGQUQISBDK-UHFFFAOYSA-N -2 1 367.354 2.404 50 0 FEAAML O=C([O-])c1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000013626020 220079369 /nfs/dbraw/zinc/07/93/69/220079369.db2.gz FKOQCQLRMMLTHQ-UHFFFAOYSA-N -2 1 359.407 2.078 50 0 FEAAML COc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc(C(=O)[O-])c1OC ZINC000045946242 209328227 /nfs/dbraw/zinc/32/82/27/209328227.db2.gz IWMYSFOYFKNGHT-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000042793295 209265626 /nfs/dbraw/zinc/26/56/26/209265626.db2.gz PQAFUFFMNFZKFL-UHFFFAOYSA-N -2 1 362.407 2.196 50 0 FEAAML CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)[nH]n1 ZINC000079111595 542500970 /nfs/dbraw/zinc/50/09/70/542500970.db2.gz LDLKTTKDMFCAME-UHFFFAOYSA-N -2 1 353.400 2.260 50 0 FEAAML O=C([O-])c1ccc(COc2ccccc2C=C2NC(=S)[N-]C2=O)cc1 ZINC000003273978 539362078 /nfs/dbraw/zinc/36/20/78/539362078.db2.gz QXVRTLXUYOKUKO-ZROIWOOFSA-N -2 1 354.387 2.309 50 0 FEAAML COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000007053852 539445611 /nfs/dbraw/zinc/44/56/11/539445611.db2.gz RSIBKDDMAFJMLH-UHFFFAOYSA-N -2 1 367.379 2.211 50 0 FEAAML O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000096736548 209891561 /nfs/dbraw/zinc/89/15/61/209891561.db2.gz MPBWPGOKNKLPKZ-BAQGIRSFSA-N -2 1 361.375 2.356 50 0 FEAAML Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccco3)o2)P(=O)([O-])[O-])cc1 ZINC000041154239 208283282 /nfs/dbraw/zinc/28/32/82/208283282.db2.gz LJXSGXKJQJYMLX-OAHLLOKOSA-N -2 1 363.266 2.244 50 0 FEAAML COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000048332707 570946931 /nfs/dbraw/zinc/94/69/31/570946931.db2.gz DMNIHLJYMVQTMZ-UHFFFAOYSA-N -2 1 357.334 2.401 50 0 FEAAML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262773041 328888558 /nfs/dbraw/zinc/88/85/58/328888558.db2.gz MQHAAPCBTNHQDA-CYBMUJFWSA-N -2 1 357.410 2.386 50 0 FEAAML CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc21 ZINC000013029317 207449695 /nfs/dbraw/zinc/44/96/95/207449695.db2.gz FDDGUXFEWROJTM-UHFFFAOYSA-N -2 1 374.418 2.403 50 0 FEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nncn2C)cc1 ZINC000032833702 208048030 /nfs/dbraw/zinc/04/80/30/208048030.db2.gz OSQMCUWYGVQPCD-UHFFFAOYSA-N -2 1 372.406 2.290 50 0 FEAAML COc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc(C(=O)[O-])c1OC ZINC000045946259 209328928 /nfs/dbraw/zinc/32/89/28/209328928.db2.gz WWVSZTAUEXNLTO-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC000003129732 539359746 /nfs/dbraw/zinc/35/97/46/539359746.db2.gz JAGRWTLXHSHWRT-UHFFFAOYSA-N -3 1 370.770 2.119 50 0 FEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1 ZINC000031722541 539917053 /nfs/dbraw/zinc/91/70/53/539917053.db2.gz VXTYMCRYHVZKRC-UHFFFAOYSA-N -2 1 357.391 2.430 50 0 FEAAML Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000006859742 207172180 /nfs/dbraw/zinc/17/21/80/207172180.db2.gz TUTKSZFUKVCFOF-UHFFFAOYSA-N -2 1 371.827 2.224 50 0 FEAAML Cc1cc(C(=O)NCC2(c3ccccc3)CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000154754248 326768055 /nfs/dbraw/zinc/76/80/55/326768055.db2.gz KBHUEHKDRGAGBL-UHFFFAOYSA-N -2 1 364.405 2.184 50 0 FEAAML Cc1cc([O-])c2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000011865461 210900427 /nfs/dbraw/zinc/90/04/27/210900427.db2.gz WWHBUEWQELPWCK-CYBMUJFWSA-N -2 1 361.394 2.273 50 0 FEAAML CCCC[C@@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-] ZINC000002108242 210379954 /nfs/dbraw/zinc/37/99/54/210379954.db2.gz ZXOHMCLAHRPJCP-OAHLLOKOSA-N -2 1 361.394 2.499 50 0 biogenic FEAAML CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2c([O-])cc(C)cc2oc1=O)C(=O)[O-] ZINC000011865462 539537136 /nfs/dbraw/zinc/53/71/36/539537136.db2.gz XYUOOKWIMSDRCG-DYZYQPBXSA-N -2 1 361.394 2.273 50 0 FEAAML COc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1[N-]S(C)(=O)=O ZINC000032772015 539951740 /nfs/dbraw/zinc/95/17/40/539951740.db2.gz YWHAUWDNWDMTTC-UHFFFAOYSA-N -2 1 370.427 2.040 50 0 FEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2Cn2cccn2)c1 ZINC000040088149 540005624 /nfs/dbraw/zinc/00/56/24/540005624.db2.gz UBNDOKOMOADRCA-UHFFFAOYSA-N -2 1 357.391 2.430 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002158037 210381567 /nfs/dbraw/zinc/38/15/67/210381567.db2.gz NSTZDWNJRDSQJA-SFHVURJKSA-N -2 1 367.357 2.292 50 0 biogenic FEAAML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1 ZINC000008104653 219846623 /nfs/dbraw/zinc/84/66/23/219846623.db2.gz IXVFHYWSOKNFKC-UHFFFAOYSA-N -2 1 363.391 2.276 50 0 FEAAML O=C([O-])c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000002627774 539349761 /nfs/dbraw/zinc/34/97/61/539349761.db2.gz HZWUWYUGWFLYHH-CYBMUJFWSA-N -2 1 361.423 2.197 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000008765390 539491610 /nfs/dbraw/zinc/49/16/10/539491610.db2.gz ZYJSKUDZSUQKAS-UHFFFAOYSA-N -2 1 374.374 2.072 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000025369161 539757561 /nfs/dbraw/zinc/75/75/61/539757561.db2.gz YIXBFCMCCDJITE-UHFFFAOYSA-N -2 1 362.407 2.196 50 0 FEAAML Cc1cc([O-])c2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1 ZINC000020609895 220336531 /nfs/dbraw/zinc/33/65/31/220336531.db2.gz WWHBUEWQELPWCK-ZDUSSCGKSA-N -2 1 361.394 2.273 50 0 FEAAML Cc1cc([O-])c2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1 ZINC000020412582 525324293 /nfs/dbraw/zinc/32/42/93/525324293.db2.gz WHCQSOWJJSADFA-UHFFFAOYSA-N -2 1 361.394 2.419 50 0 FEAAML Cc1cccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)c1 ZINC000032080988 539928138 /nfs/dbraw/zinc/92/81/38/539928138.db2.gz KGGPBEVNUPQNII-CYBMUJFWSA-N -2 1 374.418 2.233 50 0 FEAAML CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000253424442 549688748 /nfs/dbraw/zinc/68/87/48/549688748.db2.gz GEJMFUWMFZTZBP-UHFFFAOYSA-N -2 1 370.814 2.480 50 0 FEAAML CCOc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397733 539981772 /nfs/dbraw/zinc/98/17/72/539981772.db2.gz QVBPTQUQVMWRTK-UHFFFAOYSA-N -2 1 365.411 2.045 50 0 FEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000021631747 220361210 /nfs/dbraw/zinc/36/12/10/220361210.db2.gz OCRBOKVIGJHBNI-UHFFFAOYSA-N -2 1 360.391 2.312 50 0 FEAAML CCn1c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S ZINC000002144999 539345839 /nfs/dbraw/zinc/34/58/39/539345839.db2.gz IQROFDNPECNEHP-LLVKDONJSA-N -2 1 364.379 2.321 50 0 biogenic FEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c1 ZINC000012604638 220013903 /nfs/dbraw/zinc/01/39/03/220013903.db2.gz IRFZARJWHQRUHE-UHFFFAOYSA-N -2 1 360.391 2.078 50 0 FEAAML CCCC[C@H](NC(=O)Cc1c(C)c2c([O-])cc(C)cc2oc1=O)C(=O)[O-] ZINC000020412552 220325979 /nfs/dbraw/zinc/32/59/79/220325979.db2.gz QSEXFRAUXUBYPQ-ZDUSSCGKSA-N -2 1 361.394 2.418 50 0 FEAAML Cc1ccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)cc1F ZINC000057115891 221083709 /nfs/dbraw/zinc/08/37/09/221083709.db2.gz UEPRGNLEZMUBBH-UHFFFAOYSA-N -2 1 367.354 2.404 50 0 FEAAML CC(C)c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000670448490 571351621 /nfs/dbraw/zinc/35/16/21/571351621.db2.gz SDVVULIZKRCKTJ-MRVPVSSYSA-N -2 1 357.363 2.070 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000008879922 539493828 /nfs/dbraw/zinc/49/38/28/539493828.db2.gz AASNJZKAXNNCFH-LBPRGKRZSA-N -2 1 359.378 2.063 50 0 FEAAML Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC000003833246 539373199 /nfs/dbraw/zinc/37/31/99/539373199.db2.gz JYSOXSKGHTYTRW-UHFFFAOYSA-N -3 1 370.770 2.119 50 0 FEAAML COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000285129747 551708531 /nfs/dbraw/zinc/70/85/31/551708531.db2.gz NURKMFGELSDWPO-UHFFFAOYSA-N -2 1 350.396 2.253 50 0 FEAAML COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000013358534 220064772 /nfs/dbraw/zinc/06/47/72/220064772.db2.gz DDELGMCWQKSMIQ-UHFFFAOYSA-N -2 1 350.396 2.260 50 0 FEAAML COc1cc2[n-]c([O-])c(C(=O)NCc3ccccc3)c(=O)c2cc1OC ZINC000017029029 220200267 /nfs/dbraw/zinc/20/02/67/220200267.db2.gz KGOUPEHRNZQCAY-UHFFFAOYSA-N -2 1 354.362 2.181 50 0 FEAAML O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc(F)c1)OCCO2 ZINC000012541714 220005107 /nfs/dbraw/zinc/00/51/07/220005107.db2.gz DXIAXMIKMCCCNB-UHFFFAOYSA-N -2 1 353.327 2.096 50 0 FEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc2c1OCCO2 ZINC000057115615 221083842 /nfs/dbraw/zinc/08/38/42/221083842.db2.gz RMNIQUPRYCECBQ-UHFFFAOYSA-N -2 1 353.327 2.096 50 0 FEAAML O=C([O-])CN1C(=O)S/C(=C/c2ccc([O-])c(Br)c2)C1=O ZINC000004689268 539390179 /nfs/dbraw/zinc/39/01/79/539390179.db2.gz BESZCPDOQKPGFF-RUDMXATFSA-N -2 1 358.169 2.276 50 0 FEAAML O=C([O-])c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])c1 ZINC000002627773 204048243 /nfs/dbraw/zinc/04/82/43/204048243.db2.gz HZWUWYUGWFLYHH-ZDUSSCGKSA-N -2 1 361.423 2.197 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000002107060 206152450 /nfs/dbraw/zinc/15/24/50/206152450.db2.gz HFAPOHYQUXSMQS-OAHLLOKOSA-N -2 1 359.378 2.205 50 0 biogenic FEAAML COc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)c(F)c2)cc1C(=O)[O-] ZINC000055682017 205223569 /nfs/dbraw/zinc/22/35/69/205223569.db2.gz IQRVFTOHMLGLBU-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1)OCCO2 ZINC000012548399 206294178 /nfs/dbraw/zinc/29/41/78/206294178.db2.gz DZXUCBDBWWMOOS-UHFFFAOYSA-N -2 1 353.327 2.096 50 0 FEAAML Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)[O-])c3c2)c1 ZINC000003280973 204087254 /nfs/dbraw/zinc/08/72/54/204087254.db2.gz FYMMPGWOEJBHLK-UHFFFAOYSA-N -2 1 358.375 2.336 50 0 FEAAML CCN(Cc1ccccc1C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000081247966 325165333 /nfs/dbraw/zinc/16/53/33/325165333.db2.gz QNSGOTFGPNIGSA-UHFFFAOYSA-N -2 1 352.394 2.303 50 0 FEAAML CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000032631923 539946134 /nfs/dbraw/zinc/94/61/34/539946134.db2.gz PGNRBDNRUYQZEU-UHFFFAOYSA-N -2 1 362.407 2.162 50 0 FEAAML COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000047383489 206080897 /nfs/dbraw/zinc/08/08/97/206080897.db2.gz CAFTZDLBEBAIFM-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML COc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1OC ZINC000079044926 542495314 /nfs/dbraw/zinc/49/53/14/542495314.db2.gz YYUDOPJOBHSEHP-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML Cc1occc1C(=O)Nn1c(=O)c2c(C)c(C(=O)[O-])sc2[n-]c1=S ZINC000017075049 539639260 /nfs/dbraw/zinc/63/92/60/539639260.db2.gz IBNJITOSJDCADH-UHFFFAOYSA-N -2 1 365.392 2.413 50 0 FEAAML Cc1occc1C(=O)[N-]n1c(=O)c2c(C)c(C(=O)[O-])sc2[nH]c1=S ZINC000017075049 539639264 /nfs/dbraw/zinc/63/92/64/539639264.db2.gz IBNJITOSJDCADH-UHFFFAOYSA-N -2 1 365.392 2.413 50 0 FEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000009338446 204365153 /nfs/dbraw/zinc/36/51/53/204365153.db2.gz QEDHWMWGXQUCAC-UHFFFAOYSA-N -2 1 374.418 2.386 50 0 FEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000012557164 206294101 /nfs/dbraw/zinc/29/41/01/206294101.db2.gz CVQVHACYPNIZCE-UHFFFAOYSA-N -2 1 360.391 2.078 50 0 FEAAML Cc1cc(C(=O)NCC(C)(C)Cc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000081411231 325173284 /nfs/dbraw/zinc/17/32/84/325173284.db2.gz DSJDYBPJYFIVTG-UHFFFAOYSA-N -2 1 366.421 2.331 50 0 FEAAML Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccco3)o2)P(=O)([O-])[O-])cc1 ZINC000041154242 205089571 /nfs/dbraw/zinc/08/95/71/205089571.db2.gz LJXSGXKJQJYMLX-HNNXBMFYSA-N -2 1 363.266 2.244 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000002107059 206152543 /nfs/dbraw/zinc/15/25/43/206152543.db2.gz HFAPOHYQUXSMQS-HNNXBMFYSA-N -2 1 359.378 2.205 50 0 biogenic FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000008879924 206219129 /nfs/dbraw/zinc/21/91/29/206219129.db2.gz AASNJZKAXNNCFH-GFCCVEGCSA-N -2 1 359.378 2.063 50 0 FEAAML O=C([O-])c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000002631683 539350175 /nfs/dbraw/zinc/35/01/75/539350175.db2.gz UVNKGGGHQLLTDY-ZDUSSCGKSA-N -2 1 361.423 2.197 50 0 FEAAML O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1F)Cc1cccs1 ZINC000097101862 209171396 /nfs/dbraw/zinc/17/13/96/209171396.db2.gz PFSCQBGMBPRNFP-SECBINFHSA-N -2 1 361.391 2.248 50 0 FEAAML CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000091951481 209008091 /nfs/dbraw/zinc/00/80/91/209008091.db2.gz LTCSMZDYORWBRS-LJQANCHMSA-N -2 1 359.426 2.311 50 0 FEAAML CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000677995154 679708681 /nfs/dbraw/zinc/70/86/81/679708681.db2.gz FVMHOKXUMHKBLG-UHFFFAOYSA-N -2 1 355.391 2.183 50 0 FEAAML O=C([O-])c1cccc(COc2ccc(C=C3NC(=S)[N-]C3=O)cc2)c1 ZINC000002155502 539345512 /nfs/dbraw/zinc/34/55/12/539345512.db2.gz WIGXHEFVHQTFEP-DHDCSXOGSA-N -2 1 354.387 2.309 50 0 FEAAML COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000012869696 539578057 /nfs/dbraw/zinc/57/80/57/539578057.db2.gz FOGCBVDSBKVCEE-UHFFFAOYSA-N -2 1 353.327 2.111 50 0 FEAAML Cc1ccccc1C1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000155659560 545555220 /nfs/dbraw/zinc/55/52/20/545555220.db2.gz ZMIGUDAGUDFDPS-UHFFFAOYSA-N -2 1 364.405 2.102 50 0 FEAAML O=C([O-])C[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000003293366 539362416 /nfs/dbraw/zinc/36/24/16/539362416.db2.gz CPFMSAOWIALYPS-UHFFFAOYSA-N -2 1 363.016 2.119 50 0 FEAAML COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])cc1OC ZINC000001027732 539337101 /nfs/dbraw/zinc/33/71/01/539337101.db2.gz LFSRMUWWAGBOPS-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262773050 328888555 /nfs/dbraw/zinc/88/85/55/328888555.db2.gz MQHAAPCBTNHQDA-ZDUSSCGKSA-N -2 1 357.410 2.386 50 0 FEAAML O=C([O-])c1ccc(COc2ccccc2C=C2NC(=S)[N-]C2=O)cc1 ZINC000013546661 539587529 /nfs/dbraw/zinc/58/75/29/539587529.db2.gz QXVRTLXUYOKUKO-NTEUORMPSA-N -2 1 354.387 2.309 50 0 FEAAML COc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])cc1OC ZINC000013267710 539585768 /nfs/dbraw/zinc/58/57/68/539585768.db2.gz LAOHFGDLIBWWRC-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000004568990 207029862 /nfs/dbraw/zinc/02/98/62/207029862.db2.gz WUWQXWRXVXQUGB-UHFFFAOYSA-N -2 1 351.380 2.132 50 0 FEAAML CC(C)c1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000670448491 571351638 /nfs/dbraw/zinc/35/16/38/571351638.db2.gz SDVVULIZKRCKTJ-QMMMGPOBSA-N -2 1 357.363 2.070 50 0 FEAAML CCCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-] ZINC000002108240 539344896 /nfs/dbraw/zinc/34/48/96/539344896.db2.gz ZXOHMCLAHRPJCP-HNNXBMFYSA-N -2 1 361.394 2.499 50 0 biogenic FEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1 ZINC000003269782 539362242 /nfs/dbraw/zinc/36/22/42/539362242.db2.gz HHLDCIKMGSVNKQ-UHFFFAOYSA-N -2 1 362.407 2.022 50 0 FEAAML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000047030367 209329020 /nfs/dbraw/zinc/32/90/20/209329020.db2.gz QJKASDOQIJRWGT-UHFFFAOYSA-N -2 1 353.327 2.096 50 0 FEAAML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000078965070 542490656 /nfs/dbraw/zinc/49/06/56/542490656.db2.gz VNANEGUXEJBKOE-UHFFFAOYSA-N -2 1 365.342 2.412 50 0 FEAAML O=C([O-])c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000003239646 539361284 /nfs/dbraw/zinc/36/12/84/539361284.db2.gz RHQYYIVDRJCNCZ-UHFFFAOYSA-N -2 1 362.338 2.166 50 0 FEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1 ZINC000010515621 539518084 /nfs/dbraw/zinc/51/80/84/539518084.db2.gz OTLVMHKDZQVQCT-UHFFFAOYSA-N -2 1 362.407 2.196 50 0 FEAAML COc1cc(S(=O)(=O)[N-]c2cccc(F)c2)cc(C(=O)[O-])c1OC ZINC000045946181 209327937 /nfs/dbraw/zinc/32/79/37/209327937.db2.gz KHJIJWTZMVFBPX-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML Cc1cccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)c1 ZINC000032080986 208023488 /nfs/dbraw/zinc/02/34/88/208023488.db2.gz KGGPBEVNUPQNII-ZDUSSCGKSA-N -2 1 374.418 2.233 50 0 FEAAML Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000063879151 212036200 /nfs/dbraw/zinc/03/62/00/212036200.db2.gz YCOJJTWVXWJAHC-UHFFFAOYSA-N -2 1 367.354 2.404 50 0 FEAAML CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc21 ZINC000012541624 539564680 /nfs/dbraw/zinc/56/46/80/539564680.db2.gz FBWOVKCXCAXZEJ-UHFFFAOYSA-N -2 1 374.418 2.485 50 0 FEAAML CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3C(=O)[O-])ccc21 ZINC000042122802 540052379 /nfs/dbraw/zinc/05/23/79/540052379.db2.gz MOLQLVIUUASCKD-UHFFFAOYSA-N -2 1 374.418 2.403 50 0 FEAAML COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012630416 220015968 /nfs/dbraw/zinc/01/59/68/220015968.db2.gz BVWIQTKOCNDRKH-UHFFFAOYSA-N -2 1 353.327 2.111 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000002098444 210379529 /nfs/dbraw/zinc/37/95/29/210379529.db2.gz IBMSLYAVFDVEKJ-UHFFFAOYSA-N -2 1 359.378 2.063 50 0 biogenic FEAAML O=C([O-])Cc1cc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)[nH]n1 ZINC000067773012 221284395 /nfs/dbraw/zinc/28/43/95/221284395.db2.gz NNAABKSVFBACCW-UHFFFAOYSA-N -2 1 363.801 2.416 50 0 FEAAML Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000002108268 539344785 /nfs/dbraw/zinc/34/47/85/539344785.db2.gz HYVLYSMWAYMBEH-UHFFFAOYSA-N -2 1 373.405 2.357 50 0 biogenic FEAAML O=C([O-])C1CCC(CNC(=O)Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000002202882 210384041 /nfs/dbraw/zinc/38/40/41/210384041.db2.gz NVIWNXPQHBCMDR-UHFFFAOYSA-N -2 1 359.378 2.048 50 0 aggregator FEAAML COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000024433290 539731174 /nfs/dbraw/zinc/73/11/74/539731174.db2.gz JJBAWFFVQICJNY-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000097061888 543003046 /nfs/dbraw/zinc/00/30/46/543003046.db2.gz RZOUIWKRCBTCJR-RQJHMYQMSA-N -2 1 354.247 2.042 50 0 FEAAML O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCOCC1 ZINC000165945200 327079968 /nfs/dbraw/zinc/07/99/68/327079968.db2.gz BLLUIEGUKIXAHO-UHFFFAOYSA-N -2 1 374.267 2.215 50 0 FEAAML CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC000091951482 542834076 /nfs/dbraw/zinc/83/40/76/542834076.db2.gz LTCSMZDYORWBRS-IBGZPJMESA-N -2 1 359.426 2.311 50 0 FEAAML O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1ccc(Br)o1 ZINC000102228891 222292700 /nfs/dbraw/zinc/29/27/00/222292700.db2.gz MXAFDENZRPKKEB-UHFFFAOYSA-N -2 1 366.196 2.425 50 0 FEAAML CCn1c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[nH]c1=S ZINC000002145000 539345948 /nfs/dbraw/zinc/34/59/48/539345948.db2.gz IQROFDNPECNEHP-NSHDSACASA-N -2 1 364.379 2.321 50 0 biogenic FEAAML COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1NC(C)=O ZINC000003326864 539363837 /nfs/dbraw/zinc/36/38/37/539363837.db2.gz ULQCWPUXPNPUAF-UHFFFAOYSA-N -2 1 364.379 2.153 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1C(=O)[O-] ZINC000026539653 539788934 /nfs/dbraw/zinc/78/89/34/539788934.db2.gz VDQUGCJSEAMTTD-UHFFFAOYSA-N -2 1 358.379 2.075 50 0 FEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000032087904 539927725 /nfs/dbraw/zinc/92/77/25/539927725.db2.gz DUWLOQMNQCWCFS-UHFFFAOYSA-N -2 1 360.391 2.379 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(NNC(=S)[S-])n2)cc1 ZINC000001826429 539344047 /nfs/dbraw/zinc/34/40/47/539344047.db2.gz CEAFUSGBESNKPQ-UHFFFAOYSA-N -2 1 369.497 2.025 50 0 FEAAML O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(F)c1F)Cc1cccs1 ZINC000097101864 222160459 /nfs/dbraw/zinc/16/04/59/222160459.db2.gz PFSCQBGMBPRNFP-VIFPVBQESA-N -2 1 361.391 2.248 50 0 FEAAML COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000003296694 539362908 /nfs/dbraw/zinc/36/29/08/539362908.db2.gz WTMXHYLCQYXPDX-UHFFFAOYSA-N -2 1 369.420 2.020 50 0 FEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000022843730 539701176 /nfs/dbraw/zinc/70/11/76/539701176.db2.gz ULCQOPUROIOHGN-UHFFFAOYSA-N -2 1 374.418 2.422 50 0 FEAAML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000047202319 540296442 /nfs/dbraw/zinc/29/64/42/540296442.db2.gz WRDGGRPYASKFNC-UHFFFAOYSA-N -2 1 353.327 2.096 50 0 FEAAML O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)OCCO2 ZINC000012541614 220004672 /nfs/dbraw/zinc/00/46/72/220004672.db2.gz YJGBYRNSEZHKOM-UHFFFAOYSA-N -2 1 371.317 2.235 50 0 FEAAML COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000048354775 221010436 /nfs/dbraw/zinc/01/04/36/221010436.db2.gz BGFXZBWIGKPDOM-UHFFFAOYSA-N -2 1 357.334 2.401 50 0 FEAAML O=C([O-])c1ccc(NC(=O)Cc2sc(N3CCCCC3)nc2[O-])cc1 ZINC000002631684 539349875 /nfs/dbraw/zinc/34/98/75/539349875.db2.gz UVNKGGGHQLLTDY-CYBMUJFWSA-N -2 1 361.423 2.197 50 0 FEAAML CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc21 ZINC000007360916 539455780 /nfs/dbraw/zinc/45/57/80/539455780.db2.gz LLUUYYQYAJXKED-UHFFFAOYSA-N -2 1 360.391 2.095 50 0 FEAAML COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1OC ZINC000047030412 540286056 /nfs/dbraw/zinc/28/60/56/540286056.db2.gz YLJWVQHYTMKEEA-UHFFFAOYSA-N -2 1 355.343 2.342 50 0 FEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1 ZINC000013032221 220055028 /nfs/dbraw/zinc/05/50/28/220055028.db2.gz WQOPQZCNYPPWDC-UHFFFAOYSA-N -2 1 360.391 2.312 50 0 FEAAML COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])cc1OC ZINC000013263135 220062148 /nfs/dbraw/zinc/06/21/48/220062148.db2.gz MHWUTEGNRHQNQI-UHFFFAOYSA-N -2 1 373.333 2.481 50 0 FEAAML Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000057115869 221084178 /nfs/dbraw/zinc/08/41/78/221084178.db2.gz BJNJFJSJJSXXFV-UHFFFAOYSA-N -2 1 367.354 2.404 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000028258730 539828877 /nfs/dbraw/zinc/82/88/77/539828877.db2.gz LQEOEBDIMPHWIQ-UHFFFAOYSA-N -2 1 368.798 2.246 50 0 FEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc2c1OCCO2 ZINC000057116706 221083976 /nfs/dbraw/zinc/08/39/76/221083976.db2.gz YQSODUZLFHOHJN-UHFFFAOYSA-N -2 1 371.317 2.235 50 0 FEAAML Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151449429 544543084 /nfs/dbraw/zinc/54/30/84/544543084.db2.gz OVELZVGHNZJEKI-GFCCVEGCSA-N -2 1 352.394 2.083 50 0 FEAAML CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc21 ZINC000006304169 324351378 /nfs/dbraw/zinc/35/13/78/324351378.db2.gz NPYSAVUNUSSCBU-UHFFFAOYSA-N -2 1 360.391 2.095 50 0 FEAAML COc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000004148027 539377409 /nfs/dbraw/zinc/37/74/09/539377409.db2.gz FGLZLWMUWPJZDW-UHFFFAOYSA-N -2 1 351.380 2.268 50 0 FEAAML CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2C[C@@H]1C ZINC000009338410 539501648 /nfs/dbraw/zinc/50/16/48/539501648.db2.gz SDIKEUQXBJLQRM-NSHDSACASA-N -2 1 374.418 2.483 50 0 FEAAML Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000010515404 539517493 /nfs/dbraw/zinc/51/74/93/539517493.db2.gz NQEBEWRSBMFRJT-UHFFFAOYSA-N -2 1 362.407 2.196 50 0 FEAAML