smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[C@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000002145747 206152181 /nfs/dbraw/zinc/15/21/81/206152181.db2.gz PQWSQJPHBKAWTP-ZIKOTGLESA-N -1 0 353.418 2.431 40 30 FEEBRM C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)N[C@@H](C)CC)c1=O ZINC000100643324 206223520 /nfs/dbraw/zinc/22/35/20/206223520.db2.gz JDBIJZWMLDAZKC-NSHDSACASA-N -1 0 360.410 2.439 40 30 FEEBRM CCCCCCCCN(CCOCCOCCO)C(=O)CCC(=O)[O-] ZINC000100924190 543026352 /nfs/dbraw/zinc/02/63/52/543026352.db2.gz YSFUSZHBGUKRCF-UHFFFAOYSA-N -1 0 361.479 2.066 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1 ZINC000408536599 558686304 /nfs/dbraw/zinc/68/63/04/558686304.db2.gz SEZUHCBTVXAQHG-DEFALTHMSA-N -1 0 351.362 2.165 40 30 FEEBRM N#Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408537856 558686699 /nfs/dbraw/zinc/68/66/99/558686699.db2.gz XSGJDVJGJWKGHH-LBPRGKRZSA-N -1 0 350.309 2.299 40 30 FEEBRM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O ZINC000408537733 558686886 /nfs/dbraw/zinc/68/68/86/558686886.db2.gz WVKYXTIPOZRMHT-GFCCVEGCSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000409015629 558690425 /nfs/dbraw/zinc/69/04/25/558690425.db2.gz RQKQVASUGJORRG-KKBVUKDESA-N -1 0 368.345 2.177 40 30 FEEBRM O=C([O-])c1ccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000409349365 570752192 /nfs/dbraw/zinc/75/21/92/570752192.db2.gz QIFMVATWPXPPDX-UHFFFAOYSA-N -1 0 374.356 2.473 40 30 FEEBRM Cc1cc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C#N)on1 ZINC000004945456 206184846 /nfs/dbraw/zinc/18/48/46/206184846.db2.gz HLBAIHAWSHECLQ-UHFFFAOYSA-N -1 0 362.392 2.194 40 30 FEEBRM O=C([O-])C[C@H]1S/C(=N\c2ccccc2)N(NC(=O)c2ccccc2)C1=O ZINC000100447238 543025266 /nfs/dbraw/zinc/02/52/66/543025266.db2.gz UYCVDGBRJLZKHP-ORIGZDJFSA-N -1 0 369.402 2.438 40 30 FEEBRM N#Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(NCC(=O)[O-])n1 ZINC000329068684 553874735 /nfs/dbraw/zinc/87/47/35/553874735.db2.gz YSAHJFJSYIKHPZ-UHFFFAOYSA-N -1 0 363.352 2.238 40 30 FEEBRM N#Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408537855 558686818 /nfs/dbraw/zinc/68/68/18/558686818.db2.gz XSGJDVJGJWKGHH-GFCCVEGCSA-N -1 0 350.309 2.299 40 30 FEEBRM Cc1ccccc1NC(=O)C([O-])=C([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000001626675 204014821 /nfs/dbraw/zinc/01/48/21/204014821.db2.gz ATJDQFODUOZFLO-GOEBONIOSA-N -1 0 354.318 2.060 40 30 FEEBRM Cc1ccccc1NC(=O)C([O-])=C([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000001626678 204015246 /nfs/dbraw/zinc/01/52/46/204015246.db2.gz ATJDQFODUOZFLO-ZBFHGGJFSA-N -1 0 354.318 2.060 40 30 FEEBRM C=C(C)C[C@@H]1N(CCc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000002145745 206152320 /nfs/dbraw/zinc/15/23/20/206152320.db2.gz PQWSQJPHBKAWTP-BWZHCXAASA-N -1 0 353.418 2.431 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)c1 ZINC000408527858 558685839 /nfs/dbraw/zinc/68/58/39/558685839.db2.gz AEIZHLHTJSSVOF-INIZCTEOSA-N -1 0 362.345 2.168 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408537242 558686637 /nfs/dbraw/zinc/68/66/37/558686637.db2.gz UTQUMKBGFHRERM-CYBMUJFWSA-N -1 0 355.325 2.436 40 30 FEEBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000408741759 558689479 /nfs/dbraw/zinc/68/94/79/558689479.db2.gz RXDFJMOLCHVLGY-YFEUJDIGSA-N -1 0 368.374 2.361 40 30 FEEBRM CCS[C@@H]1C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=CC(=O)[O-])C(=O)N1C ZINC000062716303 541153699 /nfs/dbraw/zinc/15/36/99/541153699.db2.gz SFWYZNGMKRLNQL-MRXNPFEDSA-N -1 0 364.379 2.100 40 30 FEEBRM O=[N+]([O-])c1cccc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000005810032 204226307 /nfs/dbraw/zinc/22/63/07/204226307.db2.gz VBVMOMGAPOAISS-NVNXTCNLSA-N -1 0 355.759 2.266 40 30 FEEBRM COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000409015626 558690248 /nfs/dbraw/zinc/69/02/48/558690248.db2.gz RQKQVASUGJORRG-JZOCJUILSA-N -1 0 368.345 2.177 40 30 FEEBRM Cc1nc(Nc2nc(C(=O)[O-])cs2)cc([C@H]2CCCN(CC#N)C2)n1 ZINC000585290541 570495216 /nfs/dbraw/zinc/49/52/16/570495216.db2.gz XWSFUYWONRIPQA-NSHDSACASA-N -1 0 358.427 2.386 40 30 FEEBRM NC(=S)N/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001107570 539339101 /nfs/dbraw/zinc/33/91/01/539339101.db2.gz KOUSSFCOFUJIJA-KGVSQERTSA-N -1 0 353.039 2.084 40 30 FEEBRM O=C(NCc1ccccc1)c1n[n-]n(N=Cc2ccc(Cl)cc2)c1=O ZINC000033429163 539974776 /nfs/dbraw/zinc/97/47/76/539974776.db2.gz ZCMCRQOZFWVEMF-JAIQZWGSSA-N -1 0 355.785 2.449 40 30 FEEBRM O=C([O-])[C@H](CS)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387732 205068156 /nfs/dbraw/zinc/06/81/56/205068156.db2.gz JQJZSEJFQQHMJQ-HNNXBMFYSA-N -1 0 366.402 2.267 40 30 FEEBRM CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000223016016 548714377 /nfs/dbraw/zinc/71/43/77/548714377.db2.gz SHPHFXIABKFNKU-UHFFFAOYSA-N -1 0 359.407 2.117 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2C#N)C1=O ZINC000408536949 558686442 /nfs/dbraw/zinc/68/64/42/558686442.db2.gz UCTPHPIYNWBIFL-CYBMUJFWSA-N -1 0 362.345 2.168 40 30 FEEBRM C#CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408941544 570701559 /nfs/dbraw/zinc/70/15/59/570701559.db2.gz WYQKEGRRIHLRTO-ATVHPVEESA-N -1 0 362.341 2.071 40 30 FEEBRM O=C([O-])c1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000409242896 570746187 /nfs/dbraw/zinc/74/61/87/570746187.db2.gz WOZUGOKJHJOMPN-FYJGNVAPSA-N -1 0 368.389 2.373 40 30 FEEBRM C#CCOc1ccc2ccccc2c1C=Nn1c(=O)c(C)n[n-]c1=S ZINC000008228354 539480905 /nfs/dbraw/zinc/48/09/05/539480905.db2.gz VXWREOKRRYYSCX-YBFXNURJSA-N -1 0 350.403 2.283 40 30 FEEBRM CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000409089929 263524006 /nfs/dbraw/zinc/52/40/06/263524006.db2.gz PEVISKRIPNZTEA-GIJQJNRQSA-N -1 0 360.326 2.298 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408534982 558686435 /nfs/dbraw/zinc/68/64/35/558686435.db2.gz NEKADWMBDBCLJG-GKXUUXLPSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409009688 558690326 /nfs/dbraw/zinc/69/03/26/558690326.db2.gz HMAAQPCTCPRGFD-WBFHQNOSSA-N -1 0 360.326 2.296 40 30 FEEBRM C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1 ZINC000408993773 558689930 /nfs/dbraw/zinc/68/99/30/558689930.db2.gz FPFCDVMXCJORAO-UHFFFAOYSA-N -1 0 365.389 2.408 40 30 FEEBRM CC1(c2nc(=NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)s[n-]2)CC1 ZINC000600226482 571143590 /nfs/dbraw/zinc/14/35/90/571143590.db2.gz CLYNQVUTPUKHIR-CQSZACIVSA-N -1 0 353.451 2.491 40 30 FEEBRM C=CCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000005598693 539414241 /nfs/dbraw/zinc/41/42/41/539414241.db2.gz XBGMKOGCSWCAMI-UHFFFAOYSA-N -1 0 354.482 2.416 40 30 FEEBRM CC(=NN=c1[nH]c2sc3c(c2c2ncnn21)CC(C)(C)OC3)C(=O)[O-] ZINC000013477120 539587353 /nfs/dbraw/zinc/58/73/53/539587353.db2.gz PPQSUKQZFBNEQM-FBCYGCLPSA-N -1 0 360.399 2.063 40 30 FEEBRM CCOC(=O)Cc1csc(N=Cc2c([O-])c3ccccc3oc2=O)n1 ZINC000104302213 205999447 /nfs/dbraw/zinc/99/94/47/205999447.db2.gz KTYXESLULQLQGN-WQLSENKSSA-N -1 0 358.375 2.346 40 30 FEEBRM N#Cc1ccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)cc1 ZINC000004945384 206185567 /nfs/dbraw/zinc/18/55/67/206185567.db2.gz MULSSYSQDSQBHV-UHFFFAOYSA-N -1 0 358.404 2.293 40 30 FEEBRM C=CCSc1nnc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)s1 ZINC000223198421 519091304 /nfs/dbraw/zinc/09/13/04/519091304.db2.gz VGJUHZRBGUJJDS-UHFFFAOYSA-N -1 0 371.465 2.404 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408529703 558686030 /nfs/dbraw/zinc/68/60/30/558686030.db2.gz CYASTBPTQSUFQK-SVZNOHIVSA-N -1 0 365.389 2.474 40 30 FEEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccccn1 ZINC000408536413 558686459 /nfs/dbraw/zinc/68/64/59/558686459.db2.gz RIRZDPZVCCZZIB-FVOVHSBVSA-N -1 0 356.769 2.205 40 30 FEEBRM Cc1cccc(NC(=O)C([O-])=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C ZINC000001627897 206890216 /nfs/dbraw/zinc/89/02/16/206890216.db2.gz JYENQJXMPABEPI-NVXWUHKLSA-N -1 0 368.345 2.368 40 30 FEEBRM COc1ccc(CN/N=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC ZINC000020195759 524017546 /nfs/dbraw/zinc/01/75/46/524017546.db2.gz PKQJFLVJEMBOGY-VXLYETTFSA-N -1 0 361.354 2.450 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O ZINC000408534596 558686246 /nfs/dbraw/zinc/68/62/46/558686246.db2.gz MJBUJLFJTGFAMZ-MQMKENTISA-N -1 0 351.362 2.165 40 30 FEEBRM C#CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])C1=O ZINC000409233615 570744657 /nfs/dbraw/zinc/74/46/57/570744657.db2.gz LJGJRRXRHFAPBG-PEHNMLCRSA-N -1 0 361.375 2.217 40 30 FEEBRM O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000409346931 570752093 /nfs/dbraw/zinc/75/20/93/570752093.db2.gz LUEFXALTRVFENT-UHFFFAOYSA-N -1 0 360.713 2.252 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c1 ZINC000408529895 558685778 /nfs/dbraw/zinc/68/57/78/558685778.db2.gz DJAPMUKSVUIUDR-OAHLLOKOSA-N -1 0 355.325 2.436 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000408537285 558686695 /nfs/dbraw/zinc/68/66/95/558686695.db2.gz UYBGGYWJKTZTSZ-DORSJAEJSA-N -1 0 351.362 2.165 40 30 FEEBRM COc1cc(C=Nn2c(C(F)(F)Cl)n[n-]c2=S)cc(OC)c1O ZINC000008469716 539486732 /nfs/dbraw/zinc/48/67/32/539486732.db2.gz JKNVBCKDABMGQG-FZSIALSZSA-N -1 0 364.761 2.460 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3OC)C2=O)cc1 ZINC000408529939 558685673 /nfs/dbraw/zinc/68/56/73/558685673.db2.gz DKVRVZQCXKQTKP-AWEZNQCLSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2C#N)C1=O ZINC000408536951 558686490 /nfs/dbraw/zinc/68/64/90/558686490.db2.gz UCTPHPIYNWBIFL-ZDUSSCGKSA-N -1 0 362.345 2.168 40 30 FEEBRM C#CCOc1c(Br)cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000408814701 558689679 /nfs/dbraw/zinc/68/96/79/558689679.db2.gz HLXJBMMQOCTOTJ-ZWNOBZJWSA-N -1 0 372.240 2.258 40 30 FEEBRM O=C([O-])COc1c(Br)cc(/C=N/O)cc1Br ZINC000409066715 558690322 /nfs/dbraw/zinc/69/03/22/558690322.db2.gz MCIXUJYSYRGGQH-KGVSQERTSA-N -1 0 352.966 2.483 40 30 FEEBRM CS[C@H]1C(C(=O)C(C)(C)C)=C(CC(=O)[O-])C(=O)N1C[C@@H]1CCCO1 ZINC000062716412 541153736 /nfs/dbraw/zinc/15/37/36/541153736.db2.gz OGWFFXWLMQTAQZ-QFYYESIMSA-N -1 0 355.456 2.083 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408534175 558686317 /nfs/dbraw/zinc/68/63/17/558686317.db2.gz LPKMPYSSBQQYGO-INIZCTEOSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3F)C2=O)c1 ZINC000408533645 558686487 /nfs/dbraw/zinc/68/64/87/558686487.db2.gz KJORCZWOIGTRGA-ZDUSSCGKSA-N -1 0 355.325 2.436 40 30 FEEBRM C=CCN1C(=O)N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O ZINC000409138818 570731744 /nfs/dbraw/zinc/73/17/44/570731744.db2.gz IMXLYSHRHMEZKA-WEVVVXLNSA-N -1 0 368.143 2.142 40 30 FEEBRM CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000062716346 541153900 /nfs/dbraw/zinc/15/39/00/541153900.db2.gz KIRVQHWKBACFIQ-INIZCTEOSA-N -1 0 364.379 2.100 40 30 FEEBRM Cc1cccc(NC(=O)C([O-])=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C ZINC000001627899 206889654 /nfs/dbraw/zinc/88/96/54/206889654.db2.gz JYENQJXMPABEPI-WBVHZDCISA-N -1 0 368.345 2.368 40 30 FEEBRM C=CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC ZINC000113866063 543497074 /nfs/dbraw/zinc/49/70/74/543497074.db2.gz WFSRJYHHTWOUIE-UHFFFAOYSA-N -1 0 350.758 2.053 40 30 FEEBRM CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000223016656 548714497 /nfs/dbraw/zinc/71/44/97/548714497.db2.gz DTGOPPXCVLNNDL-UHFFFAOYSA-N -1 0 373.434 2.312 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408527952 558685664 /nfs/dbraw/zinc/68/56/64/558685664.db2.gz AKWOYGRTQHKELZ-GMDDEGIZSA-N -1 0 369.352 2.304 40 30 FEEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccccn1 ZINC000408536434 558686216 /nfs/dbraw/zinc/68/62/16/558686216.db2.gz RIRZDPZVCCZZIB-VAODSVERSA-N -1 0 356.769 2.205 40 30 FEEBRM CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCC(=O)[O-] ZINC000408930112 570700367 /nfs/dbraw/zinc/70/03/67/570700367.db2.gz SGDSGWRMSDBYES-NZOAFPJWSA-N -1 0 350.396 2.081 40 30 FEEBRM C=CCOC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000008076662 518976162 /nfs/dbraw/zinc/97/61/62/518976162.db2.gz GEQXLKJXRGNFCW-HNNXBMFYSA-N -1 0 364.398 2.449 40 30 FEEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)O/N=C\c2ccc3c(c2)OCO3)cc1 ZINC000005663080 525561726 /nfs/dbraw/zinc/56/17/26/525561726.db2.gz LLYCGDRZXLZULE-MFOYZWKCSA-N -1 0 362.363 2.173 40 30 FEEBRM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408531356 558686379 /nfs/dbraw/zinc/68/63/79/558686379.db2.gz GTUXORVWTCWQTM-NSHDSACASA-N -1 0 355.325 2.436 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3F)C2=O)c1 ZINC000408533636 558686413 /nfs/dbraw/zinc/68/64/13/558686413.db2.gz KJORCZWOIGTRGA-CYBMUJFWSA-N -1 0 355.325 2.436 40 30 FEEBRM N#CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000006241374 539424100 /nfs/dbraw/zinc/42/41/00/539424100.db2.gz FKVVVGUTALDMBW-WJDWOHSUSA-N -1 0 365.320 2.394 40 30 FEEBRM CSc1nnc(C)n1[N-]C(=S)NC(=O)COc1ccccc1C ZINC000033510681 539974792 /nfs/dbraw/zinc/97/47/92/539974792.db2.gz OTCAYCQQDADSOT-UHFFFAOYSA-N -1 0 351.457 2.052 40 30 FEEBRM CC(=O)C(C(=O)Nc1ccc2c(c1)OCO2)=C1SC(C(=O)[O-])S1 ZINC000062716063 541153923 /nfs/dbraw/zinc/15/39/23/541153923.db2.gz MVIAGJVACTUZQX-UHFFFAOYSA-N -1 0 353.377 2.045 40 30 FEEBRM O=C([O-])COc1ccc(Cl)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O ZINC000409349636 570752114 /nfs/dbraw/zinc/75/21/14/570752114.db2.gz UJRYKHVWMUJIIQ-UHFFFAOYSA-N -1 0 373.752 2.101 40 30 FEEBRM O=C([O-])COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1Cl ZINC000409353333 570752629 /nfs/dbraw/zinc/75/26/29/570752629.db2.gz JFBSCICYJDMTAN-UHFFFAOYSA-N -1 0 373.752 2.101 40 30 FEEBRM N#Cc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1 ZINC000004945380 539397661 /nfs/dbraw/zinc/39/76/61/539397661.db2.gz DELZCJMEGBCTCR-UHFFFAOYSA-N -1 0 358.404 2.293 40 30 FEEBRM Cc1ccc(S(=O)([O-])=NC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000027345389 539805272 /nfs/dbraw/zinc/80/52/72/539805272.db2.gz QNORJCNSJDORKN-MHWRWJLKSA-N -1 0 362.367 2.130 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3OC)C2=O)c1 ZINC000408528620 558685970 /nfs/dbraw/zinc/68/59/70/558685970.db2.gz BQGPUSSHQBKMGR-AWEZNQCLSA-N -1 0 367.361 2.305 40 30 FEEBRM O=[N+]([O-])c1ccc([O-])c(C=NNC(=S)Nc2ccc3c[nH]nc3c2)c1 ZINC000004822279 539392853 /nfs/dbraw/zinc/39/28/53/539392853.db2.gz HJZPLTSCBOOLQL-IUXPMGMMSA-N -1 0 356.367 2.497 40 30 FEEBRM CN(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408537058 558686601 /nfs/dbraw/zinc/68/66/01/558686601.db2.gz ULOQAYYWAVUZFY-AWEZNQCLSA-N -1 0 368.368 2.493 40 30 FEEBRM COc1cccc(CN=Nc2ncccc2[N+](=O)[O-])c1O[C@@H](C)C(=O)[O-] ZINC000409231981 570743986 /nfs/dbraw/zinc/74/39/86/570743986.db2.gz MIUSYQGSVVVOSP-NTOSSWPYSA-N -1 0 360.326 2.296 40 30 FEEBRM Cc1nn(-c2nc(C)cc(C)n2)c([N-]S(=O)(=O)c2ccccc2)c1C#N ZINC000010382146 539517036 /nfs/dbraw/zinc/51/70/36/539517036.db2.gz VDRXTNOECBFBAL-UHFFFAOYSA-N -1 0 368.422 2.260 40 30 FEEBRM N=C1SC(=Cc2ccc(OCC(N)=O)cc2)C([O-])=C1c1nccs1 ZINC000033793106 539975185 /nfs/dbraw/zinc/97/51/85/539975185.db2.gz DCAINOSDQKSXAQ-YKWRUIJSSA-N -1 0 359.432 2.425 40 30 FEEBRM O=[N+]([O-])c1ccc([O-])c(C=NNC(=S)Nc2ccc3c[nH]nc3c2)c1 ZINC000001674827 210366305 /nfs/dbraw/zinc/36/63/05/210366305.db2.gz HJZPLTSCBOOLQL-CAOOACKPSA-N -1 0 356.367 2.497 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408536327 558686324 /nfs/dbraw/zinc/68/63/24/558686324.db2.gz QXCQPODHQRCSHG-CQSZACIVSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3F)C2=O)cc1 ZINC000408535697 558686328 /nfs/dbraw/zinc/68/63/28/558686328.db2.gz OMFGOZRTXDWNHY-CYBMUJFWSA-N -1 0 355.325 2.436 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNNc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000408757165 558689406 /nfs/dbraw/zinc/68/94/06/558689406.db2.gz VFCOSZIVFFMNNJ-MXDDHBLUSA-N -1 0 352.419 2.457 40 30 FEEBRM C=CCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)[O-] ZINC000217644632 210172696 /nfs/dbraw/zinc/17/26/96/210172696.db2.gz SXTBIGXCRCGSGO-UHFFFAOYSA-N -1 0 356.444 2.076 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c1 ZINC000408529968 558685747 /nfs/dbraw/zinc/68/57/47/558685747.db2.gz DMGYIXSOHGYDOF-MRXNPFEDSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408531353 558686309 /nfs/dbraw/zinc/68/63/09/558686309.db2.gz GTUXORVWTCWQTM-LLVKDONJSA-N -1 0 355.325 2.436 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408534177 558686430 /nfs/dbraw/zinc/68/64/30/558686430.db2.gz LPKMPYSSBQQYGO-MRXNPFEDSA-N -1 0 367.361 2.305 40 30 FEEBRM Cc1nc(Nc2nc(C(=O)[O-])cs2)cc(C2CCN(CC#N)CC2)n1 ZINC000585291975 570497122 /nfs/dbraw/zinc/49/71/22/570497122.db2.gz HOWHVWVNDGGYFH-UHFFFAOYSA-N -1 0 358.427 2.386 40 30 FEEBRM C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC(C)C ZINC000217510952 210171660 /nfs/dbraw/zinc/17/16/60/210171660.db2.gz WTBDNSXZDZWVPI-UHFFFAOYSA-N -1 0 356.444 2.076 40 30 FEEBRM CS(=O)(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000042250217 540056386 /nfs/dbraw/zinc/05/63/86/540056386.db2.gz IQLWYABFKWXGMH-UHFFFAOYSA-N -1 0 371.411 2.064 40 30 FEEBRM O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1[O-] ZINC000016952894 211172793 /nfs/dbraw/zinc/17/27/93/211172793.db2.gz VBVMOMGAPOAISS-OVCLIPMQSA-N -1 0 355.759 2.266 40 30 FEEBRM N=C1SC(=Cc2ccc(OCC(N)=O)cc2)C([O-])=C1c1nccs1 ZINC000138175095 544394697 /nfs/dbraw/zinc/39/46/97/544394697.db2.gz DCAINOSDQKSXAQ-XRKISCQYSA-N -1 0 359.432 2.425 40 30 FEEBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000408741757 558689335 /nfs/dbraw/zinc/68/93/35/558689335.db2.gz RXDFJMOLCHVLGY-XKYMITNMSA-N -1 0 368.374 2.361 40 30 FEEBRM CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCC(=O)[O-] ZINC000408751223 558689384 /nfs/dbraw/zinc/68/93/84/558689384.db2.gz XWPOFTFYAJHKMM-LSCVHKIXSA-N -1 0 360.326 2.298 40 30 FEEBRM C=CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1I ZINC000408916526 558689851 /nfs/dbraw/zinc/68/98/51/558689851.db2.gz DUZAFPFYWTZHHJ-JXMROGBWSA-N -1 0 370.146 2.036 40 30 FEEBRM C#CCN1C(=O)S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C1=O ZINC000409233614 570744555 /nfs/dbraw/zinc/74/45/55/570744555.db2.gz LJGJRRXRHFAPBG-AVMBBCFPSA-N -1 0 361.375 2.217 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3OC)C2=O)c1 ZINC000408528623 558686037 /nfs/dbraw/zinc/68/60/37/558686037.db2.gz BQGPUSSHQBKMGR-CQSZACIVSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)c1 ZINC000408529686 558686040 /nfs/dbraw/zinc/68/60/40/558686040.db2.gz CXKPWQGULDLUEM-OAHLLOKOSA-N -1 0 362.345 2.168 40 30 FEEBRM COc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408741045 558689444 /nfs/dbraw/zinc/68/94/44/558689444.db2.gz NOEFKCWNGOIGNZ-OTGIAGGSSA-N -1 0 353.403 2.462 40 30 FEEBRM CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@@H](O)C[C@@H]2C/C(=C\COCC(=O)[O-])C[C@@H]21 ZINC000064857987 210095867 /nfs/dbraw/zinc/09/58/67/210095867.db2.gz ARUGKOZUKWAXDS-RGBSCUPGSA-N -1 0 374.477 2.225 40 30 in-vitro FEEBRM O=C([O-])c1ccc2nc(CC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1 ZINC000006733643 210692898 /nfs/dbraw/zinc/69/28/98/210692898.db2.gz VMGCEDMZBNMPKB-QPEQYQDCSA-N -1 0 352.302 2.244 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)cc1 ZINC000408529655 558685931 /nfs/dbraw/zinc/68/59/31/558685931.db2.gz CVEMELUKWZVDEC-OAHLLOKOSA-N -1 0 362.345 2.168 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3OC)C2=O)cc1 ZINC000408529940 558686050 /nfs/dbraw/zinc/68/60/50/558686050.db2.gz DKVRVZQCXKQTKP-CQSZACIVSA-N -1 0 367.361 2.305 40 30 FEEBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408740440 558689399 /nfs/dbraw/zinc/68/93/99/558689399.db2.gz KQQGFEJDOIQONW-YFEUJDIGSA-N -1 0 368.374 2.361 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cn1 ZINC000408766236 558689939 /nfs/dbraw/zinc/68/99/39/558689939.db2.gz STBUTSVYEDNDMC-LEBHLANCSA-N -1 0 368.418 2.165 40 30 FEEBRM C#CCOc1c(Br)cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000408814696 558690045 /nfs/dbraw/zinc/69/00/45/558690045.db2.gz HLXJBMMQOCTOTJ-GXFFZTMASA-N -1 0 372.240 2.258 40 30 FEEBRM COc1cccc(CN=Nc2ccc([N+](=O)[O-])cn2)c1O[C@@H](C)C(=O)[O-] ZINC000409232922 570744432 /nfs/dbraw/zinc/74/44/32/570744432.db2.gz JBQPLLIKIZPOJZ-WBFHQNOSSA-N -1 0 360.326 2.296 40 30 FEEBRM Cc1c(C#N)c(=O)n(CCc2ccccc2)c([O-])c1CN1CCCOC1 ZINC000019690862 211245985 /nfs/dbraw/zinc/24/59/85/211245985.db2.gz NIUOPUXTWRNYCG-UHFFFAOYSA-N -1 0 353.422 2.157 40 30 FEEBRM O=c1[nH]c2cc(Cl)ccc2nc1/C(=N\[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000017214774 211183012 /nfs/dbraw/zinc/18/30/12/211183012.db2.gz BUNZELLKAVADAP-NPRIEWAGSA-N -1 0 374.740 2.397 40 30 FEEBRM C/N=C1\S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])C(=O)N1C ZINC000016322455 211159282 /nfs/dbraw/zinc/15/92/82/211159282.db2.gz QXKMRTXVTOIRFO-WPGDTJSYSA-N -1 0 350.396 2.079 40 30 FEEBRM C=CCSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000223275807 519091126 /nfs/dbraw/zinc/09/11/26/519091126.db2.gz NWVXHPDJIIVCEK-UHFFFAOYSA-N -1 0 371.465 2.388 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408527800 558685689 /nfs/dbraw/zinc/68/56/89/558685689.db2.gz ABTSPXHMZAVVPT-MRXNPFEDSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1ccc(/C=N\n2c([O-])nc3c4ccc(OC)cc4[nH]c3c2=O)cc1 ZINC000002427794 539347654 /nfs/dbraw/zinc/34/76/54/539347654.db2.gz FIPCSJCUCMFKOH-JMIUGGIZSA-N -1 0 364.361 2.483 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C#N)cc2)C1=O ZINC000408534039 558686273 /nfs/dbraw/zinc/68/62/73/558686273.db2.gz KWQSPXXOZBWCCH-AWEZNQCLSA-N -1 0 362.345 2.168 40 30 FEEBRM NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000005740940 539415787 /nfs/dbraw/zinc/41/57/87/539415787.db2.gz MVNPHVMFGOKGFS-UHFFFAOYSA-N -1 0 351.409 2.062 40 30 FEEBRM O=C([O-])COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000014408822 539602868 /nfs/dbraw/zinc/60/28/68/539602868.db2.gz XRXLWMPODPRXNC-LZYBPNLTSA-N -1 0 360.282 2.412 40 30 FEEBRM COc1cc(CN=Nc2nnn[n-]2)cc(Br)c1OC(C)C ZINC000035189330 539979027 /nfs/dbraw/zinc/97/90/27/539979027.db2.gz WRUXIASXHOHACY-NSIKDUERSA-N -1 0 355.196 2.204 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408528391 558685713 /nfs/dbraw/zinc/68/57/13/558685713.db2.gz BDBRPWZETMBLCM-RANIVTSPSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1 ZINC000408537286 558686782 /nfs/dbraw/zinc/68/67/82/558686782.db2.gz UYBGGYWJKTZTSZ-SDLDRHLBSA-N -1 0 351.362 2.165 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3cccc(O)c3)C(=O)[N-]C2=S)cc1 ZINC000408758451 558689316 /nfs/dbraw/zinc/68/93/16/558689316.db2.gz KDWTVLPVZPBSCU-GDXCHIGESA-N -1 0 353.403 2.467 40 30 FEEBRM O=c1[nH]c2ccccc2c(=O)n1N=Cc1cc(Cl)c([O-])c([N+](=O)[O-])c1 ZINC000409362959 570752863 /nfs/dbraw/zinc/75/28/63/570752863.db2.gz TXLZNKGZPDUYGB-UHFFFAOYSA-N -1 0 360.713 2.252 40 30 FEEBRM C=C[C@@]1(C)C=C2C(=O)C(=O)C3[C@]4(C[C@H]4CC[C@@]3(C)C(=O)[O-])[C@]2(O)C(=O)C1 ZINC000040879006 540011505 /nfs/dbraw/zinc/01/15/05/540011505.db2.gz XKJPVKHJPNQLKG-KPHJKFSFSA-N -1 0 358.390 2.095 40 30 biogenic,in-vitro FEEBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1 ZINC000224860287 525013590 /nfs/dbraw/zinc/01/35/90/525013590.db2.gz MLIBDYKEHRRIGB-UHFFFAOYSA-N -1 0 360.391 2.041 40 30 FEEBRM CCNC(=S)N/N=C/c1cc(Cl)c(OCC(=O)[O-])c(OCC)c1 ZINC000006154267 539422732 /nfs/dbraw/zinc/42/27/32/539422732.db2.gz LCYAPSXCIBKEOH-REZTVBANSA-N -1 0 359.835 2.020 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408741752 263494914 /nfs/dbraw/zinc/49/49/14/263494914.db2.gz RWQOWVRROMVAOW-BKQORJHRSA-N -1 0 353.403 2.462 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1 ZINC000408536597 558686422 /nfs/dbraw/zinc/68/64/22/558686422.db2.gz SEZUHCBTVXAQHG-DDLUMYACSA-N -1 0 351.362 2.165 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3ccccc3O)C(=O)[N-]C2=S)cc1 ZINC000408766128 558689885 /nfs/dbraw/zinc/68/98/85/558689885.db2.gz ZQMKCWNPXXULSD-BUESGFEBSA-N -1 0 353.403 2.467 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3ccccc3O)C(=O)[N-]C2=S)cc1 ZINC000408766131 558689916 /nfs/dbraw/zinc/68/99/16/558689916.db2.gz ZQMKCWNPXXULSD-UZPSYVQNSA-N -1 0 353.403 2.467 40 30 FEEBRM C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC(C)C ZINC000217438772 571172896 /nfs/dbraw/zinc/17/28/96/571172896.db2.gz DFSQJOKNUCBAOV-UHFFFAOYSA-N -1 0 356.444 2.076 40 30 FEEBRM COC(=O)c1[n-]c(=O)c(C#N)c(C(=O)OC)c1C(=O)C=Cc1ccccc1 ZINC000017142300 220208125 /nfs/dbraw/zinc/20/81/25/220208125.db2.gz SMXWYSHIDVJXPE-HJWRWDBZSA-N -1 0 366.329 2.128 40 30 FEEBRM NC(=S)N=NCc1cc(Br)c([O-])c(Br)c1 ZINC000016755025 220193463 /nfs/dbraw/zinc/19/34/63/220193463.db2.gz COWOZALGRUXALC-BASWHVEKSA-N -1 0 353.039 2.496 40 30 FEEBRM CN(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408537062 558686871 /nfs/dbraw/zinc/68/68/71/558686871.db2.gz ULOQAYYWAVUZFY-CQSZACIVSA-N -1 0 368.368 2.493 40 30 FEEBRM C=CCc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(OCC)c1OCCC ZINC000409072348 558690398 /nfs/dbraw/zinc/69/03/98/558690398.db2.gz BTWCASAFCLEONZ-UHFFFAOYSA-N -1 0 358.394 2.352 40 30 FEEBRM O=C([O-])COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)cc1Cl ZINC000408843635 570691343 /nfs/dbraw/zinc/69/13/43/570691343.db2.gz GROXFRKSCWBIQO-UFWORHAWSA-N -1 0 358.737 2.434 40 30 FEEBRM CC(=O)c1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1 ZINC000005444076 539410882 /nfs/dbraw/zinc/41/08/82/539410882.db2.gz TXRUVNCXIJQWNU-LTGZKZEYSA-N -1 0 365.418 2.147 40 30 FEEBRM CS[C@@H]1C(C(=O)C(C)(C)C)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1 ZINC000062716413 541153561 /nfs/dbraw/zinc/15/35/61/541153561.db2.gz OGWFFXWLMQTAQZ-QLJPJBMISA-N -1 0 355.456 2.083 40 30 FEEBRM N#Cc1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000017877389 220218594 /nfs/dbraw/zinc/21/85/94/220218594.db2.gz MMWMFNWOMDJMKI-ZDUSSCGKSA-N -1 0 353.359 2.076 40 30 FEEBRM O=c1[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])nc2ccccc12 ZINC000408730053 263492044 /nfs/dbraw/zinc/49/20/44/263492044.db2.gz DVEGYQIBXJREOE-FRKPEAEDSA-N -1 0 370.281 2.303 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c1 ZINC000408529967 558685993 /nfs/dbraw/zinc/68/59/93/558685993.db2.gz DMGYIXSOHGYDOF-INIZCTEOSA-N -1 0 367.361 2.305 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000408765585 558689268 /nfs/dbraw/zinc/68/92/68/558689268.db2.gz WKZZCNCDFGEKKY-SMLKNPDNSA-N -1 0 353.403 2.467 40 30 FEEBRM C#CCOc1c(OC)cc(Br)cc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000408815851 558689876 /nfs/dbraw/zinc/68/98/76/558689876.db2.gz VHQXUMJIOQHIPR-GXFFZTMASA-N -1 0 372.240 2.258 40 30 FEEBRM COc1cccc(CN=Nc2ncccc2[N+](=O)[O-])c1O[C@H](C)C(=O)[O-] ZINC000409231982 570743953 /nfs/dbraw/zinc/74/39/53/570743953.db2.gz MIUSYQGSVVVOSP-SVXRXWARSA-N -1 0 360.326 2.296 40 30 FEEBRM COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)[O-])cc1 ZINC000218092539 222676990 /nfs/dbraw/zinc/67/69/90/222676990.db2.gz SYKBMHDJNOROTH-NUJGCVRESA-N -1 0 357.387 2.229 40 30 FEEBRM CCOC(=O)C(=N[N-]c1cc(-c2ccccc2)[nH]n1)c1nc(O)cs1 ZINC000005398422 263341091 /nfs/dbraw/zinc/34/10/91/263341091.db2.gz PKNIZBSVAUBUSR-STZFKDTASA-N -1 0 357.395 2.080 40 30 FEEBRM COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)[O-])cc1 ZINC000218092468 548684760 /nfs/dbraw/zinc/68/47/60/548684760.db2.gz SYKBMHDJNOROTH-BQFCYCMXSA-N -1 0 357.387 2.229 40 30 FEEBRM COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C#N)C(=O)[O-])cc1 ZINC000218092387 548684825 /nfs/dbraw/zinc/68/48/25/548684825.db2.gz SYKBMHDJNOROTH-RYRKJORJSA-N -1 0 357.387 2.229 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O ZINC000408534595 558686407 /nfs/dbraw/zinc/68/64/07/558686407.db2.gz MJBUJLFJTGFAMZ-GQFJFNLSSA-N -1 0 351.362 2.165 40 30 FEEBRM N#Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408537692 558686566 /nfs/dbraw/zinc/68/65/66/558686566.db2.gz WRKGWLSZBPBFDS-ZDUSSCGKSA-N -1 0 350.309 2.299 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408537243 558686827 /nfs/dbraw/zinc/68/68/27/558686827.db2.gz UTQUMKBGFHRERM-ZDUSSCGKSA-N -1 0 355.325 2.436 40 30 FEEBRM C/C(=N\C(C)(CO)CO)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100643596 222249480 /nfs/dbraw/zinc/24/94/80/222249480.db2.gz XWHLOLMDJVBSIZ-HYARGMPZSA-N -1 0 366.417 2.249 40 30 FEEBRM N#CCn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000409379277 263553392 /nfs/dbraw/zinc/55/33/92/263553392.db2.gz WLXMGSRMGOVIHZ-NTUHNPAUSA-N -1 0 357.416 2.451 40 30 FEEBRM CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1 ZINC000224594995 521189049 /nfs/dbraw/zinc/18/90/49/521189049.db2.gz MSTZKBGRPYFCCM-UHFFFAOYSA-N -1 0 374.418 2.431 40 30 FEEBRM C=CCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1 ZINC000217570013 548682157 /nfs/dbraw/zinc/68/21/57/548682157.db2.gz NCDLWMFXHJGYQF-UHFFFAOYSA-N -1 0 356.444 2.076 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(OC)c3)C2=O)cc1 ZINC000408535907 558686388 /nfs/dbraw/zinc/68/63/88/558686388.db2.gz OZMUVYFCMUWOFD-MRXNPFEDSA-N -1 0 367.361 2.305 40 30 FEEBRM O=C([O-])Cn1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21 ZINC000409350182 570752080 /nfs/dbraw/zinc/75/20/80/570752080.db2.gz UKNCNLTXRHZWLJ-UHFFFAOYSA-N -1 0 362.345 2.024 40 30 FEEBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCC#N ZINC000409409801 570757172 /nfs/dbraw/zinc/75/71/72/570757172.db2.gz XDXWAXODGYWCTK-VBKFSLOCSA-N -1 0 363.373 2.449 40 30 FEEBRM CC1(c2nc(=NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)s[n-]2)CC1 ZINC000600226481 571143524 /nfs/dbraw/zinc/14/35/24/571143524.db2.gz CLYNQVUTPUKHIR-AWEZNQCLSA-N -1 0 353.451 2.491 40 30 FEEBRM C=C(C)CC1N(CCc2ccccc2)C(=O)C2C(C(=O)[O-])C3C=CC12O3 ZINC000002145741 539346188 /nfs/dbraw/zinc/34/61/88/539346188.db2.gz PQWSQJPHBKAWTP-NAIAOIPJSA-N -1 0 353.418 2.431 40 30 FEEBRM Cc1cccc(NC(=O)C([O-])=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C ZINC000001627898 204014947 /nfs/dbraw/zinc/01/49/47/204014947.db2.gz JYENQJXMPABEPI-RDJZCZTQSA-N -1 0 368.345 2.368 40 30 FEEBRM Cc1ccccc1NC(=O)C([O-])=C([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-] ZINC000001626676 204015505 /nfs/dbraw/zinc/01/55/05/204015505.db2.gz ATJDQFODUOZFLO-GDBMZVCRSA-N -1 0 354.318 2.060 40 30 FEEBRM O=c1[nH]cnc2nc(N=NC=C(Br)Cc3ccccc3)[n-]c21 ZINC000006565679 204253062 /nfs/dbraw/zinc/25/30/62/204253062.db2.gz MTGGTIZBQROXGS-IFBHZZHUSA-N -1 0 359.187 2.480 40 30 FEEBRM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O ZINC000049089868 205168998 /nfs/dbraw/zinc/16/89/98/205168998.db2.gz OXROWJKCGCOJDO-JLHYYAGUSA-N -1 0 371.827 2.453 40 30 world FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000408536326 558686281 /nfs/dbraw/zinc/68/62/81/558686281.db2.gz QXCQPODHQRCSHG-AWEZNQCLSA-N -1 0 367.361 2.305 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNNc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000408757166 558689346 /nfs/dbraw/zinc/68/93/46/558689346.db2.gz VFCOSZIVFFMNNJ-VUQQOUJSSA-N -1 0 352.419 2.457 40 30 FEEBRM C#CCOc1c(OC)cc(Br)cc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000408815850 558690127 /nfs/dbraw/zinc/69/01/27/558690127.db2.gz VHQXUMJIOQHIPR-GWCFXTLKSA-N -1 0 372.240 2.258 40 30 FEEBRM N#CC1=C([O-])NC(N2CCN(c3ccc(Cl)cc3)CC2)=NC12CCCC2 ZINC000014163147 539597590 /nfs/dbraw/zinc/59/75/90/539597590.db2.gz LKWBUDLPKZIOIM-INIZCTEOSA-N -1 0 371.872 2.400 40 30 FEEBRM N#Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)n[nH]c1C1CC1 ZINC000296102723 553104835 /nfs/dbraw/zinc/10/48/35/553104835.db2.gz XJQKYAURRLPASW-UHFFFAOYSA-N -1 0 356.407 2.479 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408528396 558685870 /nfs/dbraw/zinc/68/58/70/558685870.db2.gz BDBRPWZETMBLCM-VRCTWVPOSA-N -1 0 365.389 2.474 40 30 FEEBRM C#CCOc1c(Br)cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000408814700 558689997 /nfs/dbraw/zinc/68/99/97/558689997.db2.gz HLXJBMMQOCTOTJ-MFKMUULPSA-N -1 0 372.240 2.258 40 30 FEEBRM COc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059248794 540863780 /nfs/dbraw/zinc/86/37/80/540863780.db2.gz GYDWRMWBGFRSDD-DJKKODMXSA-N -1 0 359.407 2.140 40 30 FEEBRM Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2C(=O)[O-])n1 ZINC000010382144 204395737 /nfs/dbraw/zinc/39/57/37/204395737.db2.gz FOMVWLVWBCLKGA-UHFFFAOYSA-N -1 0 362.349 2.101 40 30 FEEBRM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(CC#N)cc2)cc1C ZINC000224647824 525013064 /nfs/dbraw/zinc/01/30/64/525013064.db2.gz RPSWJZGBWNVCIU-UHFFFAOYSA-N -1 0 374.418 2.350 40 30 FEEBRM N#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000408913159 558689803 /nfs/dbraw/zinc/68/98/03/558689803.db2.gz SVJURPYAEZTHPG-XNTDXEJSSA-N -1 0 365.320 2.394 40 30 FEEBRM Cc1cccc(NC(=O)C([O-])=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])c1C ZINC000001627896 204014476 /nfs/dbraw/zinc/01/44/76/204014476.db2.gz JYENQJXMPABEPI-DOTOQJQBSA-N -1 0 368.345 2.368 40 30 FEEBRM C=CCOc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)c1 ZINC000225837842 206120596 /nfs/dbraw/zinc/12/05/96/206120596.db2.gz UJLLHGSPWVZKFA-UHFFFAOYSA-N -1 0 368.440 2.252 40 30 FEEBRM CC(N=NC(=S)Nc1ccc(S(=O)(=O)[O-])cc1)c1ccccn1 ZINC000016940415 518459856 /nfs/dbraw/zinc/45/98/56/518459856.db2.gz JJJGHIWJHORGFY-LICLKQGHSA-N -1 0 350.425 2.450 40 30 FEEBRM COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C#N)C(=O)[O-])cc1 ZINC000242677093 548887123 /nfs/dbraw/zinc/88/71/23/548887123.db2.gz SYKBMHDJNOROTH-JFIYKMOQSA-N -1 0 357.387 2.229 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)cc1 ZINC000408529338 558685938 /nfs/dbraw/zinc/68/59/38/558685938.db2.gz CQXLDDORSKLYJM-MRXNPFEDSA-N -1 0 362.345 2.168 40 30 FEEBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408536012 558686220 /nfs/dbraw/zinc/68/62/20/558686220.db2.gz PNARABSGHBQDOY-GFCCVEGCSA-N -1 0 370.296 2.335 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)cc1 ZINC000408535419 558686446 /nfs/dbraw/zinc/68/64/46/558686446.db2.gz OAQZROPKWLJJID-OAHLLOKOSA-N -1 0 355.325 2.436 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cn1 ZINC000408766234 558689626 /nfs/dbraw/zinc/68/96/26/558689626.db2.gz STBUTSVYEDNDMC-FVOVHSBVSA-N -1 0 368.418 2.165 40 30 FEEBRM CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000062716345 541153551 /nfs/dbraw/zinc/15/35/51/541153551.db2.gz KIRVQHWKBACFIQ-MRXNPFEDSA-N -1 0 364.379 2.100 40 30 FEEBRM COc1ccc(CNC(=O)C(C(C)=O)=C2SC(C(=O)[O-])S2)cc1 ZINC000062716070 541154111 /nfs/dbraw/zinc/15/41/11/541154111.db2.gz MSBJIRSPNHMQIG-UHFFFAOYSA-N -1 0 353.421 2.003 40 30 FEEBRM O=C(Cc1nc2cc(S(=O)(=O)[O-])ccc2oc1=O)c1cccs1 ZINC000100239108 203810886 /nfs/dbraw/zinc/81/08/86/203810886.db2.gz PKQQRQWEURGTLK-JXMROGBWSA-N -1 0 351.361 2.093 40 30 FEEBRM O=C([O-])[C@@H](CS)n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387734 205068160 /nfs/dbraw/zinc/06/81/60/205068160.db2.gz JQJZSEJFQQHMJQ-OAHLLOKOSA-N -1 0 366.402 2.267 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3C#N)C2=O)c1 ZINC000408529685 558685925 /nfs/dbraw/zinc/68/59/25/558685925.db2.gz CXKPWQGULDLUEM-HNNXBMFYSA-N -1 0 362.345 2.168 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1 ZINC000408536600 558686287 /nfs/dbraw/zinc/68/62/87/558686287.db2.gz SEZUHCBTVXAQHG-DORSJAEJSA-N -1 0 351.362 2.165 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000408765584 558689180 /nfs/dbraw/zinc/68/91/80/558689180.db2.gz WKZZCNCDFGEKKY-HNIBHBHRSA-N -1 0 353.403 2.467 40 30 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FEEBRM N#Cc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000009870406 207288325 /nfs/dbraw/zinc/28/83/25/207288325.db2.gz MMWMFNWOMDJMKI-CYBMUJFWSA-N -1 0 353.359 2.076 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408527955 558685908 /nfs/dbraw/zinc/68/59/08/558685908.db2.gz AKWOYGRTQHKELZ-PJICWNCHSA-N -1 0 369.352 2.304 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O ZINC000408534598 558686343 /nfs/dbraw/zinc/68/63/43/558686343.db2.gz MJBUJLFJTGFAMZ-PVGUKEHMSA-N -1 0 351.362 2.165 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(OC)c3)C2=O)cc1 ZINC000408535906 558686453 /nfs/dbraw/zinc/68/64/53/558686453.db2.gz OZMUVYFCMUWOFD-INIZCTEOSA-N -1 0 367.361 2.305 40 30 FEEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccccn1 ZINC000408536421 558686469 /nfs/dbraw/zinc/68/64/69/558686469.db2.gz RIRZDPZVCCZZIB-LEBHLANCSA-N -1 0 356.769 2.205 40 30 FEEBRM Cc1ccc(N2C(=O)C(=CNc3cccc(O)c3)C(=O)[N-]C2=S)cc1 ZINC000408758452 558689460 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FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408741753 558689273 /nfs/dbraw/zinc/68/92/73/558689273.db2.gz RWQOWVRROMVAOW-SKCQWOFPSA-N -1 0 353.403 2.462 40 30 FEEBRM C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C1=O ZINC000003672795 539373039 /nfs/dbraw/zinc/37/30/39/539373039.db2.gz ITTMTRQYBWGPGE-GMROUXNLSA-N -1 0 361.375 2.217 40 30 FEEBRM O=[N+]([O-])c1cnn(Cc2ccc(C=Nn3c(C(F)F)n[n-]c3=S)o2)c1 ZINC000002789868 527415685 /nfs/dbraw/zinc/41/56/85/527415685.db2.gz KZIAZRJMILOGNI-AYSLTRBKSA-N -1 0 369.313 2.133 40 30 FEEBRM C/C(=N/N=C1NC(=O)/C(=C/C(=O)[O-])S1)c1ccc(Br)cc1 ZINC000408717978 558689519 /nfs/dbraw/zinc/68/95/19/558689519.db2.gz GOHPSJFCJHDUDD-WUOUCUFGSA-N -1 0 368.212 2.361 40 30 FEEBRM C/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C(=O)N1C ZINC000408930444 570700726 /nfs/dbraw/zinc/70/07/26/570700726.db2.gz XEVQEATWMKMKQD-IOIVTLPZSA-N -1 0 370.814 2.344 40 30 FEEBRM C=CCOC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000200378015 570770913 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FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408529700 558686007 /nfs/dbraw/zinc/68/60/07/558686007.db2.gz CYASTBPTQSUFQK-GKXUUXLPSA-N -1 0 365.389 2.474 40 30 FEEBRM C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OCC ZINC000409134204 570730837 /nfs/dbraw/zinc/73/08/37/570730837.db2.gz NEAUZRFQRABHAX-NTEUORMPSA-N -1 0 361.375 2.218 40 30 FEEBRM C#CCN1C(=O)S/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C1=O ZINC000003672793 539373226 /nfs/dbraw/zinc/37/32/26/539373226.db2.gz ITTMTRQYBWGPGE-RSYJBZMQSA-N -1 0 361.375 2.217 40 30 FEEBRM CS[C@H]1C(C(=O)C(C)(C)C)=C(CC(=O)[O-])C(=O)N1C[C@H]1CCCO1 ZINC000062716414 541153996 /nfs/dbraw/zinc/15/39/96/541153996.db2.gz OGWFFXWLMQTAQZ-HWPZZCPQSA-N -1 0 355.456 2.083 40 30 FEEBRM NC(=S)N=NCc1cc(Br)cc(Br)c1[O-] ZINC000019909472 211261821 /nfs/dbraw/zinc/26/18/21/211261821.db2.gz KOUSSFCOFUJIJA-BASWHVEKSA-N -1 0 353.039 2.496 40 30 FEEBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCc1ccccn1 ZINC000408536424 558686298 /nfs/dbraw/zinc/68/62/98/558686298.db2.gz RIRZDPZVCCZZIB-SAGYFLTASA-N -1 0 356.769 2.205 40 30 FEEBRM C#CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000408800220 558689892 /nfs/dbraw/zinc/68/98/92/558689892.db2.gz NWMGIGVSSYODQO-FOWTUZBSSA-N -1 0 362.341 2.071 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O ZINC000408534587 558686449 /nfs/dbraw/zinc/68/64/49/558686449.db2.gz MJBUJLFJTGFAMZ-FAPYRAKZSA-N -1 0 351.362 2.165 40 30 FEEBRM COc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c1 ZINC000408537573 558686716 /nfs/dbraw/zinc/68/67/16/558686716.db2.gz WITNLAFOTNQIEG-CQSZACIVSA-N -1 0 367.361 2.305 40 30 FEEBRM Cc1cc(Nc2nc(C(=O)[O-])cs2)nc([C@H]2CCCN(CC#N)C2)n1 ZINC000585290024 571127082 /nfs/dbraw/zinc/12/70/82/571127082.db2.gz PYMDVJZHMRVQHK-NSHDSACASA-N -1 0 358.427 2.386 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(F)cc2)C1=O ZINC000408530322 558685727 /nfs/dbraw/zinc/68/57/27/558685727.db2.gz DZFHCXFZKLZXNY-CYBMUJFWSA-N -1 0 355.325 2.436 40 30 FEEBRM Cn1c(=O)c(/C=C2/C(=O)c3ccccc3N(C)C2=O)c([O-])c2ccccc21 ZINC000001087348 132380135 /nfs/dbraw/zinc/38/01/35/132380135.db2.gz XTQHDFIGPVLJGJ-PTNGSMBKSA-N -1 0 360.369 2.487 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408527958 558685766 /nfs/dbraw/zinc/68/57/66/558685766.db2.gz AKWOYGRTQHKELZ-PUFAJPFRSA-N -1 0 369.352 2.304 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408534986 558686402 /nfs/dbraw/zinc/68/64/02/558686402.db2.gz NEKADWMBDBCLJG-YQODDJSKSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2F)C1=O ZINC000408535875 558686480 /nfs/dbraw/zinc/68/64/80/558686480.db2.gz OWDRSMGYNWVZEM-NSHDSACASA-N -1 0 355.325 2.436 40 30 FEEBRM COc1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408741041 263495314 /nfs/dbraw/zinc/49/53/14/263495314.db2.gz NOEFKCWNGOIGNZ-MDBUFAAASA-N -1 0 353.403 2.462 40 30 FEEBRM C=CCSc1nnc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)s1 ZINC000225330533 519090290 /nfs/dbraw/zinc/09/02/90/519090290.db2.gz UICCOPGFEUSKNP-UHFFFAOYSA-N -1 0 370.481 2.440 40 30 FEEBRM COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCC(=O)[O-] ZINC000408979280 558689779 /nfs/dbraw/zinc/68/97/79/558689779.db2.gz MAIOXCRENPPTSG-UHFFFAOYSA-N -1 0 353.378 2.553 40 30 FEEBRM C=CCOc1c(Br)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000409049985 570716349 /nfs/dbraw/zinc/71/63/49/570716349.db2.gz ZENOGQZDVHWIQU-UXBLZVDNSA-N -1 0 353.172 2.203 40 30 FEEBRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000024260669 539728764 /nfs/dbraw/zinc/72/87/64/539728764.db2.gz CPIWPOYPSCWBCE-UHFFFAOYSA-N -1 0 374.418 2.190 40 30 FEEBRM C/N=C1\S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])C(=O)N1C ZINC000016322457 220182878 /nfs/dbraw/zinc/18/28/78/220182878.db2.gz QXKMRTXVTOIRFO-RPNAMAJXSA-N -1 0 350.396 2.079 40 30 FEEBRM C/C(=N\NC(N)=S)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100643605 222249373 /nfs/dbraw/zinc/24/93/73/222249373.db2.gz SWQAXEUFXIMKNG-RGVLZGJSSA-N -1 0 352.419 2.254 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000408527793 558685734 /nfs/dbraw/zinc/68/57/34/558685734.db2.gz ABTSPXHMZAVVPT-INIZCTEOSA-N -1 0 367.361 2.305 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408528386 558685849 /nfs/dbraw/zinc/68/58/49/558685849.db2.gz BDBRPWZETMBLCM-NGZBARDMSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408534984 558686349 /nfs/dbraw/zinc/68/63/49/558686349.db2.gz NEKADWMBDBCLJG-IXGURIBZSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1O[C@H](C)C(=O)[O-] ZINC000409009685 558690231 /nfs/dbraw/zinc/69/02/31/558690231.db2.gz HMAAQPCTCPRGFD-NCMFSIOGSA-N -1 0 360.326 2.296 40 30 FEEBRM COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408742670 263494941 /nfs/dbraw/zinc/49/49/41/263494941.db2.gz XRHNSVGILGREQA-BKQORJHRSA-N -1 0 353.403 2.462 40 30 FEEBRM COc1ccccc1CNC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408534985 558686362 /nfs/dbraw/zinc/68/63/62/558686362.db2.gz NEKADWMBDBCLJG-SVZNOHIVSA-N -1 0 365.389 2.474 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)cc1 ZINC000408535418 558686426 /nfs/dbraw/zinc/68/64/26/558686426.db2.gz OAQZROPKWLJJID-HNNXBMFYSA-N -1 0 355.325 2.436 40 30 FEEBRM C=C(C)C1(n2[n-]c(=O)n(C)c2=O)[C@@H]2CC[C@H]1c1c2c(F)c(F)c(F)c1F ZINC000045071212 540203233 /nfs/dbraw/zinc/20/32/33/540203233.db2.gz SEVZBARAHBYXQQ-PBFLXZGTSA-N -1 0 369.318 2.378 40 30 FEEBRM COc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C#N)cc3)C2=O)c1 ZINC000408527862 558686004 /nfs/dbraw/zinc/68/60/04/558686004.db2.gz AEIZHLHTJSSVOF-MRXNPFEDSA-N -1 0 362.345 2.168 40 30 FEEBRM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3F)C2=O)cc1 ZINC000408535700 558686355 /nfs/dbraw/zinc/68/63/55/558686355.db2.gz OMFGOZRTXDWNHY-ZDUSSCGKSA-N -1 0 355.325 2.436 40 30 FEEBRM N#Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408537689 558686848 /nfs/dbraw/zinc/68/68/48/558686848.db2.gz WRKGWLSZBPBFDS-CYBMUJFWSA-N -1 0 350.309 2.299 40 30 FEEBRM