smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C(O)(c2cccs2)c2ccc(N(C)C)cc2)cc1 ZINC000005328549 204202815 /nfs/dbraw/zinc/20/28/15/204202815.db2.gz SBXPAMZBUKEJEX-UHFFFAOYSA-N 0 0 352.503 4.164 10 10 FICERN COc1ccc([C@H](C)Nc2ccccc2I)c(O)c1 ZINC000020479629 206334592 /nfs/dbraw/zinc/33/45/92/206334592.db2.gz DSKAVLBSQNVOOY-JTQLQIEISA-N 0 0 369.202 4.179 10 10 FICERN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1 ZINC000005583217 204217604 /nfs/dbraw/zinc/21/76/04/204217604.db2.gz CHQFGBNWZBKQEI-RIYZIHGNSA-N 0 0 360.391 4.140 10 10 FICERN CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000005710547 204222368 /nfs/dbraw/zinc/22/23/68/204222368.db2.gz GXJMJOLVEBJMFP-LFIBNONCSA-N 0 0 369.467 4.269 10 10 FICERN CC[C@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000106011896 206011817 /nfs/dbraw/zinc/01/18/17/206011817.db2.gz GNHKYQRXWHRBSU-KRWDZBQOSA-N 0 0 368.477 4.270 10 10 FICERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000182830220 1101613113 /nfs/dbraw/zinc/61/31/13/1101613113.db2.gz SSHQEURFBNILPH-INIZCTEOSA-N 0 0 363.461 4.476 10 10 FICERN COC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 ZINC000040867658 205082622 /nfs/dbraw/zinc/08/26/22/205082622.db2.gz CQTAZNOPSVSIBR-DHDCSXOGSA-N 0 0 373.430 4.018 10 10 FICERN CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000100151346 205940359 /nfs/dbraw/zinc/94/03/59/205940359.db2.gz BLBDYIMGUJUZCA-WOJGMQOQSA-N 0 0 362.820 4.082 10 10 FICERN CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2CC)SC1=S ZINC000012950489 570768312 /nfs/dbraw/zinc/76/83/12/570768312.db2.gz XVXGQUBALDLGPP-ACCUITESSA-N 0 0 356.925 4.321 10 10 FICERN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccco2)cc1OC ZINC000035678508 204996442 /nfs/dbraw/zinc/99/64/42/204996442.db2.gz ARUUCPGUXAAQOC-LGMDPLHJSA-N 0 0 374.396 4.131 10 10 FICERN COc1ccc([C@@H](C)Nc2cccc(I)c2)c(O)c1 ZINC000020478232 206333973 /nfs/dbraw/zinc/33/39/73/206333973.db2.gz ITFOUHSNEKIXRP-SNVBAGLBSA-N 0 0 369.202 4.179 10 10 FICERN Cc1nnc([C@H](N[C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324516 1101700373 /nfs/dbraw/zinc/70/03/73/1101700373.db2.gz ADICLLDKOOMVET-VBKZILBWSA-N 0 0 358.445 4.412 10 10 FICERN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000005544131 204214866 /nfs/dbraw/zinc/21/48/66/204214866.db2.gz SXRUCYOECKCZGR-SXGWCWSVSA-N 0 0 357.456 4.115 10 10 FICERN Cc1cc(Cl)cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1O ZINC000182674291 1101616220 /nfs/dbraw/zinc/61/62/20/1101616220.db2.gz SIDATDJPWZLCAO-HNNXBMFYSA-N 0 0 364.232 4.270 10 10 FICERN CN(C)C(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004117265 204121452 /nfs/dbraw/zinc/12/14/52/204121452.db2.gz LOHBBPBNYCISPQ-BXWFABGCSA-N 0 0 363.417 4.123 10 10 FICERN CCN1C(=O)/C(=C/C=C2\Sc3ccc(Cl)cc3N2C)SC1=S ZINC000033296147 204964154 /nfs/dbraw/zinc/96/41/54/204964154.db2.gz VPGVYDJWELGNKC-QXFGSWAMSA-N 0 0 368.936 4.487 10 10 FICERN Nc1ccc(OCc2nc3ccccc3n2Cc2nc3ccccc3[nH]2)cc1 ZINC000073636149 205032279 /nfs/dbraw/zinc/03/22/79/205032279.db2.gz REROSCWALIDSQE-UHFFFAOYSA-N 0 0 369.428 4.122 10 10 FICERN Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)n1-c1ccccc1 ZINC000105584153 206008732 /nfs/dbraw/zinc/00/87/32/206008732.db2.gz FQOXMMYCKHNTAG-UHFFFAOYSA-N 0 0 373.456 4.239 10 10 FICERN Nc1c(/N=N\c2ccc(Cl)cc2)ccc2c1cccc2S(N)(=O)=O ZINC000100357515 570818392 /nfs/dbraw/zinc/81/83/92/570818392.db2.gz MGWXSLOJBBUNAQ-MRCUWXFGSA-N 0 0 360.826 4.138 10 10 in-vitro FICERN CCCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S ZINC000002923928 204068415 /nfs/dbraw/zinc/06/84/15/204068415.db2.gz BWLIQKXGEJKGFK-PTNGSMBKSA-N 0 0 351.493 4.095 10 10 FICERN O=C([O-])[C@@H]1CCC[N@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000003964201 204116452 /nfs/dbraw/zinc/11/64/52/204116452.db2.gz RXWDEUWOJGGNHU-HXUWFJFHSA-N 0 0 361.485 4.404 10 10 FICERN COC(=O)c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004151352 204124351 /nfs/dbraw/zinc/12/43/51/204124351.db2.gz JTXDIDQZNSBYDR-FRQCXROJSA-N 0 0 350.374 4.208 10 10 FICERN CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 ZINC000027231348 204859203 /nfs/dbraw/zinc/85/92/03/204859203.db2.gz UIYMDSIDJSMBNU-FOWTUZBSSA-N 0 0 357.504 4.267 10 10 FICERN COC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000040867655 205082953 /nfs/dbraw/zinc/08/29/53/205082953.db2.gz OSRDZFGSNVGXAN-GDNBJRDFSA-N 0 0 373.430 4.018 10 10 FICERN COc1ccc([C@H](C)Nc2ccc(I)cc2)c(O)c1 ZINC000020477059 206331678 /nfs/dbraw/zinc/33/16/78/206331678.db2.gz LBTQNMZSAZYZEY-JTQLQIEISA-N 0 0 369.202 4.179 10 10 FICERN Cc1n[nH]c(C)c1/N=N/c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000216024035 206353518 /nfs/dbraw/zinc/35/35/18/206353518.db2.gz PDWYZUPCANYKCV-QZQOTICOSA-N 0 0 355.423 4.243 10 10 FICERN CC(C)c1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 ZINC000103301560 209252490 /nfs/dbraw/zinc/25/24/90/209252490.db2.gz BSYFJKQUWXSFDJ-ATVHPVEESA-N 0 0 360.548 4.455 10 10 FICERN CC1(C)OC(=O)C(C=Nc2ccc(N=Nc3ccccc3)cc2)C(=O)O1 ZINC000010121534 207295417 /nfs/dbraw/zinc/29/54/17/207295417.db2.gz HGEGSWZIZWNWOD-QURGRASLSA-N 0 0 351.362 4.234 10 10 FICERN Cc1ccc(O)c([C@H](C)Nc2ccccc2I)c1 ZINC000035628996 208132526 /nfs/dbraw/zinc/13/25/26/208132526.db2.gz VOFUXWKHKINOER-NSHDSACASA-N 0 0 353.203 4.478 10 10 FICERN Cc1nnc([C@@H](N[C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324532 1101700103 /nfs/dbraw/zinc/70/01/03/1101700103.db2.gz ADICLLDKOOMVET-XOBRGWDASA-N 0 0 358.445 4.412 10 10 FICERN Nc1ccc(CCOc2c(Br)cccc2Br)cc1 ZINC000035677369 208135334 /nfs/dbraw/zinc/13/53/34/208135334.db2.gz QRIZEANHOVDPOW-UHFFFAOYSA-N 0 0 371.072 4.415 10 10 FICERN COc1ccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000005738799 207114406 /nfs/dbraw/zinc/11/44/06/207114406.db2.gz SZURQQHOKCNGFF-FHSNZYRGSA-N 0 0 367.361 4.338 10 10 FICERN O=C([O-])[C@H]1CCC[N@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000013863078 571323316 /nfs/dbraw/zinc/32/33/16/571323316.db2.gz RXWDEUWOJGGNHU-FQEVSTJZSA-N 0 0 361.485 4.404 10 10 FICERN COc1ccc([C@H](N[C@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1 ZINC000184960655 1101683905 /nfs/dbraw/zinc/68/39/05/1101683905.db2.gz RGPONRWVCQIDLY-YJYMSZOUSA-N 0 0 371.868 4.228 10 10 FICERN CCCCN(CC)C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000105844328 209269014 /nfs/dbraw/zinc/26/90/14/209269014.db2.gz YASYPUMFQTUGEW-UHFFFAOYSA-N 0 0 356.466 4.128 10 10 FICERN CN(C)c1ccc(C(c2ccc(N(C)C)cc2)n2nc3ccccc3n2)cc1 ZINC000005328552 207094805 /nfs/dbraw/zinc/09/48/05/207094805.db2.gz NONXNPVAHZETGH-UHFFFAOYSA-N 0 0 371.488 4.201 10 10 FICERN Cc1cc(I)ccc1N[C@H](C)c1cc(O)ccc1O ZINC000037057310 207425979 /nfs/dbraw/zinc/42/59/79/207425979.db2.gz WSSPWYTXEVMULT-SNVBAGLBSA-N 0 0 369.202 4.184 10 10 FICERN Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(Cc2ccco2)C1=O ZINC000040570625 208257101 /nfs/dbraw/zinc/25/71/01/208257101.db2.gz UQXWAGNTBJBCRM-SXGWCWSVSA-N 0 0 354.456 4.471 10 10 FICERN O=C(c1ccccc1Br)C(F)(F)Sc1nccs1 ZINC000057354384 263412622 /nfs/dbraw/zinc/41/26/22/263412622.db2.gz FGLVGACIOARQBB-UHFFFAOYSA-N 0 0 350.209 4.473 10 10 FICERN COc1ccc(OC)c(C2=C/C(=C\c3ccc(C)c(OC)c3)C(=O)O2)c1 ZINC000000843810 570459867 /nfs/dbraw/zinc/45/98/67/570459867.db2.gz XRFAXYWWNMXRBN-OQLLNIDSSA-N 0 0 352.386 4.002 10 10 FICERN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1F ZINC000027533840 571312960 /nfs/dbraw/zinc/31/29/60/571312960.db2.gz WGBHIQQEGVWTPO-NTEUORMPSA-N 0 0 355.419 4.108 10 10 FICERN O=[N+]([O-])c1ccc(/N=N\c2cc3c(c4cccc(O)c24)NC[C@H](O)C3)cc1 ZINC000100354471 209213376 /nfs/dbraw/zinc/21/33/76/209213376.db2.gz WVJOJDCLAFKLPC-NAJQJYEQSA-N 0 0 364.361 4.198 10 10 FICERN CCCCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000096507838 209154971 /nfs/dbraw/zinc/15/49/71/209154971.db2.gz XOJMMGIGPLYNNG-VBKFSLOCSA-N 0 0 365.520 4.485 10 10 FICERN O=C1/C(=C/N2CCCC2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000006241150 207135250 /nfs/dbraw/zinc/13/52/50/207135250.db2.gz KCTUJCQIKZMZET-XFXZXTDPSA-N 0 0 358.410 4.007 10 10 FICERN Cc1cc(C(=O)C(=O)Nc2nccs2)c(C)n1-c1cccc(Cl)c1 ZINC000006780912 207164366 /nfs/dbraw/zinc/16/43/66/207164366.db2.gz GLAMHJDQURFXLE-UHFFFAOYSA-N 0 0 359.838 4.025 10 10 FICERN Cc1ccc(O)c(CNc2ccc(I)cc2C)c1 ZINC000071407626 208765171 /nfs/dbraw/zinc/76/51/71/208765171.db2.gz MASIJICPEUNZBB-UHFFFAOYSA-N 0 0 353.203 4.226 10 10 FICERN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000248990218 1099413442 /nfs/dbraw/zinc/41/34/42/1099413442.db2.gz NFHFLFBYLWJIPD-MMPTUQATSA-N 0 0 362.322 4.404 10 10 FICERN COc1ccc([C@@H](N[C@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1 ZINC000184960690 1101683829 /nfs/dbraw/zinc/68/38/29/1101683829.db2.gz RGPONRWVCQIDLY-BFUOFWGJSA-N 0 0 371.868 4.228 10 10 FICERN O=[N+]([O-])c1ccc(/N=N\c2cc3c(c4cccc(O)c24)NC[C@@H](O)C3)cc1 ZINC000100354464 209214031 /nfs/dbraw/zinc/21/40/31/209214031.db2.gz WVJOJDCLAFKLPC-MOHKDSSBSA-N 0 0 364.361 4.198 10 10 FICERN Cc1ccccc1N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000004469995 207021170 /nfs/dbraw/zinc/02/11/70/207021170.db2.gz MWTMTXCSFHQDEH-XNTDXEJSSA-N 0 0 351.456 4.277 10 10 FICERN Cc1ccc([C@H](O)[C@@H](c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1 ZINC000005330850 207093994 /nfs/dbraw/zinc/09/39/94/207093994.db2.gz QYCNMDRXNGPOMZ-PKTZIBPZSA-N 0 0 372.472 4.129 10 10 FICERN CCCCN1c2ccccc2/C(=C2\SC(=S)N(CC(C)C)C2=O)C1=O ZINC000033674051 208097259 /nfs/dbraw/zinc/09/72/59/208097259.db2.gz ZRRMHGYBDYODNQ-FOCLMDBBSA-N 0 0 374.531 4.061 10 10 FICERN COC(=O)c1ccccc1NC1=NC(=O)C(=Cc2ccc(Cl)cc2)S1 ZINC000039870176 208213537 /nfs/dbraw/zinc/21/35/37/208213537.db2.gz UNSBMSGFSPMFTQ-GDNBJRDFSA-N 0 0 372.833 4.209 10 10 FICERN CCOc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1O ZINC000033337755 208086828 /nfs/dbraw/zinc/08/68/28/208086828.db2.gz CRQLHPIGXNNYPQ-RVDMUPIBSA-N 0 0 363.504 4.325 10 10 FICERN Cc1ccc(O)c([C@@H](C)Nc2cccc(I)c2)c1 ZINC000035628993 208134026 /nfs/dbraw/zinc/13/40/26/208134026.db2.gz ZGBYDXJNGFMNIN-LLVKDONJSA-N 0 0 353.203 4.478 10 10 FICERN CCCS(=O)(=O)Nc1cc(-c2c(O)ccc3ccccc32)c(O)cc1C ZINC000085344886 208410542 /nfs/dbraw/zinc/41/05/42/208410542.db2.gz RJVLNQJQJFXGCG-UHFFFAOYSA-N 0 0 371.458 4.378 10 10 FICERN Cc1ccc([C@@H](O)[C@H](c2ccc(N(C)C)cc2)n2nnc3ccccc32)cc1 ZINC000005330893 207094935 /nfs/dbraw/zinc/09/49/35/207094935.db2.gz QYCNMDRXNGPOMZ-XZOQPEGZSA-N 0 0 372.472 4.129 10 10 FICERN COc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)ccc1O ZINC000059398949 208591013 /nfs/dbraw/zinc/59/10/13/208591013.db2.gz CDDBKOOUUXLMIE-OVCLIPMQSA-N 0 0 356.809 4.169 10 10 FICERN Cc1cc(Cl)cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1O ZINC000182674313 1101617683 /nfs/dbraw/zinc/61/76/83/1101617683.db2.gz SIDATDJPWZLCAO-OAHLLOKOSA-N 0 0 364.232 4.270 10 10 FICERN COc1ccc([C@H](N[C@@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1 ZINC000184960637 1101683156 /nfs/dbraw/zinc/68/31/56/1101683156.db2.gz RGPONRWVCQIDLY-DJJJIMSYSA-N 0 0 371.868 4.228 10 10 FICERN Cc1ccc([C@H](C)Nc2ccc(I)cc2)c(O)c1 ZINC000020477132 211281411 /nfs/dbraw/zinc/28/14/11/211281411.db2.gz PPJJXLNJUKKXDT-NSHDSACASA-N 0 0 353.203 4.478 10 10 FICERN COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 ZINC000005750661 210639896 /nfs/dbraw/zinc/63/98/96/210639896.db2.gz HXVIVPQEZQKAIA-LFIBNONCSA-N 0 0 369.467 4.187 10 10 FICERN COc1ccc([C@@H](N[C@@H](C)c2cc(Cl)ccc2O)c2nccn2C)cc1 ZINC000184960673 1101684264 /nfs/dbraw/zinc/68/42/64/1101684264.db2.gz RGPONRWVCQIDLY-ORAYPTAESA-N 0 0 371.868 4.228 10 10 FICERN Cc1nnc([C@H](N[C@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324549 1101700795 /nfs/dbraw/zinc/70/07/95/1101700795.db2.gz ADICLLDKOOMVET-JLTOFOAXSA-N 0 0 358.445 4.412 10 10 FICERN COC(=O)c1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151354 570579005 /nfs/dbraw/zinc/57/90/05/570579005.db2.gz JTXDIDQZNSBYDR-TXPKVOOTSA-N 0 0 350.374 4.208 10 10 FICERN Cc1ccc([C@@H](C)Nc2cccc(I)c2)c(O)c1 ZINC000020478282 211281613 /nfs/dbraw/zinc/28/16/13/211281613.db2.gz NBKXHSCIZNIOLC-LLVKDONJSA-N 0 0 353.203 4.478 10 10 FICERN O=C(c1ccc(Br)cc1)C(F)(F)Sc1nccs1 ZINC000057354385 263412777 /nfs/dbraw/zinc/41/27/77/263412777.db2.gz ZESQAXVYMLGOKE-UHFFFAOYSA-N 0 0 350.209 4.473 10 10 FICERN O=C(CCc1cccc2[nH]ccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000075509197 136150498 /nfs/dbraw/zinc/15/04/98/136150498.db2.gz ZYARXRYADFNTNY-UHFFFAOYSA-N 0 0 361.489 4.407 10 10 FICERN COc1ccc(Cl)cc1C(=O)C(=O)c1cccc(Br)c1 ZINC000263618322 1094278133 /nfs/dbraw/zinc/27/81/33/1094278133.db2.gz SIWKKXZCUFTELS-UHFFFAOYSA-N 0 0 353.599 4.177 10 10 FICERN CN(C)c1ccc(/C=C2\SC(=N)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015053393 211114454 /nfs/dbraw/zinc/11/44/54/211114454.db2.gz NVAYKSGWUKCYJJ-NVTBELRMSA-N 0 0 357.866 4.462 10 10 FICERN Cn1cccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000027229447 571280781 /nfs/dbraw/zinc/28/07/81/571280781.db2.gz PISVXIXXQSIIQZ-MDWZMJQESA-N 0 0 352.843 4.223 10 10 FICERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000182830239 1101613299 /nfs/dbraw/zinc/61/32/99/1101613299.db2.gz SSHQEURFBNILPH-MRXNPFEDSA-N 0 0 363.461 4.476 10 10 FICERN O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21)c1cccnc1 ZINC000003070883 210080135 /nfs/dbraw/zinc/08/01/35/210080135.db2.gz XTCYQMRBXGOWRR-QFIPXVFZSA-N 0 0 354.409 4.460 10 10 FICERN O=C(C(=O)c1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 ZINC000020457549 211280861 /nfs/dbraw/zinc/28/08/61/211280861.db2.gz ITFVUFLMNQTDQP-UHFFFAOYSA-N 0 0 350.320 4.261 10 10 FICERN CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000015011610 211113208 /nfs/dbraw/zinc/11/32/08/211113208.db2.gz UDJRGKOXBHGRQI-MHWRWJLKSA-N 0 0 358.463 4.298 10 10 FICERN CCOc1cccc(CNc2ccc(I)cc2)c1O ZINC000020477699 220327891 /nfs/dbraw/zinc/32/78/91/220327891.db2.gz OKZYFKBJXXUNEX-UHFFFAOYSA-N 0 0 369.202 4.008 10 10 FICERN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(OC)cc1 ZINC000100249962 222239744 /nfs/dbraw/zinc/23/97/44/222239744.db2.gz SCGZSLGZFVHTGL-SFQUDFHCSA-N 0 0 371.824 4.041 10 10 FICERN CCOC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C)cc1 ZINC000100249928 222239181 /nfs/dbraw/zinc/23/91/81/222239181.db2.gz QUACCUWFQRXKTB-SFQUDFHCSA-N 0 0 355.825 4.341 10 10 FICERN COc1cccc(O)c1CN(Cc1ccncc1)Cc1ccc(F)cc1 ZINC000055073881 571116159 /nfs/dbraw/zinc/11/61/59/571116159.db2.gz DWSASOMTFXEFFF-UHFFFAOYSA-N 0 0 352.409 4.137 10 10 FICERN CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155850560 1086593698 /nfs/dbraw/zinc/59/36/98/1086593698.db2.gz DLDCHKJNXHFLIL-UHFFFAOYSA-N 0 0 373.522 4.044 10 10 FICERN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000248530123 1099398877 /nfs/dbraw/zinc/39/88/77/1099398877.db2.gz XFRAXHUEKRWCLJ-MMPTUQATSA-N 0 0 362.322 4.404 10 10 FICERN C[C@H](Nc1cccc(I)c1)c1ccc(F)cc1O ZINC000062745526 221140450 /nfs/dbraw/zinc/14/04/50/221140450.db2.gz NCSJRBCJKOPJDV-VIFPVBQESA-N 0 0 357.166 4.309 10 10 FICERN COc1ccc(N2CCCN(C(=O)Nc3ccsc3Cl)CC2)cc1 ZINC000189374444 1101871642 /nfs/dbraw/zinc/87/16/42/1101871642.db2.gz MGPLBJICUYOHTC-UHFFFAOYSA-N 0 0 365.886 4.154 10 10 FICERN Cc1cc(I)ccc1N[C@@H](C)c1cc(O)ccc1O ZINC000037057309 220833326 /nfs/dbraw/zinc/83/33/26/220833326.db2.gz WSSPWYTXEVMULT-JTQLQIEISA-N 0 0 369.202 4.184 10 10 FICERN Cc1cc(C(=O)N(C)C2CCCCC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000106017417 222381027 /nfs/dbraw/zinc/38/10/27/222381027.db2.gz GDXFOJJRGSAZCL-UHFFFAOYSA-N 0 0 368.477 4.270 10 10 FICERN COc1cccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000005738866 570634850 /nfs/dbraw/zinc/63/48/50/570634850.db2.gz PFUYSABXOOQSBD-JTDSTZFVSA-N 0 0 352.390 4.439 10 10 FICERN COc1ccc([C@H](C)Nc2cccc(I)c2)c(O)c1 ZINC000020478233 220328410 /nfs/dbraw/zinc/32/84/10/220328410.db2.gz ITFOUHSNEKIXRP-JTQLQIEISA-N 0 0 369.202 4.179 10 10 FICERN CCN1C(=O)/C(=C\c2ccc(COc3ccccc3C)o2)SC1=S ZINC000096438159 222119556 /nfs/dbraw/zinc/11/95/56/222119556.db2.gz CEUPAUPEFQKXOA-MHWRWJLKSA-N 0 0 359.472 4.388 10 10 FICERN O=C1C(=CNc2cccc(C(F)(F)F)c2)C=NN1c1cccc(Cl)n1 ZINC000100408037 222243487 /nfs/dbraw/zinc/24/34/87/222243487.db2.gz QYLKJUWLDZNZML-CSKARUKUSA-N 0 0 366.730 4.082 10 10 FICERN COc1ccc(Br)cc1/C=C1/C=C(c2ccccc2)OC1=O ZINC000005720634 570633757 /nfs/dbraw/zinc/63/37/57/570633757.db2.gz YGRUXXJICLIQKD-ZROIWOOFSA-N 0 0 357.203 4.439 10 10 FICERN Cc1nc([C@@H](NCc2cc(Cl)cc(C)c2O)c2ccccc2F)no1 ZINC000182247042 1101609105 /nfs/dbraw/zinc/60/91/05/1101609105.db2.gz UVJOSTUDHDPDDS-INIZCTEOSA-N 0 0 361.804 4.064 10 10 FICERN CC[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000106011894 222380306 /nfs/dbraw/zinc/38/03/06/222380306.db2.gz GNHKYQRXWHRBSU-QGZVFWFLSA-N 0 0 368.477 4.270 10 10 FICERN COC(=O)c1ccc([C@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1 ZINC000005738255 570634583 /nfs/dbraw/zinc/63/45/83/570634583.db2.gz BPFVOBJEVYUKKP-RVKKMQEKSA-N 0 0 350.374 4.208 10 10 FICERN Cc1nnc([C@@H](N[C@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324566 1101700252 /nfs/dbraw/zinc/70/02/52/1101700252.db2.gz ADICLLDKOOMVET-VLIAUNLRSA-N 0 0 358.445 4.412 10 10 FICERN Cc1ccc([C@@H](C)Nc2ccc(I)cc2)c(O)c1 ZINC000020477130 220328240 /nfs/dbraw/zinc/32/82/40/220328240.db2.gz PPJJXLNJUKKXDT-LLVKDONJSA-N 0 0 353.203 4.478 10 10 FICERN CCOCCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc32)SC1=S ZINC000040570672 220910644 /nfs/dbraw/zinc/91/06/44/220910644.db2.gz LMJJQHPFSZAXNM-LFIBNONCSA-N 0 0 360.504 4.104 10 10 FICERN CCCS(=O)(=O)Nc1ccc(O)c(-c2c(O)ccc3ccccc32)c1 ZINC000085344885 520540607 /nfs/dbraw/zinc/54/06/07/520540607.db2.gz JQVJTVYSWMSWPK-UHFFFAOYSA-N 0 0 357.431 4.070 10 10 FICERN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000248530124 1099398937 /nfs/dbraw/zinc/39/89/37/1099398937.db2.gz XFRAXHUEKRWCLJ-USBNGQNGSA-N 0 0 362.322 4.404 10 10 FICERN Cc1nc([C@H](NCc2cc(Cl)cc(C)c2O)c2ccccc2F)no1 ZINC000182247063 1101609262 /nfs/dbraw/zinc/60/92/62/1101609262.db2.gz UVJOSTUDHDPDDS-MRXNPFEDSA-N 0 0 361.804 4.064 10 10 FICERN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000248990222 1099413646 /nfs/dbraw/zinc/41/36/46/1099413646.db2.gz NFHFLFBYLWJIPD-USBNGQNGSA-N 0 0 362.322 4.404 10 10 FICERN Nc1c(N=Nc2ccc(Cl)cc2)ccc2c1cccc2S(N)(=O)=O ZINC000306146682 223114424 /nfs/dbraw/zinc/11/44/24/223114424.db2.gz MGWXSLOJBBUNAQ-UHFFFAOYSA-N 0 0 360.826 4.138 10 10 FICERN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\NC(=O)Nc1cccc(C)c1C ZINC000013633595 220080742 /nfs/dbraw/zinc/08/07/42/220080742.db2.gz TYANBRFPRCMKBW-PDGQHHTCSA-N 0 0 362.433 4.040 10 10 FICERN CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 ZINC000105637265 222372375 /nfs/dbraw/zinc/37/23/75/222372375.db2.gz PPCXHCQEYIHFKD-UHFFFAOYSA-N 0 0 365.408 4.444 10 10 FICERN CN(C)C(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004117268 570576797 /nfs/dbraw/zinc/57/67/97/570576797.db2.gz LOHBBPBNYCISPQ-FCEWJHQRSA-N 0 0 363.417 4.123 10 10 FICERN CCOc1ccc(C2=C/C(=C\c3ccc(Br)o3)C(=O)O2)cc1 ZINC000006508131 570648361 /nfs/dbraw/zinc/64/83/61/570648361.db2.gz YNKFTVMJAYRMDP-FMIVXFBMSA-N 0 0 361.191 4.422 10 10 FICERN COc1ccc([C@@H](C)Nc2ccccc2I)c(O)c1 ZINC000020479628 220328210 /nfs/dbraw/zinc/32/82/10/220328210.db2.gz DSKAVLBSQNVOOY-SNVBAGLBSA-N 0 0 369.202 4.179 10 10 FICERN COc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1Br ZINC000059426028 221126935 /nfs/dbraw/zinc/12/69/35/221126935.db2.gz QXCJPCPSAPRJHR-ZROIWOOFSA-N 0 0 357.203 4.439 10 10 FICERN C[C@@H](Nc1cccc(I)c1)c1ccc(F)cc1O ZINC000062745527 221140647 /nfs/dbraw/zinc/14/06/47/221140647.db2.gz NCSJRBCJKOPJDV-SECBINFHSA-N 0 0 357.166 4.309 10 10 FICERN