smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 ZINC000003068623 552285003 /nfs/dbraw/zinc/28/50/03/552285003.db2.gz NVWFILHGSNUFOL-KPKJPENVSA-N 0 2 514.073 3.423 40 10 KGCBLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)c1 ZINC000008870449 553171705 /nfs/dbraw/zinc/17/17/05/553171705.db2.gz RAYJIXFHEISHKR-SFHVURJKSA-N 0 2 505.467 3.377 40 10 KGCBLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c2)c1 ZINC000008870450 553171748 /nfs/dbraw/zinc/17/17/48/553171748.db2.gz RAYJIXFHEISHKR-GOSISDBHSA-N 0 2 505.467 3.377 40 10 KGCBLN COC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000015013027 553525600 /nfs/dbraw/zinc/52/56/00/553525600.db2.gz PLQLSPFIDYLNIR-PXNMLYILSA-N 0 2 517.332 3.293 40 10 KGCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000020287662 553633136 /nfs/dbraw/zinc/63/31/36/553633136.db2.gz DULQNCUODQPGBP-QJOMJCCJSA-N 0 2 520.571 3.238 40 10 KGCBLN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000020287662 553633133 /nfs/dbraw/zinc/63/31/33/553633133.db2.gz DULQNCUODQPGBP-QJOMJCCJSA-N 0 2 520.571 3.238 40 10 KGCBLN COC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000059104143 554379509 /nfs/dbraw/zinc/37/95/09/554379509.db2.gz ZWQUDJRXKJIGKX-VGOFMYFVSA-N 0 2 503.261 3.236 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 ZINC000059104425 554379799 /nfs/dbraw/zinc/37/97/99/554379799.db2.gz VGKPOZYHSLLKAS-JCMHNJIXSA-N 0 2 502.527 3.406 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)cc1 ZINC000059484150 554397637 /nfs/dbraw/zinc/39/76/37/554397637.db2.gz WENIAPJNLDDVPA-ZSOIEALJSA-N 0 2 508.268 3.071 40 10 KGCBLN COc1cc2oc3c(c(=O)c2cc1OC)C(=O)c1c(ccc2cc4c(c(O)c21)C(=O)N1CCO[C@]1(C)C4)C3=O ZINC000060183164 554502463 /nfs/dbraw/zinc/50/24/63/554502463.db2.gz ORJRBJIJTSDUCG-GDLZYMKVSA-N 0 2 527.485 3.189 40 10 in-vitro KGCBLN COc1cc2oc3c(c(=O)c2cc1OC)C(=O)c1c(ccc2cc4c(c(O)c21)C(=O)N1CCO[C@@]1(C)C4)C3=O ZINC000060183166 554502396 /nfs/dbraw/zinc/50/23/96/554502396.db2.gz ORJRBJIJTSDUCG-LJAQVGFWSA-N 0 2 527.485 3.189 40 10 in-vitro KGCBLN Cc1c(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(=O)oc2c1cc1c3c2CCCN3CCC1 ZINC000072330374 553649402 /nfs/dbraw/zinc/64/94/02/553649402.db2.gz RIBDYOHTAQEBRP-FYJGNVAPSA-O 0 2 538.502 3.471 40 10 KGCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000100194030 554245792 /nfs/dbraw/zinc/24/57/92/554245792.db2.gz OJVOEMZHTINWAK-DHDCSXOGSA-N 0 2 522.295 3.374 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)c(OCC)c3)C2=O)cc1 ZINC000100241324 554260577 /nfs/dbraw/zinc/26/05/77/554260577.db2.gz VQXFAOBWNIKVCG-DHDCSXOGSA-N 0 2 522.295 3.461 40 10 KGCBLN COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000100252010 554262919 /nfs/dbraw/zinc/26/29/19/554262919.db2.gz AXKVJBKBFQNTJK-ODLFYWEKSA-N 0 2 533.468 3.247 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc(I)c1O ZINC000100321127 554305557 /nfs/dbraw/zinc/30/55/57/554305557.db2.gz NTOMGHZCMHRMEV-SDQBBNPISA-N 0 2 562.101 3.071 40 10 KGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000100380739 554362820 /nfs/dbraw/zinc/36/28/20/554362820.db2.gz RPQAQPHPGVGJNG-IZZDOVSWSA-N 0 2 532.075 3.063 40 10 KGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)c1 ZINC000100925615 554523878 /nfs/dbraw/zinc/52/38/78/554523878.db2.gz PBCBHGGFVZFHKY-BOPFTXTBSA-N 0 2 519.311 3.178 40 10 KGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)C1=O ZINC000100959042 554541751 /nfs/dbraw/zinc/54/17/51/554541751.db2.gz AFFNJHUYDCMUSQ-WQRHYEAKSA-N 0 2 545.349 3.277 40 10 KGCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5cc(O)cc(c54)C3=O)C2=O)cc1C ZINC000100959080 554541847 /nfs/dbraw/zinc/54/18/47/554541847.db2.gz HGJMZNYQCYNDRQ-YVLHZVERSA-N 0 2 549.337 3.192 40 10 KGCBLN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)cc2)nn1 ZINC000101001384 554552523 /nfs/dbraw/zinc/55/25/23/554552523.db2.gz GSIGSQBOEDWIKZ-AQTBWJFISA-N 0 2 541.636 3.126 40 10 KGCBLN CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000101527423 554794306 /nfs/dbraw/zinc/79/43/06/554794306.db2.gz RXMOPZIKFXOKSQ-SXGWCWSVSA-N 0 2 533.331 3.075 40 10 KGCBLN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101579311 554799813 /nfs/dbraw/zinc/79/98/13/554799813.db2.gz PYKNGBHGOMPMHU-XOYGFPHKSA-N 0 2 543.592 3.474 40 10 KGCBLN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000101579317 554799840 /nfs/dbraw/zinc/79/98/40/554799840.db2.gz PYKNGBHGOMPMHU-YJADQXIJSA-N 0 2 543.592 3.474 40 10 KGCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000101678287 554828158 /nfs/dbraw/zinc/82/81/58/554828158.db2.gz GGUOXERWCLEHDA-NTEUORMPSA-N 0 2 525.153 3.308 40 10 KGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000103841797 571362427 /nfs/dbraw/zinc/36/24/27/571362427.db2.gz PWAJRSIUQFJRJU-UDWIEESQSA-N 0 2 529.505 3.416 40 10 KGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000103842495 571362558 /nfs/dbraw/zinc/36/25/58/571362558.db2.gz WLKXRKFVSYJYTO-RUDMXATFSA-N 0 2 531.056 3.042 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000103842613 571362551 /nfs/dbraw/zinc/36/25/51/571362551.db2.gz LTTJVBAZCODCAY-VXLYETTFSA-N 0 2 533.468 3.247 40 10 KGCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000103844491 571362894 /nfs/dbraw/zinc/36/28/94/571362894.db2.gz FKLZDFWAVAHZKJ-VIZOYTHASA-N 0 2 608.341 3.027 40 10 KGCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3O)C2=O)c1 ZINC000103844526 571362947 /nfs/dbraw/zinc/36/29/47/571362947.db2.gz YLOJNPKCVXPBJA-OQLLNIDSSA-N 0 2 552.321 3.469 40 10 KGCBLN CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000103844626 571362926 /nfs/dbraw/zinc/36/29/26/571362926.db2.gz SAXWCBDGEOJGJA-MLPAPPSSSA-N 0 2 536.278 3.094 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCC ZINC000103844994 571363077 /nfs/dbraw/zinc/36/30/77/571363077.db2.gz IOQYXUCGFNJYOR-VGOFMYFVSA-N 0 2 550.305 3.484 40 10 KGCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC ZINC000103845988 571363184 /nfs/dbraw/zinc/36/31/84/571363184.db2.gz OIEFOQMIJUGHRQ-VIZOYTHASA-N 0 2 561.341 3.185 40 10 KGCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(=O)OC)C2=O)c1 ZINC000103846089 571363332 /nfs/dbraw/zinc/36/33/32/571363332.db2.gz HCZXCIBDFMUTAI-GZTJUZNOSA-N 0 2 547.358 3.465 40 10 KGCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000103849168 571364058 /nfs/dbraw/zinc/36/40/58/571364058.db2.gz NACHOAOLTFZOKD-WUXMJOGZSA-N 0 2 511.203 3.014 40 10 KGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I ZINC000103849739 571364084 /nfs/dbraw/zinc/36/40/84/571364084.db2.gz BCHNQOVSFNQUQG-OQLLNIDSSA-N 0 2 538.269 3.039 40 10 KGCBLN CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849909 571364306 /nfs/dbraw/zinc/36/43/06/571364306.db2.gz BXNHJWRWQAVUAB-OVCLIPMQSA-N 0 2 521.295 3.205 40 10 KGCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103849955 571364311 /nfs/dbraw/zinc/36/43/11/571364311.db2.gz KGZAHQQAVXKYRE-OVCLIPMQSA-N 0 2 568.295 3.047 40 10 KGCBLN CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000103850047 571364346 /nfs/dbraw/zinc/36/43/46/571364346.db2.gz RSQSXLJXGHZMLG-OVCLIPMQSA-N 0 2 521.295 3.205 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)OC ZINC000103850392 571364433 /nfs/dbraw/zinc/36/44/33/571364433.db2.gz HLFGUBUFNAKEIC-OVCLIPMQSA-N 0 2 521.295 3.205 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)OC ZINC000103850447 571364441 /nfs/dbraw/zinc/36/44/41/571364441.db2.gz CKACFMBKEFRDND-OVCLIPMQSA-N 0 2 568.295 3.047 40 10 KGCBLN CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OCC ZINC000103850453 571364459 /nfs/dbraw/zinc/36/44/59/571364459.db2.gz SCDWOWQUQORJBH-CXUHLZMHSA-N 0 2 582.322 3.437 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000103850558 571364705 /nfs/dbraw/zinc/36/47/05/571364705.db2.gz AYFBEUSDGXUDCQ-OVCLIPMQSA-N 0 2 521.295 3.205 40 10 KGCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858467 571366571 /nfs/dbraw/zinc/36/65/71/571366571.db2.gz FNKXXDSOORDUFT-RIYZIHGNSA-N 0 2 538.148 3.430 40 10 KGCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000103858782 571366804 /nfs/dbraw/zinc/36/68/04/571366804.db2.gz MHAYMOBAOIZBFH-VGOFMYFVSA-N 0 2 523.723 3.329 40 10 KGCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000103858851 571366806 /nfs/dbraw/zinc/36/68/06/571366806.db2.gz RHAGEIQPFWWXTE-VGOFMYFVSA-N 0 2 615.174 3.281 40 10 KGCBLN COC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000103858899 571366939 /nfs/dbraw/zinc/36/69/39/571366939.db2.gz VVXYMDOWWTWRIK-VGOFMYFVSA-N 0 2 568.174 3.438 40 10 KGCBLN COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000103859710 571367233 /nfs/dbraw/zinc/36/72/33/571367233.db2.gz BRJMGVVEPFXKTM-OQLLNIDSSA-N 0 2 538.148 3.430 40 10 KGCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000103869900 571368212 /nfs/dbraw/zinc/36/82/12/571368212.db2.gz VFOYOOKBDFZZHT-NTEUORMPSA-N 0 2 525.153 3.308 40 10 KGCBLN COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920086 571369761 /nfs/dbraw/zinc/36/97/61/571369761.db2.gz HUSZGXDYECTDAU-ULJHMMPZSA-N 0 2 550.597 3.246 40 10 KGCBLN COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920086 571369760 /nfs/dbraw/zinc/36/97/60/571369760.db2.gz HUSZGXDYECTDAU-ULJHMMPZSA-N 0 2 550.597 3.246 40 10 KGCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920093 571369685 /nfs/dbraw/zinc/36/96/85/571369685.db2.gz FIBRNPQRXCWNJJ-KQWNVCNZSA-N 0 2 538.561 3.377 40 10 KGCBLN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920093 571369683 /nfs/dbraw/zinc/36/96/83/571369683.db2.gz FIBRNPQRXCWNJJ-KQWNVCNZSA-N 0 2 538.561 3.377 40 10 KGCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103920100 571369708 /nfs/dbraw/zinc/36/97/08/571369708.db2.gz LSTNPMNYDRHAND-KQWNVCNZSA-N 0 2 565.568 3.146 40 10 KGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000103920276 571369746 /nfs/dbraw/zinc/36/97/46/571369746.db2.gz UJFVSZHUCSRCGY-XKZIYDEJSA-N 0 2 512.475 3.050 40 10 KGCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000112240065 571435045 /nfs/dbraw/zinc/43/50/45/571435045.db2.gz CZOUHESSQPIVFM-JLPGSUDCSA-N 0 2 550.553 3.442 40 10 KGCBLN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000150444575 571499819 /nfs/dbraw/zinc/49/98/19/571499819.db2.gz BLUAVULBWPZMKL-FMQUCBEESA-N 0 2 678.708 3.204 40 10 KGCBLN O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000150444579 571499800 /nfs/dbraw/zinc/49/98/00/571499800.db2.gz URINANFQTVKPGP-FMQUCBEESA-N 0 2 678.708 3.204 40 10 KGCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223143137 571435792 /nfs/dbraw/zinc/43/57/92/571435792.db2.gz PVOJXYCRQBWGBJ-JWQCQUIFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223143188 571435736 /nfs/dbraw/zinc/43/57/36/571435736.db2.gz PVOJXYCRQBWGBJ-RPBOFIJWSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223143248 571435827 /nfs/dbraw/zinc/43/58/27/571435827.db2.gz PVOJXYCRQBWGBJ-LOSJGSFVSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000223143302 571435820 /nfs/dbraw/zinc/43/58/20/571435820.db2.gz PVOJXYCRQBWGBJ-DQEYMECFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223143381 571435750 /nfs/dbraw/zinc/43/57/50/571435750.db2.gz GRBJCZMIMJPBET-JWQCQUIFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223143438 571435830 /nfs/dbraw/zinc/43/58/30/571435830.db2.gz GRBJCZMIMJPBET-RPBOFIJWSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223143489 571435767 /nfs/dbraw/zinc/43/57/67/571435767.db2.gz GRBJCZMIMJPBET-LOSJGSFVSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000223143535 571435775 /nfs/dbraw/zinc/43/57/75/571435775.db2.gz GRBJCZMIMJPBET-DQEYMECFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223143633 571435815 /nfs/dbraw/zinc/43/58/15/571435815.db2.gz PUQWUJACXIWWBE-JWQCQUIFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223143690 571435745 /nfs/dbraw/zinc/43/57/45/571435745.db2.gz PUQWUJACXIWWBE-RPBOFIJWSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223143742 571435780 /nfs/dbraw/zinc/43/57/80/571435780.db2.gz PUQWUJACXIWWBE-LOSJGSFVSA-N 0 2 505.644 3.492 40 10 KGCBLN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000223143811 571435808 /nfs/dbraw/zinc/43/58/08/571435808.db2.gz PUQWUJACXIWWBE-DQEYMECFSA-N 0 2 505.644 3.492 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O ZINC000408526200 572157293 /nfs/dbraw/zinc/15/72/93/572157293.db2.gz AZCNHFIOYZMYGB-PYCFMQQDSA-N 0 2 586.052 3.436 40 10 KGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1=O ZINC000408526223 572156897 /nfs/dbraw/zinc/15/68/97/572156897.db2.gz AJCBWVYVBPEBOP-OQLLNIDSSA-N 0 2 504.253 3.407 40 10 KGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)c1 ZINC000408526258 572157077 /nfs/dbraw/zinc/15/70/77/572157077.db2.gz BGRHBTWXAZUTIY-FCDQGJHFSA-N 0 2 565.634 3.091 40 10 KGCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5cccc(c54)C3=O)C2=O)ccc1Br ZINC000408526279 572157136 /nfs/dbraw/zinc/15/71/36/572157136.db2.gz APPSYXYOFMIWPY-GZTJUZNOSA-N 0 2 533.338 3.487 40 10 KGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000408526288 572156886 /nfs/dbraw/zinc/15/68/86/572156886.db2.gz ARGWIDUYRLTVMN-HEHNFIMWSA-N 0 2 537.580 3.482 40 10 KGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c(N3CCCC3)cc2[nH]1 ZINC000408526309 572157253 /nfs/dbraw/zinc/15/72/53/572157253.db2.gz BPMNOJFXJIIQFH-SDNWHVSQSA-N 0 2 511.336 3.210 40 10 KGCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1C ZINC000408526330 572157773 /nfs/dbraw/zinc/15/77/73/572157773.db2.gz AZOHGQDODOBLKY-DTQAZKPQSA-N 0 2 567.444 3.435 40 10 KGCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2n(CC)c1=O ZINC000408526517 572157907 /nfs/dbraw/zinc/15/79/07/572157907.db2.gz CIDPDHWEPJHASI-QINSGFPZSA-N 0 2 528.363 3.193 40 10 KGCBLN CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)s1 ZINC000408526560 572157527 /nfs/dbraw/zinc/15/75/27/572157527.db2.gz CLVFNKXJOZIIIZ-LDADJPATSA-N 0 2 504.572 3.857 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2n(C)c1=O ZINC000408526567 572157538 /nfs/dbraw/zinc/15/75/38/572157538.db2.gz BMZYZFUMCYNEIM-PYCFMQQDSA-N 0 2 586.052 3.436 40 10 KGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O ZINC000408526844 572159029 /nfs/dbraw/zinc/15/90/29/572159029.db2.gz DEKDYDAHOYGFBT-XFXZXTDPSA-N 0 2 563.206 3.289 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c(N3CCCCC3)cc2n(C)c1=O ZINC000408526904 572159036 /nfs/dbraw/zinc/15/90/36/572159036.db2.gz CQUPNQXSMMONOR-SAPNQHFASA-N 0 2 553.417 3.209 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000408527119 572159353 /nfs/dbraw/zinc/15/93/53/572159353.db2.gz FAPXZDRDKYSBRD-FXBPSFAMSA-N 0 2 537.580 3.482 40 10 KGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O ZINC000408527128 572159427 /nfs/dbraw/zinc/15/94/27/572159427.db2.gz CTHJKBMAGJPWNZ-LVZFUZTISA-N 0 2 537.580 3.482 40 10 KGCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCN(c3ccccc3)CC2)C1=O ZINC000408527194 572159761 /nfs/dbraw/zinc/15/97/61/572159761.db2.gz CYUIVLRBOBOMHG-HTXNQAPBSA-N 0 2 553.579 3.183 40 10 KGCBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4CC)C3=O)cc2)s1 ZINC000408527251 572159782 /nfs/dbraw/zinc/15/97/82/572159782.db2.gz FOJCFPMDCYGBCD-GHRIWEEISA-N 0 2 526.600 3.043 40 10 KGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5cccc(c54)C3=O)C2=O)c(C)cc1Br ZINC000408527403 572160238 /nfs/dbraw/zinc/16/02/38/572160238.db2.gz DKUNUSHZMXOFLK-GZTJUZNOSA-N 0 2 533.338 3.487 40 10 KGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCOCC2)C1=O ZINC000408527449 572160114 /nfs/dbraw/zinc/16/01/14/572160114.db2.gz DMYCSJCKQYBDFC-NTCAYCPXSA-N 0 2 555.389 3.009 40 10 KGCBLN COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)cc2)nc(OC)n1 ZINC000408527738 572161526 /nfs/dbraw/zinc/16/15/26/572161526.db2.gz GIDWJRRKKTXRAY-SFQUDFHCSA-N 0 2 631.465 3.253 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000408527848 572161979 /nfs/dbraw/zinc/16/19/79/572161979.db2.gz GPDQBFWNIZDNEG-JCMHNJIXSA-N 0 2 506.540 3.383 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)NCc4ccccc4)cc3)C2=O)cc1 ZINC000408528219 572163110 /nfs/dbraw/zinc/16/31/10/572163110.db2.gz FPWAWXDHEOIDFL-HAVVHWLPSA-N 0 2 520.567 3.143 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(Br)ccc(c54)C3=O)C2=O)cc1C ZINC000408528319 572163898 /nfs/dbraw/zinc/16/38/98/572163898.db2.gz HHQOFZRFOQRBDJ-WOJGMQOQSA-N 0 2 533.338 3.487 40 10 KGCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C1=O)n(C)c(=O)n2C ZINC000408528509 572164528 /nfs/dbraw/zinc/16/45/28/572164528.db2.gz HUIVPLGATJCYFN-DTQAZKPQSA-N 0 2 555.433 3.373 40 10 KGCBLN COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)c(OC)c2)C1=O ZINC000408528526 572164509 /nfs/dbraw/zinc/16/45/09/572164509.db2.gz BMJPLGKVSXHQJC-GZTJUZNOSA-N 0 2 516.462 3.318 40 10 KGCBLN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2)cc1 ZINC000408529035 572166688 /nfs/dbraw/zinc/16/66/88/572166688.db2.gz GUHWRMHQUOTSPV-HMMYKYKNSA-N 0 2 522.539 3.083 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)c(C)c1 ZINC000408529079 572166671 /nfs/dbraw/zinc/16/66/71/572166671.db2.gz IGUIOKQUULFPHB-DEDYPNTBSA-N 0 2 520.571 3.090 40 10 KGCBLN COc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000408529110 572166601 /nfs/dbraw/zinc/16/66/01/572166601.db2.gz CCMIEZVVXAWRNE-QGOAFFKASA-N 0 2 517.450 3.498 40 10 KGCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)C2=O)c1 ZINC000408529352 572167969 /nfs/dbraw/zinc/16/79/69/572167969.db2.gz CRROQISGDDZMKT-VXLYETTFSA-N 0 2 516.462 3.318 40 10 KGCBLN Cc1c(Br)ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)c1C ZINC000408529672 572169407 /nfs/dbraw/zinc/16/94/07/572169407.db2.gz HORHDHZOOOPZAE-FMIVXFBMSA-N 0 2 513.352 3.293 40 10 KGCBLN COc1cc(NS(=O)(=O)c2ccc(NC=C3C(C)=NN(c4cccc(C)c4)C3=O)cc2)nc(OC)n1 ZINC000408529680 572169248 /nfs/dbraw/zinc/16/92/48/572169248.db2.gz HOTXKXHNUUVOHF-ZHZULCJRSA-N 0 2 508.560 3.322 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4cccc5ccccc54)C3=O)c(N3CCCC3)cc2n(C)c1=O ZINC000408530161 572170953 /nfs/dbraw/zinc/17/09/53/572170953.db2.gz IUCOKYKHPFLPEK-KNTRCKAVSA-N 0 2 510.554 3.209 40 10 KGCBLN CCN(CC)c1cc2c(cc1NC=C1C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)n(C)c(=O)n2C ZINC000408530191 572170874 /nfs/dbraw/zinc/17/08/74/572170874.db2.gz IXXQDZGEEKOAST-DTQAZKPQSA-N 0 2 541.406 3.065 40 10 KGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C1=O ZINC000408530547 572172198 /nfs/dbraw/zinc/17/21/98/572172198.db2.gz MDTDVBJFGHJECR-BSYVCWPDSA-N 0 2 579.661 3.345 40 10 KGCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc2n(CC)c1=O ZINC000408530943 572173990 /nfs/dbraw/zinc/17/39/90/572173990.db2.gz JVYUSEPYEJHWIA-VBKFSLOCSA-N 0 2 512.364 3.493 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)cc1C ZINC000408530989 572173946 /nfs/dbraw/zinc/17/39/46/572173946.db2.gz JYQBVKZDXRRDMW-XDJHFCHBSA-N 0 2 502.575 3.063 40 10 KGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(C(=O)N3CCOCC3)cc2)C1=O ZINC000408531028 572174515 /nfs/dbraw/zinc/17/45/15/572174515.db2.gz KCQZCCHMHUYVAO-XMHGGMMESA-N 0 2 527.375 3.063 40 10 KGCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccccc4OC)C3=O)cc2n(CC)c1=O ZINC000408531219 572175063 /nfs/dbraw/zinc/17/50/63/572175063.db2.gz NNGWTIJRIIDMOS-OUKQBFOZSA-N 0 2 528.363 3.193 40 10 KGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)C1=O ZINC000408531298 572175452 /nfs/dbraw/zinc/17/54/52/572175452.db2.gz NRRMYTQJGXCWAD-XSFVSMFZSA-N 0 2 520.571 3.035 40 10 KGCBLN CCn1c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2n(CC)c1=O ZINC000408531438 572176062 /nfs/dbraw/zinc/17/60/62/572176062.db2.gz OBZGIUOMRAUPPY-NTCAYCPXSA-N 0 2 512.364 3.493 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)cc1 ZINC000408531486 572176194 /nfs/dbraw/zinc/17/61/94/572176194.db2.gz KPGQWSXIJDBKKO-HIXSDJFHSA-N 0 2 595.660 3.181 40 10 KGCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)c1 ZINC000408531516 572176217 /nfs/dbraw/zinc/17/62/17/572176217.db2.gz GZCZWXFXALDHCF-UDWIEESQSA-N 0 2 517.450 3.498 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(N3CCCCC3)cc2n(C)c1=O ZINC000408531615 572176761 /nfs/dbraw/zinc/17/67/61/572176761.db2.gz KXXQWEFNNXTNBP-CCEZHUSRSA-N 0 2 508.966 3.100 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)cc1 ZINC000408531684 572176954 /nfs/dbraw/zinc/17/69/54/572176954.db2.gz LDVMAALBCZEQNA-NMWGTECJSA-N 0 2 565.634 3.091 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1 ZINC000408531898 572178098 /nfs/dbraw/zinc/17/80/98/572178098.db2.gz PANAMOMDGMPFSQ-XQNSMLJCSA-N 0 2 536.566 3.474 40 10 KGCBLN CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4c(C)cc(C)cc4C)C3=O)cc2)s1 ZINC000408532042 572178156 /nfs/dbraw/zinc/17/81/56/572178156.db2.gz LUUCQPYHBVDQIT-LDADJPATSA-N 0 2 540.627 3.405 40 10 KGCBLN COc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)cc1 ZINC000408532093 572178702 /nfs/dbraw/zinc/17/87/02/572178702.db2.gz LYJBFJMWJNEVAF-RCCKNPSSSA-N 0 2 506.540 3.383 40 10 KGCBLN CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)s1 ZINC000408532268 572179093 /nfs/dbraw/zinc/17/90/93/572179093.db2.gz MFKPBFNQVJIHBH-LFIBNONCSA-N 0 2 555.414 4.003 40 10 KGCBLN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc21 ZINC000408532389 572179687 /nfs/dbraw/zinc/17/96/87/572179687.db2.gz MNCLKOYKCZOVBN-SDNWHVSQSA-N 0 2 557.361 3.401 40 10 KGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c(N3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000408532508 572180116 /nfs/dbraw/zinc/18/01/16/572180116.db2.gz MXJMVHDIBFCCRN-LVZFUZTISA-N 0 2 523.553 3.174 40 10 KGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(C)=O ZINC000408532546 572180181 /nfs/dbraw/zinc/18/01/81/572180181.db2.gz IIKJDVQZXIFXMW-YBEGLDIGSA-N 0 2 520.279 3.282 40 10 KGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c(C)cc1Br ZINC000408532669 572180642 /nfs/dbraw/zinc/18/06/42/572180642.db2.gz QSLCDZOZAFMLHB-SDNWHVSQSA-N 0 2 555.389 3.063 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)c(C)c1 ZINC000408532965 572181721 /nfs/dbraw/zinc/18/17/21/572181721.db2.gz NLJNWXQPDZCUEX-OBGWFSINSA-N 0 2 502.575 3.063 40 10 KGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)ccc1Br ZINC000408533611 572184148 /nfs/dbraw/zinc/18/41/48/572184148.db2.gz ONVDOSRPBUULGX-DTQAZKPQSA-N 0 2 553.417 3.127 40 10 KGCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000408533652 572184137 /nfs/dbraw/zinc/18/41/37/572184137.db2.gz OSEUQPXSIUBXGD-KGENOOAVSA-N 0 2 502.486 3.359 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4C)cc3OC)C2=O)cc1 ZINC000408533750 572184443 /nfs/dbraw/zinc/18/44/43/572184443.db2.gz PAOAGYZANCHJGO-HKWRFOASSA-N 0 2 536.566 3.392 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3)C2=O)cc1 ZINC000408533782 572184485 /nfs/dbraw/zinc/18/44/85/572184485.db2.gz PCYFTIMTRQXGDM-HKWRFOASSA-N 0 2 522.539 3.083 40 10 KGCBLN COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408533879 572184912 /nfs/dbraw/zinc/18/49/12/572184912.db2.gz PLNSFCOETSWNRJ-JQIJEIRASA-N 0 2 518.979 3.102 40 10 KGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4cc(O)cc(c43)C2=O)C1=O ZINC000408534122 572185311 /nfs/dbraw/zinc/18/53/11/572185311.db2.gz UWHZHWDBYHGEJL-WOJGMQOQSA-N 0 2 549.337 3.138 40 10 KGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2OC)C1=O ZINC000408534188 572185332 /nfs/dbraw/zinc/18/53/32/572185332.db2.gz VGVXSKKECWKADS-KNTRCKAVSA-N 0 2 512.588 3.011 40 10 KGCBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)CCO)cc1 ZINC000408534260 572185721 /nfs/dbraw/zinc/18/57/21/572185721.db2.gz QADQLQMZHIVMIK-KOEQRZSOSA-N 0 2 549.649 3.499 40 10 KGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)C1=O ZINC000408534592 572186424 /nfs/dbraw/zinc/18/64/24/572186424.db2.gz WDVPRYSQQCQASW-QGOAFFKASA-N 0 2 631.465 3.198 40 10 KGCBLN COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408534709 572186506 /nfs/dbraw/zinc/18/65/06/572186506.db2.gz WMLHFJUQGYIPQX-XDJHFCHBSA-N 0 2 512.588 3.065 40 10 KGCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)cc1C ZINC000408534812 572186897 /nfs/dbraw/zinc/18/68/97/572186897.db2.gz RIDCRCQYENFZDA-SSZFMOIBSA-N 0 2 567.444 3.435 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc5c(c4)OCO5)c(OC)c3)C2=O)cc1 ZINC000408534834 572187001 /nfs/dbraw/zinc/18/70/01/572187001.db2.gz MQCXFMSPLCDSOO-YBFXNURJSA-N 0 2 516.462 3.318 40 10 KGCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3[N+](=O)[O-])C2=O)ccc1Br ZINC000408534900 572187643 /nfs/dbraw/zinc/18/76/43/572187643.db2.gz RQNPNXMQLBLDAP-JXMROGBWSA-N 0 2 515.280 3.135 40 10 KGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNN2C(=O)c3cccc4c(Br)ccc(c43)C2=O)C1=O ZINC000408535062 572187613 /nfs/dbraw/zinc/18/76/13/572187613.db2.gz XKUXFXYJPKJOAH-LFIBNONCSA-N 0 2 519.311 3.178 40 10 KGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)c1 ZINC000408535136 572187767 /nfs/dbraw/zinc/18/77/67/572187767.db2.gz XTAGKAJMMZUVPI-FCDQGJHFSA-N 0 2 579.661 3.399 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(C)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)cc1 ZINC000408535402 572188250 /nfs/dbraw/zinc/18/82/50/572188250.db2.gz SOMUKHAOPFTFKW-UCQKPKSFSA-N 0 2 510.506 3.379 40 10 KGCBLN CC1=NN(c2ccc(I)cc2)C(=O)C1C=Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000408535467 572188627 /nfs/dbraw/zinc/18/86/27/572188627.db2.gz SUNSPOXMEWVZEU-UVTDQMKNSA-N 0 2 532.298 3.108 40 10 KGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)c1C ZINC000408535978 572190362 /nfs/dbraw/zinc/19/03/62/572190362.db2.gz UYZKAMUMYJUWEP-NMWGTECJSA-N 0 2 579.661 3.399 40 10 KGCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O ZINC000408535988 572190196 /nfs/dbraw/zinc/19/01/96/572190196.db2.gz VBYPFIFJSWQGDR-HMMYKYKNSA-N 0 2 506.540 3.383 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000408536237 572190600 /nfs/dbraw/zinc/19/06/00/572190600.db2.gz QPDRTENVECCXHL-MHWRWJLKSA-N 0 2 504.426 3.449 40 10 KGCBLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)n1 ZINC000408536262 572190768 /nfs/dbraw/zinc/19/07/68/572190768.db2.gz VOCYLQLVHBVKBM-SFQUDFHCSA-N 0 2 526.962 3.126 40 10 KGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)C2=O)ccc1Br ZINC000408536290 572190590 /nfs/dbraw/zinc/19/05/90/572190590.db2.gz VUGDKNJDRPQKLJ-XSFVSMFZSA-N 0 2 604.417 3.015 40 10 KGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)C1=O ZINC000408536502 572191141 /nfs/dbraw/zinc/19/11/41/572191141.db2.gz WPIJKGPAOMEZCA-SSZFMOIBSA-N 0 2 553.417 3.127 40 10 KGCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)c(C)c1 ZINC000408536522 572191214 /nfs/dbraw/zinc/19/12/14/572191214.db2.gz WRLNTLODTBBKBI-XDJHFCHBSA-N 0 2 516.602 3.371 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)c(C)c1 ZINC000408536656 572191703 /nfs/dbraw/zinc/19/17/03/572191703.db2.gz XAPUHGHOHBXNRJ-FCDQGJHFSA-N 0 2 579.661 3.399 40 10 KGCBLN COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=C1C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408536787 572192337 /nfs/dbraw/zinc/19/23/37/572192337.db2.gz YBGXKLYHHONIKV-OBGWFSINSA-N 0 2 522.539 3.083 40 10 KGCBLN CCC(=O)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1OC ZINC000408536900 572192706 /nfs/dbraw/zinc/19/27/06/572192706.db2.gz TWLNWIJWSKBNLA-GDNBJRDFSA-N 0 2 520.279 3.282 40 10 KGCBLN Cn1c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCCCC3)cc2n(C)c1=O ZINC000408537054 572193393 /nfs/dbraw/zinc/19/33/93/572193393.db2.gz YXUNGPHURIWSBP-VKAVYKQESA-N 0 2 508.966 3.100 40 10 KGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3c(cc2N2CCN(c4ccccc4)CC2)n(C)c(=O)n3C)C1=O ZINC000408537245 572193778 /nfs/dbraw/zinc/19/37/78/572193778.db2.gz ZSWKSNCANFNTDV-ZBJSNUHESA-N 0 2 565.634 3.091 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 ZINC000408537781 572196240 /nfs/dbraw/zinc/19/62/40/572196240.db2.gz XEUMVPHJOXAEGG-DEDYPNTBSA-N 0 2 517.450 3.498 40 10 KGCBLN COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(N4CC[NH+](C)CC4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1 ZINC000408634236 572291260 /nfs/dbraw/zinc/29/12/60/572291260.db2.gz SLROCRJDTLDSEF-SRZZPIQSSA-N 0 2 526.575 3.367 40 10 KGCBLN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000408692839 1059694060 /nfs/dbraw/zinc/69/40/60/1059694060.db2.gz WOBBQBSUTBNENR-BJMVGYQFSA-N 0 2 552.106 3.006 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OC)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408740120 1059718730 /nfs/dbraw/zinc/71/87/30/1059718730.db2.gz IKGLTBXEUHDLKU-RIYZIHGNSA-N 0 2 537.266 3.273 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCC(=O)OC ZINC000408755368 1059718665 /nfs/dbraw/zinc/71/86/65/1059718665.db2.gz KXAYYRIZWMMMPZ-MHWRWJLKSA-N 0 2 517.332 3.374 40 10 KGCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(O)cc3O)C2=O)ccc1Br ZINC000408759220 1059720541 /nfs/dbraw/zinc/72/05/41/1059720541.db2.gz ZYHDCSKCHHHEMJ-VZUCSPMQSA-N 0 2 543.111 3.440 40 10 KGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC ZINC000408760683 1059720377 /nfs/dbraw/zinc/72/03/77/1059720377.db2.gz DAYGLFMXVAUHGF-MHWRWJLKSA-N 0 2 517.332 3.374 40 10 KGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1I ZINC000408768932 1059727042 /nfs/dbraw/zinc/72/70/42/1059727042.db2.gz MIPGDBIWLMJOFQ-MHWRWJLKSA-N 0 2 534.306 3.208 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)OC ZINC000408771789 1059021527 /nfs/dbraw/zinc/02/15/27/1059021527.db2.gz KEMWBLCGSWSTNI-CXUHLZMHSA-N 0 2 517.332 3.374 40 10 KGCBLN COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408771972 1059021572 /nfs/dbraw/zinc/02/15/72/1059021572.db2.gz LZBHBNMKFFUFHV-VGOFMYFVSA-N 0 2 570.723 3.171 40 10 KGCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I ZINC000408772762 1059724925 /nfs/dbraw/zinc/72/49/25/1059724925.db2.gz QZWGAFMGWTYODW-CXUHLZMHSA-N 0 2 534.306 3.126 40 10 KGCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408773218 1059724681 /nfs/dbraw/zinc/72/46/81/1059724681.db2.gz HKQQSJQKADWEJD-NTUHNPAUSA-N 0 2 507.240 3.183 40 10 KGCBLN COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000408775462 1059022095 /nfs/dbraw/zinc/02/20/95/1059022095.db2.gz HKBISTNEFOYBSR-VGOFMYFVSA-N 0 2 521.267 3.491 40 10 KGCBLN 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COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409046344 1059839309 /nfs/dbraw/zinc/83/93/09/1059839309.db2.gz KFFBDAGBGDIFJE-DEDYPNTBSA-N 0 2 516.466 3.287 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409046643 1059839106 /nfs/dbraw/zinc/83/91/06/1059839106.db2.gz KVFCMWDCBZDXFP-OEAKJJBVSA-N 0 2 543.532 3.474 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 ZINC000409047063 1059839263 /nfs/dbraw/zinc/83/92/63/1059839263.db2.gz MLQMKVJOHNZZIU-HMAPJEAMSA-N 0 2 543.532 3.474 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000409048203 1059850397 /nfs/dbraw/zinc/85/03/97/1059850397.db2.gz RHQMZUAXOHJCKV-PXLXIMEGSA-N 0 2 513.506 3.466 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409049936 1059850309 /nfs/dbraw/zinc/85/03/09/1059850309.db2.gz YVFONBAUBQZUNQ-UDWIEESQSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409050017 1059849623 /nfs/dbraw/zinc/84/96/23/1059849623.db2.gz ZMHMMZFPPIXJAN-BKUYFWCQSA-N 0 2 501.495 3.393 40 10 KGCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000409057528 1059055901 /nfs/dbraw/zinc/05/59/01/1059055901.db2.gz PQCZXFACDJGKCL-LFYBBSHMSA-N 0 2 511.082 3.492 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1 ZINC000409057766 1059055992 /nfs/dbraw/zinc/05/59/92/1059055992.db2.gz QRZCZKWZJDIOIR-KGENOOAVSA-N 0 2 529.505 3.166 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1 ZINC000409060190 1059855461 /nfs/dbraw/zinc/85/54/61/1059855461.db2.gz YEBYAMKSODIXDA-HZHRSRAPSA-N 0 2 513.506 3.466 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000409063738 1059853502 /nfs/dbraw/zinc/85/35/02/1059853502.db2.gz MLMZYZXPPYVFAL-NDENLUEZSA-N 0 2 516.466 3.287 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409064178 1059853076 /nfs/dbraw/zinc/85/30/76/1059853076.db2.gz CIMXVRSYRKZFMK-XSFVSMFZSA-N 0 2 508.508 3.225 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409066501 1059852260 /nfs/dbraw/zinc/85/22/60/1059852260.db2.gz OWQAKSYTQZDCKH-XDHOZWIPSA-N 0 2 528.926 3.488 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409067319 1059856311 /nfs/dbraw/zinc/85/63/11/1059856311.db2.gz QFDKBUVQFHLMRC-RCCKNPSSSA-N 0 2 550.545 3.306 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409067888 1059859120 /nfs/dbraw/zinc/85/91/20/1059859120.db2.gz QNGZMWFTQDLVID-DEDYPNTBSA-N 0 2 537.506 3.428 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409070842 1059857917 /nfs/dbraw/zinc/85/79/17/1059857917.db2.gz MFSNDPVSVBIBJE-WOJGMQOQSA-N 0 2 528.926 3.488 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409073059 1059856770 /nfs/dbraw/zinc/85/67/70/1059856770.db2.gz OPOOXQGVBJVYAG-XDHOZWIPSA-N 0 2 523.479 3.038 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409073563 1059856820 /nfs/dbraw/zinc/85/68/20/1059856820.db2.gz ZYPMMNYLMFWNAG-CPNJWEJPSA-N 0 2 523.479 3.038 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409073967 1059856715 /nfs/dbraw/zinc/85/67/15/1059856715.db2.gz ONRPGKZXXHHZMH-WOJGMQOQSA-N 0 2 620.377 3.440 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409074835 1059056388 /nfs/dbraw/zinc/05/63/88/1059056388.db2.gz SJDOELMPILRRDS-XSFVSMFZSA-N 0 2 537.506 3.428 40 10 KGCBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 ZINC000409075391 1059856901 /nfs/dbraw/zinc/85/69/01/1059856901.db2.gz YAQQQWDTYOVBSA-STZFKDTASA-N 0 2 507.480 3.337 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(N)=O ZINC000409217527 1059936072 /nfs/dbraw/zinc/93/60/72/1059936072.db2.gz CWTKGVROAPPRMU-NYYWCZLTSA-N 0 2 590.157 3.137 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OCC ZINC000409218172 1059935301 /nfs/dbraw/zinc/93/53/01/1059935301.db2.gz DEIVBJBYYFRRIK-LICLKQGHSA-N 0 2 545.976 3.457 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1 ZINC000409218778 1059935638 /nfs/dbraw/zinc/93/56/38/1059935638.db2.gz GYOIRNZLMGYBOE-VGOFMYFVSA-N 0 2 567.190 3.141 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1OC ZINC000409218858 1059935502 /nfs/dbraw/zinc/93/55/02/1059935502.db2.gz HUICJWCTCOSJOH-VGOFMYFVSA-N 0 2 522.341 3.321 40 10 KGCBLN NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409219095 1059935569 /nfs/dbraw/zinc/93/55/69/1059935569.db2.gz IWUMRNMTPGFMGO-WUXMJOGZSA-N 0 2 513.131 3.286 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(N)=O ZINC000409219210 1059934756 /nfs/dbraw/zinc/93/47/56/1059934756.db2.gz OHFOIVNXHQDQFD-NTUHNPAUSA-N 0 2 583.766 3.182 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC(N)=O ZINC000409219274 1059935346 /nfs/dbraw/zinc/93/53/46/1059935346.db2.gz PAIWDGXFBKJWJH-MKMNVTDBSA-N 0 2 583.766 3.182 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OC)c3)C2=O)cc1OCC ZINC000409219313 1059935252 /nfs/dbraw/zinc/93/52/52/1059935252.db2.gz LDZITSSXPDGGRH-CXUHLZMHSA-N 0 2 531.949 3.067 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1OCC ZINC000409219388 1059934792 /nfs/dbraw/zinc/93/47/92/1059934792.db2.gz PVMRZUYRJYRGGU-MHWRWJLKSA-N 0 2 501.923 3.058 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(N)=O)c(OC)c3)C2=O)cc1OCC ZINC000409219572 1059934567 /nfs/dbraw/zinc/93/45/67/1059934567.db2.gz ODFVAXOGEAUEQV-CXUHLZMHSA-N 0 2 623.400 3.018 40 10 KGCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409219723 1059934860 /nfs/dbraw/zinc/93/48/60/1059934860.db2.gz UFSPBLLTLXSURI-VZUCSPMQSA-N 0 2 513.131 3.286 40 10 KGCBLN NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000409219911 1059934823 /nfs/dbraw/zinc/93/48/23/1059934823.db2.gz RPEXCDAYGAIYEZ-LFYBBSHMSA-N 0 2 513.131 3.286 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(Br)c3)C2=O)cc1C ZINC000409219921 1059934615 /nfs/dbraw/zinc/93/46/15/1059934615.db2.gz WPWSFZUXCFESOX-MKMNVTDBSA-N 0 2 551.191 3.359 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(N)=O ZINC000409221744 1059933977 /nfs/dbraw/zinc/93/39/77/1059933977.db2.gz AQXWGUNDRNGZNZ-HYARGMPZSA-N 0 2 515.522 3.195 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1OCC ZINC000409222080 1059934059 /nfs/dbraw/zinc/93/40/59/1059934059.db2.gz ANTXCPVPLKAMNY-MHWRWJLKSA-N 0 2 546.374 3.167 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(OC)c3)C2=O)cc1OCC ZINC000409222494 1059933366 /nfs/dbraw/zinc/93/33/66/1059933366.db2.gz DGNGPTDGJYXABL-CXUHLZMHSA-N 0 2 576.400 3.176 40 10 KGCBLN NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409222534 1059933209 /nfs/dbraw/zinc/93/32/09/1059933209.db2.gz DWASDUYUSMKAAE-LFYBBSHMSA-N 0 2 557.582 3.396 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409222685 1059933262 /nfs/dbraw/zinc/93/32/62/1059933262.db2.gz DDXGNXYMYVYTJL-MKMNVTDBSA-N 0 2 522.739 3.032 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OC(C)C ZINC000409223283 1059933559 /nfs/dbraw/zinc/93/35/59/1059933559.db2.gz YRXSAGNUIDLNDN-VGOFMYFVSA-N 0 2 507.284 3.148 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409223412 1059933517 /nfs/dbraw/zinc/93/35/17/1059933517.db2.gz HOLIDIMZZISKOE-MKMNVTDBSA-N 0 2 536.766 3.340 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409223483 1059932451 /nfs/dbraw/zinc/93/24/51/1059932451.db2.gz FREPJYNPGASNHN-PXLXIMEGSA-N 0 2 513.506 3.466 40 10 KGCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409223673 1059066146 /nfs/dbraw/zinc/06/61/46/1059066146.db2.gz GWXJMLVUFOPLLN-FYJGNVAPSA-N 0 2 505.914 3.450 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(N)=O ZINC000409223697 1059932622 /nfs/dbraw/zinc/93/26/22/1059932622.db2.gz HCKRQRHVMFFMQC-VGOFMYFVSA-N 0 2 522.739 3.032 40 10 KGCBLN NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409223844 1059932829 /nfs/dbraw/zinc/93/28/29/1059932829.db2.gz IVNAKZRAGOBDAI-UUILKARUSA-N 0 2 557.582 3.396 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OCC(N)=O ZINC000409223957 1059932696 /nfs/dbraw/zinc/93/26/96/1059932696.db2.gz JNNRCUVYTQBHRN-RGVLZGJSSA-N 0 2 627.391 3.409 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)cc1 ZINC000409224699 1059932497 /nfs/dbraw/zinc/93/24/97/1059932497.db2.gz LISSSMGTBCEBJX-HZHRSRAPSA-N 0 2 513.506 3.466 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(N)=O ZINC000409224762 1059932544 /nfs/dbraw/zinc/93/25/44/1059932544.db2.gz MKTRJEGLDYMRSX-MKMNVTDBSA-N 0 2 536.766 3.340 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OC ZINC000409225258 1059932083 /nfs/dbraw/zinc/93/20/83/1059932083.db2.gz NUQIXRYULLWABP-CXUHLZMHSA-N 0 2 576.400 3.176 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(N)=O ZINC000409225338 1059932170 /nfs/dbraw/zinc/93/21/70/1059932170.db2.gz OLOSAATWQXUXJZ-VGOFMYFVSA-N 0 2 567.190 3.141 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1OCC ZINC000409225550 1059932047 /nfs/dbraw/zinc/93/20/47/1059932047.db2.gz PNSAHHOBZFXGBL-GZTJUZNOSA-N 0 2 546.374 3.167 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OC ZINC000409225586 1059932016 /nfs/dbraw/zinc/93/20/16/1059932016.db2.gz PXFSWTFJOMPFOT-CXUHLZMHSA-N 0 2 531.949 3.067 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(N)=O ZINC000409226119 1059932215 /nfs/dbraw/zinc/93/22/15/1059932215.db2.gz OXFWKMIAMHZEAQ-MKMNVTDBSA-N 0 2 583.766 3.182 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OC ZINC000409226451 1059931980 /nfs/dbraw/zinc/93/19/80/1059931980.db2.gz TWFOSOKXEWLNQN-CXUHLZMHSA-N 0 2 623.400 3.018 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409226462 1059932137 /nfs/dbraw/zinc/93/21/37/1059932137.db2.gz TXUKXGDELGSBMR-VGOFMYFVSA-N 0 2 522.739 3.032 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1 ZINC000409226523 1059065657 /nfs/dbraw/zinc/06/56/57/1059065657.db2.gz UDBQRSMWKNXEDH-HAHDFKILSA-N 0 2 513.506 3.466 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1OCC ZINC000409226563 1059065880 /nfs/dbraw/zinc/06/58/80/1059065880.db2.gz UVAPQMCEZRZDDV-GZTJUZNOSA-N 0 2 501.923 3.058 40 10 KGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(N)=O)c(OCC)c3)C2=O)cc1OCC ZINC000409226685 1059931360 /nfs/dbraw/zinc/93/13/60/1059931360.db2.gz RAKBVULUSVMHCF-LICLKQGHSA-N 0 2 637.427 3.408 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409226974 1059931478 /nfs/dbraw/zinc/93/14/78/1059931478.db2.gz WSUGRFVOXAVUDZ-FYJGNVAPSA-N 0 2 501.495 3.393 40 10 KGCBLN NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000409227234 1059931434 /nfs/dbraw/zinc/93/14/34/1059931434.db2.gz YGVURLQLOFNKKJ-UDWIEESQSA-N 0 2 505.914 3.450 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(N)=O ZINC000409227541 1059936447 /nfs/dbraw/zinc/93/64/47/1059936447.db2.gz ZFNMJUSQHJRMNT-NTUHNPAUSA-N 0 2 536.766 3.340 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409227784 1059935873 /nfs/dbraw/zinc/93/58/73/1059935873.db2.gz WTMDSPIKTFFRTF-RGVLZGJSSA-N 0 2 535.940 3.458 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(N)=O ZINC000409227938 1059936035 /nfs/dbraw/zinc/93/60/35/1059936035.db2.gz XSFAYGPCSBUMPZ-NYYWCZLTSA-N 0 2 543.157 3.295 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 ZINC000409227974 1059936126 /nfs/dbraw/zinc/93/61/26/1059936126.db2.gz YKKLKSIZDHLZJZ-HYARGMPZSA-N 0 2 543.532 3.474 40 10 KGCBLN COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O ZINC000409235204 1059937225 /nfs/dbraw/zinc/93/72/25/1059937225.db2.gz ASCWMUYRAQEQJF-LDADJPATSA-N 0 2 500.349 3.269 40 10 KGCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc(I)c1O ZINC000409242484 1059939653 /nfs/dbraw/zinc/93/96/53/1059939653.db2.gz VGPANALEAACYFX-UKTHLTGXSA-N 0 2 522.295 3.461 40 10 KGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(O)c(OC)c2)C1=O ZINC000409242789 1059939615 /nfs/dbraw/zinc/93/96/15/1059939615.db2.gz OZCXKHBDJJCERS-XYOKQWHBSA-N 0 2 508.268 3.071 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OCC ZINC000409243014 1059939572 /nfs/dbraw/zinc/93/95/72/1059939572.db2.gz UITSCINWBKKXRQ-RIYZIHGNSA-N 0 2 507.284 3.150 40 10 KGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OC)c(OC)c2)C1=O ZINC000409247391 1059942098 /nfs/dbraw/zinc/94/20/98/1059942098.db2.gz BXKLMMULMCIJNY-UKTHLTGXSA-N 0 2 522.295 3.374 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)c(Br)c1O ZINC000409252861 1059943487 /nfs/dbraw/zinc/94/34/87/1059943487.db2.gz YAOSJYYKHNZVQE-IZZDOVSWSA-N 0 2 511.126 3.377 40 10 KGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1C ZINC000409253223 1059067212 /nfs/dbraw/zinc/06/72/12/1059067212.db2.gz AXVHRKPWEWOPQA-CHHVJCJISA-N 0 2 551.191 3.359 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1 ZINC000409255625 1059942734 /nfs/dbraw/zinc/94/27/34/1059942734.db2.gz IEXYQXBMJQLVQF-STZFKDTASA-N 0 2 543.532 3.474 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)cc1 ZINC000409256681 1059067171 /nfs/dbraw/zinc/06/71/71/1059067171.db2.gz NBYFEOYRRUJEGS-JCMHNJIXSA-N 0 2 513.506 3.466 40 10 KGCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409263303 1059945361 /nfs/dbraw/zinc/94/53/61/1059945361.db2.gz MAMIXIAFGVQCBL-WLRTZDKTSA-N 0 2 557.582 3.396 40 10 KGCBLN NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409263711 1059944740 /nfs/dbraw/zinc/94/47/40/1059944740.db2.gz BSAPHECLFPITOD-MLPAPPSSSA-N 0 2 557.582 3.396 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000409265093 1059944280 /nfs/dbraw/zinc/94/42/80/1059944280.db2.gz MOZUMJSUKXLESI-QNGOZBTKSA-N 0 2 513.506 3.466 40 10 KGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(Br)c3OCC(N)=O)C2=O)cc1 ZINC000409268869 1059948011 /nfs/dbraw/zinc/94/80/11/1059948011.db2.gz YVAHLZFSVBHHAF-OVCLIPMQSA-N 0 2 567.190 3.141 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1 ZINC000409269597 1059947358 /nfs/dbraw/zinc/94/73/58/1059947358.db2.gz KOEIZPBLWYMAPP-JCMHNJIXSA-N 0 2 513.506 3.466 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4cccc(C)c4)c3)C2=O)cc1 ZINC000409271298 1059946931 /nfs/dbraw/zinc/94/69/31/1059946931.db2.gz UKKWXTZTPXPEPF-HAHDFKILSA-N 0 2 513.506 3.466 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1 ZINC000409361250 1059965577 /nfs/dbraw/zinc/96/55/77/1059965577.db2.gz BSSFLLLCYRTHKU-HMAPJEAMSA-N 0 2 517.469 3.296 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 ZINC000409361997 1059964972 /nfs/dbraw/zinc/96/49/72/1059964972.db2.gz FCRNPUWMITTZBK-STZFKDTASA-N 0 2 517.469 3.296 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409362085 1059965042 /nfs/dbraw/zinc/96/50/42/1059965042.db2.gz FLWUMIBHOLNZAB-NDENLUEZSA-N 0 2 534.456 3.426 40 10 KGCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409363257 1059070072 /nfs/dbraw/zinc/07/00/72/1059070072.db2.gz KXXHWPAVHZPYKV-BKUYFWCQSA-N 0 2 504.430 3.418 40 10 KGCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccc(F)cc1 ZINC000409363646 1059964796 /nfs/dbraw/zinc/96/47/96/1059964796.db2.gz LQVFDTJENIBHIB-MTJSOVHGSA-N 0 2 504.430 3.418 40 10 KGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 ZINC000409363793 1059964177 /nfs/dbraw/zinc/96/41/77/1059964177.db2.gz NRAKDVWOSPFFDE-NDENLUEZSA-N 0 2 504.430 3.418 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000409364484 1059964376 /nfs/dbraw/zinc/96/43/76/1059964376.db2.gz PVMOJIDUYWOWRR-HMAPJEAMSA-N 0 2 517.469 3.296 40 10 KGCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409364621 1059069949 /nfs/dbraw/zinc/06/99/49/1059069949.db2.gz QMCLJKALXBFBOA-BKUYFWCQSA-N 0 2 504.430 3.418 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409365588 1059964431 /nfs/dbraw/zinc/96/44/31/1059964431.db2.gz UIFZUUWAHCSEIS-NDENLUEZSA-N 0 2 505.458 3.224 40 10 KGCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccc(F)cc1 ZINC000409365697 1059070160 /nfs/dbraw/zinc/07/01/60/1059070160.db2.gz VWYSDKZUOFYXFX-MTJSOVHGSA-N 0 2 504.430 3.418 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409366000 1059963626 /nfs/dbraw/zinc/96/36/26/1059963626.db2.gz XGAGQEOKWAWEDI-JAIQZWGSSA-N 0 2 534.456 3.426 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 ZINC000409366150 1059963827 /nfs/dbraw/zinc/96/38/27/1059963827.db2.gz YIAIOPBBRZSCHN-BKUYFWCQSA-N 0 2 547.495 3.305 40 10 KGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 ZINC000409366202 1059070024 /nfs/dbraw/zinc/07/00/24/1059070024.db2.gz YUTBOVWUYDOWPM-MOSHPQCFSA-N 0 2 504.430 3.418 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1 ZINC000409369246 1059970018 /nfs/dbraw/zinc/97/00/18/1059970018.db2.gz AGLULYMBEBEYPH-RCCKNPSSSA-N 0 2 501.495 3.388 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409369342 1059969926 /nfs/dbraw/zinc/96/99/26/1059969926.db2.gz BDHJRDZCNXYPIQ-UYRXBGFRSA-N 0 2 546.492 3.296 40 10 KGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F ZINC000409369697 1059970118 /nfs/dbraw/zinc/97/01/18/1059970118.db2.gz DZACPAVDCXANSG-AQTBWJFISA-N 0 2 504.430 3.418 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409370287 1059969351 /nfs/dbraw/zinc/96/93/51/1059969351.db2.gz OECGPLHEFDINQV-HKWRFOASSA-N 0 2 529.505 3.166 40 10 KGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)N1CCOCC1 ZINC000409370459 1059969411 /nfs/dbraw/zinc/96/94/11/1059969411.db2.gz RFKXPMYIXZEQLI-GZTJUZNOSA-N 0 2 593.228 3.116 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000409370892 1059969584 /nfs/dbraw/zinc/96/95/84/1059969584.db2.gz VGGCUILYZXDSPU-JCMHNJIXSA-N 0 2 529.505 3.166 40 10 KGCBLN COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1 ZINC000409375393 1059968207 /nfs/dbraw/zinc/96/82/07/1059968207.db2.gz KDSIXDVJVQWRBU-HMAPJEAMSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000409375657 1059968165 /nfs/dbraw/zinc/96/81/65/1059968165.db2.gz NPBYHQVGDFICAK-ZHZULCJRSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000409376741 1059967198 /nfs/dbraw/zinc/96/71/98/1059967198.db2.gz AQUGEPDMOXKROR-RCCKNPSSSA-N 0 2 501.495 3.388 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 ZINC000409376864 1059072202 /nfs/dbraw/zinc/07/22/02/1059072202.db2.gz DOKMUZAJKRLABQ-HMMYKYKNSA-N 0 2 501.495 3.388 40 10 KGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC ZINC000409376919 1059966560 /nfs/dbraw/zinc/96/65/60/1059966560.db2.gz BWLNQUAYDTULTK-ZHZULCJRSA-N 0 2 531.521 3.483 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000409377058 1059008809 /nfs/dbraw/zinc/00/88/09/1059008809.db2.gz FUOCEIZDYMDWFA-UYRXBGFRSA-N 0 2 516.466 3.287 40 10 KGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)N1CCOCC1 ZINC000409377134 1059966703 /nfs/dbraw/zinc/96/67/03/1059966703.db2.gz DYXXZSKOXACLER-GZTJUZNOSA-N 0 2 548.777 3.007 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)C2=O)cc1 ZINC000409377395 1059972309 /nfs/dbraw/zinc/97/23/09/1059972309.db2.gz HTWZQWNFQFYUID-HAHDFKILSA-N 0 2 529.505 3.166 40 10 KGCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccccc1F ZINC000409377460 1059072015 /nfs/dbraw/zinc/07/20/15/1059072015.db2.gz IIISLBAWCJTLME-UYRXBGFRSA-N 0 2 504.430 3.418 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1 ZINC000409377488 1059071965 /nfs/dbraw/zinc/07/19/65/1059071965.db2.gz IRWJCCICKJJKOI-QNGOZBTKSA-N 0 2 529.505 3.166 40 10 KGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O ZINC000409377788 1059971234 /nfs/dbraw/zinc/97/12/34/1059971234.db2.gz KUDXCRCSTVNRFT-GZTJUZNOSA-N 0 2 607.255 3.424 40 10 KGCBLN COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409378257 1059970580 /nfs/dbraw/zinc/97/05/80/1059970580.db2.gz OBLGKEVGWZPZGG-STZFKDTASA-N 0 2 516.466 3.287 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1 ZINC000409378271 1059970437 /nfs/dbraw/zinc/97/04/37/1059970437.db2.gz OIMRCWLCPCCTOI-HAHDFKILSA-N 0 2 529.505 3.166 40 10 KGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 ZINC000409378436 1059970820 /nfs/dbraw/zinc/97/08/20/1059970820.db2.gz PCVUDYUQKRODTC-XSFVSMFZSA-N 0 2 531.521 3.396 40 10 KGCBLN COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)c2)cc1 ZINC000409378580 1059970639 /nfs/dbraw/zinc/97/06/39/1059970639.db2.gz QEOXZHPIKGJGAE-XKZIYDEJSA-N 0 2 516.466 3.287 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1 ZINC000409378723 1059970524 /nfs/dbraw/zinc/97/05/24/1059970524.db2.gz QUYYONQNKOMEPF-HMAPJEAMSA-N 0 2 559.531 3.174 40 10 KGCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccccc1F ZINC000409379271 1059970687 /nfs/dbraw/zinc/97/06/87/1059970687.db2.gz WKPIVSBRHLUELV-UYRXBGFRSA-N 0 2 504.430 3.418 40 10 KGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br)N1CCOCC1 ZINC000409379895 1059071888 /nfs/dbraw/zinc/07/18/88/1059071888.db2.gz BCPSPAHELOOKPT-LICLKQGHSA-N 0 2 593.228 3.116 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409380030 1059979730 /nfs/dbraw/zinc/97/97/30/1059979730.db2.gz GDTRHRRKOPWDDC-WQRHYEAKSA-N 0 2 534.456 3.426 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000409380224 1059979768 /nfs/dbraw/zinc/97/97/68/1059979768.db2.gz KWWNURGRBQHWMN-STZFKDTASA-N 0 2 501.495 3.388 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2)cc1 ZINC000409380638 1059979646 /nfs/dbraw/zinc/97/96/46/1059979646.db2.gz OSYDUNKSCXXISP-HZHRSRAPSA-N 0 2 501.495 3.388 40 10 KGCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccccc1F ZINC000409380844 1059979076 /nfs/dbraw/zinc/97/90/76/1059979076.db2.gz PNSWSBIIMRVKRU-UNOMPAQXSA-N 0 2 504.430 3.418 40 10 KGCBLN COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000409380882 1059979316 /nfs/dbraw/zinc/97/93/16/1059979316.db2.gz BNFNWKHPNJWXSO-MOSHPQCFSA-N 0 2 516.466 3.287 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000409381037 1059979119 /nfs/dbraw/zinc/97/91/19/1059979119.db2.gz RCBDKJRIEVTTQK-QNGOZBTKSA-N 0 2 529.505 3.166 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000409381148 1059979191 /nfs/dbraw/zinc/97/91/91/1059979191.db2.gz DDBYSIXAMGTRCR-RGEXLXHISA-N 0 2 516.466 3.287 40 10 KGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)N1CCOCC1 ZINC000409381346 1059979368 /nfs/dbraw/zinc/97/93/68/1059979368.db2.gz FKITYYYWOZKHJS-LICLKQGHSA-N 0 2 548.777 3.007 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409381553 1059979275 /nfs/dbraw/zinc/97/92/75/1059979275.db2.gz GKYUODKEGKHQBI-UNOMPAQXSA-N 0 2 546.492 3.296 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 ZINC000409381783 1059978771 /nfs/dbraw/zinc/97/87/71/1059978771.db2.gz WIIJDRXCZYBVPJ-RGEXLXHISA-N 0 2 517.469 3.296 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2OC)cc1 ZINC000409381968 1059978503 /nfs/dbraw/zinc/97/85/03/1059978503.db2.gz JGLWAWDAQULFNB-HYARGMPZSA-N 0 2 531.521 3.396 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409382203 1059978076 /nfs/dbraw/zinc/97/80/76/1059978076.db2.gz ZANAXPPYHJRENG-HMAPJEAMSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2OC)cc1 ZINC000409382372 1059071402 /nfs/dbraw/zinc/07/14/02/1059071402.db2.gz KUCUOEZBCRXOIT-BKUYFWCQSA-N 0 2 517.494 3.093 40 10 KGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F ZINC000409382472 1059977867 /nfs/dbraw/zinc/97/78/67/1059977867.db2.gz NDRBIEJEWIAPKW-PDGQHHTCSA-N 0 2 504.430 3.418 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1 ZINC000409383047 1059977426 /nfs/dbraw/zinc/97/74/26/1059977426.db2.gz TXXXQCOLTICKQV-ZHZULCJRSA-N 0 2 559.531 3.174 40 10 KGCBLN COc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000409383477 1059976874 /nfs/dbraw/zinc/97/68/74/1059976874.db2.gz VSBULDLHCJUQFU-PXLXIMEGSA-N 0 2 501.495 3.388 40 10 KGCBLN COc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409383612 1059976400 /nfs/dbraw/zinc/97/64/00/1059976400.db2.gz YCTONDNDJDSZIV-BKUYFWCQSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000409383646 1059976493 /nfs/dbraw/zinc/97/64/93/1059976493.db2.gz YYFKJHNMQITEQF-ZHZULCJRSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000409383656 1059071474 /nfs/dbraw/zinc/07/14/74/1059071474.db2.gz ZCVMNIZYCDPGPT-UYRXBGFRSA-N 0 2 517.494 3.093 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409384170 1059972264 /nfs/dbraw/zinc/97/22/64/1059972264.db2.gz BRVISOJRBOKIIE-PDGQHHTCSA-N 0 2 505.458 3.224 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000409384591 1059975688 /nfs/dbraw/zinc/97/56/88/1059975688.db2.gz CXPPRLMAHWAUFN-XKZIYDEJSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2)cc1 ZINC000409384608 1059975744 /nfs/dbraw/zinc/97/57/44/1059975744.db2.gz DIKVIUXYKVDJBS-HZHRSRAPSA-N 0 2 501.495 3.388 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1 ZINC000409385227 1059975219 /nfs/dbraw/zinc/97/52/19/1059975219.db2.gz ICXFWGOAFOEFOJ-UYRXBGFRSA-N 0 2 547.495 3.305 40 10 KGCBLN O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccccc1F ZINC000409385320 1059975132 /nfs/dbraw/zinc/97/51/32/1059975132.db2.gz HNMWYLPZPDQMDK-UNOMPAQXSA-N 0 2 504.430 3.418 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1 ZINC000409386343 1059974524 /nfs/dbraw/zinc/97/45/24/1059974524.db2.gz MROXQSODFOFTJV-ZHZULCJRSA-N 0 2 517.469 3.296 40 10 KGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000409386980 1059972928 /nfs/dbraw/zinc/97/29/28/1059972928.db2.gz PNANPVGPKYKTCM-MOSHPQCFSA-N 0 2 516.466 3.287 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2OC)cc1 ZINC000409388181 1059984743 /nfs/dbraw/zinc/98/47/43/1059984743.db2.gz SNVHAILYCCQPIZ-MTJSOVHGSA-N 0 2 546.492 3.296 40 10 KGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F ZINC000409388306 1059984835 /nfs/dbraw/zinc/98/48/35/1059984835.db2.gz TXYPJOJLTMOBON-PDGQHHTCSA-N 0 2 534.456 3.426 40 10 KGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2OC)cc1 ZINC000409388896 1059983185 /nfs/dbraw/zinc/98/31/85/1059983185.db2.gz XRHORCQBZCWEPP-BKUYFWCQSA-N 0 2 546.492 3.296 40 10 KGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1 ZINC000409388957 1059983082 /nfs/dbraw/zinc/98/30/82/1059983082.db2.gz YLLQFVYPSFVHIO-ZHZULCJRSA-N 0 2 517.469 3.296 40 10 KGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409389067 1059983227 /nfs/dbraw/zinc/98/32/27/1059983227.db2.gz ZCWPVGKYTYTRRP-HMAPJEAMSA-N 0 2 531.521 3.483 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)c(Br)c1O ZINC000409389607 1059982398 /nfs/dbraw/zinc/98/23/98/1059982398.db2.gz CEUZTNMHJGOZPN-YRNVUSSQSA-N 0 2 511.126 3.377 40 10 KGCBLN COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)o1 ZINC000409392495 1059980829 /nfs/dbraw/zinc/98/08/29/1059980829.db2.gz MXMLYGMYKDQTPA-VXLYETTFSA-N 0 2 513.462 3.464 40 10 KGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OCC ZINC000409392765 1059980897 /nfs/dbraw/zinc/98/08/97/1059980897.db2.gz NNHMXWZWNPMRJM-NTEUORMPSA-N 0 2 507.284 3.150 40 10 KGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OC(C)C ZINC000409392833 1059072501 /nfs/dbraw/zinc/07/25/01/1059072501.db2.gz NVKLZBRJPWKIOU-RIYZIHGNSA-N 0 2 507.284 3.148 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1F ZINC000409398791 1059073502 /nfs/dbraw/zinc/07/35/02/1059073502.db2.gz CRJRBLVNVGTUIQ-BOPFTXTBSA-N 0 2 506.446 3.221 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1C ZINC000409399078 1059989959 /nfs/dbraw/zinc/98/99/59/1059989959.db2.gz FSDHYGWZACFMHS-UNOMPAQXSA-N 0 2 502.483 3.391 40 10 KGCBLN CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409399214 1059989565 /nfs/dbraw/zinc/98/95/65/1059989565.db2.gz GPNLIXJPZGCTAC-KPENOIPVSA-N 0 2 504.293 3.149 40 10 KGCBLN CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409399217 1059073951 /nfs/dbraw/zinc/07/39/51/1059073951.db2.gz GPNLIXJPZGCTAC-YUSFRKCESA-N 0 2 504.293 3.149 40 10 KGCBLN COC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409399246 1059989454 /nfs/dbraw/zinc/98/94/54/1059989454.db2.gz GUVCOWTWEQTMCR-QPEQYQDCSA-N 0 2 510.138 3.225 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1cccc(F)c1 ZINC000409399374 1059989084 /nfs/dbraw/zinc/98/90/84/1059989084.db2.gz HMGWKMMAYPSNSK-GRSHGNNSSA-N 0 2 506.446 3.221 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(F)cc1 ZINC000409399461 1059988330 /nfs/dbraw/zinc/98/83/30/1059988330.db2.gz IUBNECPFGXRMSH-ODLFYWEKSA-N 0 2 506.446 3.221 40 10 KGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(C)cc1 ZINC000409399606 1059073849 /nfs/dbraw/zinc/07/38/49/1059073849.db2.gz KMIRDBZYCIACFL-NDENLUEZSA-N 0 2 502.483 3.391 40 10 KGCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)N1CCOCC1 ZINC000409399612 1059987792 /nfs/dbraw/zinc/98/77/92/1059987792.db2.gz KQECVIUFHQJEOB-ATVHPVEESA-N 0 2 609.271 3.309 40 10 KGCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1 ZINC000409399628 1059987881 /nfs/dbraw/zinc/98/78/81/1059987881.db2.gz KWNKZUITYXFFER-ATVHPVEESA-N 0 2 564.820 3.200 40 10 KGCBLN CC(C)OC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409399630 1059988423 /nfs/dbraw/zinc/98/84/23/1059988423.db2.gz KXHHJQGSSRQSAI-SXGWCWSVSA-N 0 2 504.293 3.149 40 10 KGCBLN COC(=O)COc1c(Br)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000409399709 1059987752 /nfs/dbraw/zinc/98/77/52/1059987752.db2.gz MASMGFGCVURGIB-JYRVWZFOSA-N 0 2 540.164 3.233 40 10 KGCBLN CC(C)OC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000409399818 1059987379 /nfs/dbraw/zinc/98/73/79/1059987379.db2.gz NBKMJQSVSBOVNG-NVNXTCNLSA-N 0 2 504.293 3.149 40 10 KGCBLN CCOC(=O)COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409400539 1059986310 /nfs/dbraw/zinc/98/63/10/1059986310.db2.gz SWAIFFDNCKNWTJ-ZSOIEALJSA-N 0 2 618.165 3.299 40 10 KGCBLN COC(=O)[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409400950 1059997188 /nfs/dbraw/zinc/99/71/88/1059997188.db2.gz WIDVWBNVEHHCHW-KSSSLANASA-N 0 2 618.165 3.298 40 10 KGCBLN COC(=O)[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409400951 1059997063 /nfs/dbraw/zinc/99/70/63/1059997063.db2.gz WIDVWBNVEHHCHW-ZEVOCZHWSA-N 0 2 618.165 3.298 40 10 KGCBLN COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409400965 1059997250 /nfs/dbraw/zinc/99/72/50/1059997250.db2.gz WONZQJZUMJRLGS-GHXNOFRVSA-N 0 2 546.102 3.366 40 10 KGCBLN CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000409401485 1059996508 /nfs/dbraw/zinc/99/65/08/1059996508.db2.gz YREVFSCMSHQDMA-CDCQXCROSA-N 0 2 504.293 3.149 40 10 KGCBLN CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000409401488 1059996541 /nfs/dbraw/zinc/99/65/41/1059996541.db2.gz YREVFSCMSHQDMA-ZENNRRHLSA-N 0 2 504.293 3.149 40 10 KGCBLN CC(=O)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I ZINC000409401493 1059996580 /nfs/dbraw/zinc/99/65/80/1059996580.db2.gz YROUFOPQSANWTE-QPEQYQDCSA-N 0 2 574.112 3.283 40 10 KGCBLN COc1cc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])ccc1OC(C)=O ZINC000409407685 1060000568 /nfs/dbraw/zinc/00/05/68/1060000568.db2.gz GSALTICZDNCHJG-UYRXBGFRSA-N 0 2 517.450 3.209 40 10 KGCBLN COc1cc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc(OC)c1OC ZINC000409409377 1059075485 /nfs/dbraw/zinc/07/54/85/1059075485.db2.gz OLNYZGYXDGFZES-PDGQHHTCSA-N 0 2 519.466 3.301 40 10 KGCBLN