smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O ZINC000002830563 845008237 /nfs/dbraw/zinc/00/82/37/845008237.db2.gz USWNLAVTSKNYBL-LDADJPATSA-N -1 0 420.852 4.164 50 10 HICARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c3c(cccc31)CC2 ZINC000004471022 845058404 /nfs/dbraw/zinc/05/84/04/845058404.db2.gz AAFZZNKNWZDMEB-ATVHPVEESA-N -1 0 418.905 4.423 50 10 HICARM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S ZINC000000658325 132230149 /nfs/dbraw/zinc/23/01/49/132230149.db2.gz FNRCSSQSANSDET-SFQUDFHCSA-N -1 0 406.438 4.225 50 10 HICARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000001013584 132235028 /nfs/dbraw/zinc/23/50/28/132235028.db2.gz NOBALLHARBCBCB-GHRIWEEISA-N -1 0 420.465 4.209 50 10 HICARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1ccccc1F ZINC000002222839 132249757 /nfs/dbraw/zinc/24/97/57/132249757.db2.gz CHZOHIRDUPNPMW-LDADJPATSA-N -1 0 407.376 4.321 50 10 HICARM CC(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000004599949 132280122 /nfs/dbraw/zinc/28/01/22/132280122.db2.gz DEDOHWINHQJMJV-BOPFTXTBSA-N -1 0 413.271 4.239 50 10 HICARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(F)cc1 ZINC000004738979 132286390 /nfs/dbraw/zinc/28/63/90/132286390.db2.gz JIJUXJMTEZVDEU-RIYZIHGNSA-N -1 0 405.248 4.260 50 10 HICARM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccccc2)C1=O ZINC000004748929 132287261 /nfs/dbraw/zinc/28/72/61/132287261.db2.gz HCSDLBHPHFUWQJ-GHRIWEEISA-N -1 0 405.841 4.106 50 10 HICARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000032109846 527080627 /nfs/dbraw/zinc/08/06/27/527080627.db2.gz XLBSZQQMCNTBMW-WQLSENKSSA-N -1 0 412.070 4.217 50 10 HICARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000001125571 535963782 /nfs/dbraw/zinc/96/37/82/535963782.db2.gz YIBAEHKHSMKOCQ-UKTHLTGXSA-N -1 0 422.337 4.263 50 10 HICARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000000657214 537042160 /nfs/dbraw/zinc/04/21/60/537042160.db2.gz OOTBKODRYZDGRO-LDADJPATSA-N -1 0 422.893 4.333 50 10 HICARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(-c3cccs3)nn2C2=NCCN21 ZINC000001048827 557158196 /nfs/dbraw/zinc/15/81/96/557158196.db2.gz VLDUZAGOIFYBEX-MRXNPFEDSA-N -1 0 406.298 4.268 50 10 HICARM CCc1sc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nc1-c1ccccc1 ZINC000001135072 557200887 /nfs/dbraw/zinc/20/08/87/557200887.db2.gz IBUKSKNTQZURAG-UHFFFAOYSA-N -1 0 401.513 4.132 50 10 HICARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001238452 557250793 /nfs/dbraw/zinc/25/07/93/557250793.db2.gz XWTADLXBXWDXLX-CXUHLZMHSA-N -1 0 419.911 4.205 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004628781 557574205 /nfs/dbraw/zinc/57/42/05/557574205.db2.gz INVWZBUELNTXFW-GFOFROLCSA-N -1 0 417.527 4.045 50 10 HICARM COc1cc(N2N=C(C)C(=CNc3ccc(Cl)c(C(=O)[O-])c3)C2=O)ccc1Cl ZINC000008437837 557789131 /nfs/dbraw/zinc/78/91/31/557789131.db2.gz SPXASWSOAZABCG-ZROIWOOFSA-N -1 0 420.252 4.419 50 10 HICARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013513210 558536146 /nfs/dbraw/zinc/53/61/46/558536146.db2.gz TVIHFZXELRNEBT-MOSHPQCFSA-N -1 0 419.868 4.414 50 10 HICARM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000014009347 558613102 /nfs/dbraw/zinc/61/31/02/558613102.db2.gz VWDKLVUXHLUBNK-QGOAFFKASA-N -1 0 419.868 4.414 50 10 HICARM CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000015684893 558748924 /nfs/dbraw/zinc/74/89/24/558748924.db2.gz LTLFPXYAISHPAS-GDNBJRDFSA-N -1 0 402.453 4.105 50 10 HICARM COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000004699093 558907227 /nfs/dbraw/zinc/90/72/27/558907227.db2.gz ZNIDXAXCIMCXAX-YVLHZVERSA-N -1 0 411.841 4.224 50 10 HICARM CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)[O-] ZINC000050004101 559178219 /nfs/dbraw/zinc/17/82/19/559178219.db2.gz BSKSLRCWRMPXFN-GZTJUZNOSA-N -1 0 421.540 4.083 50 10 HICARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000013477234 560811025 /nfs/dbraw/zinc/81/10/25/560811025.db2.gz OZWZCRUQNGANOX-QPEQYQDCSA-N -1 0 412.070 4.217 50 10 HICARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc32)CC1 ZINC000020412387 568605550 /nfs/dbraw/zinc/60/55/50/568605550.db2.gz XUUKASPAEYYEMH-UHFFFAOYSA-N -1 0 412.917 4.265 50 10 HICARM CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OC ZINC000001248754 568908580 /nfs/dbraw/zinc/90/85/80/568908580.db2.gz BLQQRKKLLRQFHD-LICLKQGHSA-N -1 0 415.492 4.198 50 10 HICARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc2c(c1)CCC2 ZINC000017248859 569276889 /nfs/dbraw/zinc/27/68/89/569276889.db2.gz AGKMMAWNUZTNRF-ZHZULCJRSA-N -1 0 413.502 4.072 50 10 HICARM O=C([O-])c1cc(-c2ccc(/C=C3\NC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl ZINC000009330076 571248537 /nfs/dbraw/zinc/24/85/37/571248537.db2.gz QBCJHAKYAHFFKF-BOPFTXTBSA-N -1 0 408.797 4.396 50 10 HICARM Cc1nc2c(C(=O)NCc3ccccc3Cl)c[n-]n2c(=O)c1Cc1ccccc1F ZINC000009597696 571272534 /nfs/dbraw/zinc/27/25/34/571272534.db2.gz HDXTWFKBHOAKCS-UHFFFAOYSA-N -1 0 424.863 4.057 50 10 HICARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)c1 ZINC000005446526 845114142 /nfs/dbraw/zinc/11/41/42/845114142.db2.gz GOJZZQWNKAFDFU-RIYZIHGNSA-N -1 0 407.419 4.392 50 10 HICARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000001199647 132241824 /nfs/dbraw/zinc/24/18/24/132241824.db2.gz SVBGACKXTVGSIO-KGENOOAVSA-N -1 0 416.408 4.071 50 10 HICARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000002305220 132252148 /nfs/dbraw/zinc/25/21/48/132252148.db2.gz XWLCVNNIXPMFGJ-DEDYPNTBSA-N -1 0 419.481 4.065 50 10 HICARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C1=O ZINC000002978866 132261093 /nfs/dbraw/zinc/26/10/93/132261093.db2.gz NXWCILLDEBRHDF-QGOAFFKASA-N -1 0 405.841 4.106 50 10 HICARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C1=O ZINC000008743696 132333023 /nfs/dbraw/zinc/33/30/23/132333023.db2.gz JHSGRCKZLLZTCK-LDADJPATSA-N -1 0 401.422 4.371 50 10 HICARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000239159703 523371191 /nfs/dbraw/zinc/37/11/91/523371191.db2.gz MQOFZXYEVFMXSR-JPMPCMLZSA-N -1 0 419.543 4.125 50 10 HICARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000001176574 536184070 /nfs/dbraw/zinc/18/40/70/536184070.db2.gz QTWOACZPZSJZJI-CPNJWEJPSA-N -1 0 404.397 4.315 50 10 HICARM CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCC2 ZINC000002109068 557314598 /nfs/dbraw/zinc/31/45/98/557314598.db2.gz QNLDFZYJVLUHMZ-CABCVRRESA-N -1 0 405.516 4.189 50 10 HICARM O=C([O-])CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000002379715 557342333 /nfs/dbraw/zinc/34/23/33/557342333.db2.gz HKGHUCHZLWVMOG-CXUHLZMHSA-N -1 0 419.911 4.205 50 10 HICARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004894249 557610646 /nfs/dbraw/zinc/61/06/46/557610646.db2.gz VOLYQIPGIGYEAK-KGLIPLIRSA-N -1 0 405.516 4.189 50 10 HICARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000019828023 558291281 /nfs/dbraw/zinc/29/12/81/558291281.db2.gz PKNQLGYLXMWDBN-NDENLUEZSA-N -1 0 404.445 4.448 50 10 HICARM COc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000015723051 558749905 /nfs/dbraw/zinc/74/99/05/558749905.db2.gz PCZZIVBLFDYJNW-NVNXTCNLSA-N -1 0 419.846 4.353 50 10 HICARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)c1 ZINC000017028793 558812454 /nfs/dbraw/zinc/81/24/54/558812454.db2.gz RNPLTGWAPZKTKS-XYOKQWHBSA-N -1 0 407.245 4.026 50 10 HICARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000033332296 559063135 /nfs/dbraw/zinc/06/31/35/559063135.db2.gz OWLPWLUYXOMLTC-PTNGSMBKSA-N -1 0 403.891 4.451 50 10 HICARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1 ZINC000005024628 559229978 /nfs/dbraw/zinc/22/99/78/559229978.db2.gz QRCMYFSHVXZRDV-JCMHNJIXSA-N -1 0 413.477 4.074 50 10 HICARM CCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1 ZINC000018091093 560775209 /nfs/dbraw/zinc/77/52/09/560775209.db2.gz IHFMDNFJAKOXRR-VRENQZFPSA-N -1 0 408.439 4.064 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000004178392 568948972 /nfs/dbraw/zinc/94/89/72/568948972.db2.gz FFJUIHRWPUBBRM-MCIONIFRSA-N -1 0 407.532 4.269 50 10 HICARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1Sc1ccc(Cl)cc1 ZINC000012781058 568957748 /nfs/dbraw/zinc/95/77/48/568957748.db2.gz LHQSZBGEAIPIGU-UHFFFAOYSA-N -1 0 415.858 4.430 50 10 HICARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000013371873 569255340 /nfs/dbraw/zinc/25/53/40/569255340.db2.gz HGWMKFUGJAOVII-FYJGNVAPSA-N -1 0 417.440 4.208 50 10 HICARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000002087176 569279944 /nfs/dbraw/zinc/27/99/44/569279944.db2.gz TVMGHSOEFYWQDM-LVSMMTLPSA-N -1 0 408.504 4.065 50 10 biogenic HICARM Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000001146345 845002779 /nfs/dbraw/zinc/00/27/79/845002779.db2.gz RKBCYDQRTWTZLM-LICLKQGHSA-N -1 0 420.450 4.365 50 10 HICARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccc(O)c(Br)c3)c-2cc1O ZINC000032669136 848061589 /nfs/dbraw/zinc/06/15/89/848061589.db2.gz AQSDNXSAGQVTRZ-UHFFFAOYSA-N -1 0 415.195 4.150 50 10 HICARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1C ZINC000001176783 132240378 /nfs/dbraw/zinc/24/03/78/132240378.db2.gz ILUJHEGUJATCLW-XDHOZWIPSA-N -1 0 404.397 4.369 50 10 HICARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000002307023 132252206 /nfs/dbraw/zinc/25/22/06/132252206.db2.gz KDPFFLQVSIFHFE-GZTJUZNOSA-N -1 0 410.788 4.406 50 10 HICARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000002958252 132260529 /nfs/dbraw/zinc/26/05/29/132260529.db2.gz QUZCDTRMAZRGHD-XNTDXEJSSA-N -1 0 414.914 4.187 50 10 HICARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)c1C ZINC000004473927 132277432 /nfs/dbraw/zinc/27/74/32/132277432.db2.gz FNFKUBFDCDULKH-PDGQHHTCSA-N -1 0 404.397 4.369 50 10 HICARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000008974420 132334361 /nfs/dbraw/zinc/33/43/61/132334361.db2.gz APNWMCBFUCZQRZ-MHWRWJLKSA-N -1 0 403.360 4.278 50 10 HICARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000000982403 527048483 /nfs/dbraw/zinc/04/84/83/527048483.db2.gz VREQEOJWDZPEIQ-LDADJPATSA-N -1 0 421.250 4.269 50 10 HICARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000001235674 557250304 /nfs/dbraw/zinc/25/03/04/557250304.db2.gz XBRLNZRYWJYNAP-DFSFMLJYSA-N -1 0 403.912 4.237 50 10 HICARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004612024 557572210 /nfs/dbraw/zinc/57/22/10/557572210.db2.gz AFQXKQJEHYHJAO-MCIONIFRSA-N -1 0 419.543 4.291 50 10 HICARM COc1cccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1 ZINC000004811275 557600807 /nfs/dbraw/zinc/60/08/07/557600807.db2.gz FWYRSFZERXAJHX-UHFFFAOYSA-N -1 0 412.873 4.473 50 10 HICARM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Sc3nc[nH]n3)c2)cc1C ZINC000008870887 557812685 /nfs/dbraw/zinc/81/26/85/557812685.db2.gz PQFSIVGOMHPINB-UHFFFAOYSA-N -1 0 424.935 4.041 50 10 HICARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000022239200 558471444 /nfs/dbraw/zinc/47/14/44/558471444.db2.gz KRISLZBPZQUQSR-QSJINSDNSA-N -1 0 403.290 4.381 50 10 HICARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)o1 ZINC000013897581 558600695 /nfs/dbraw/zinc/60/06/95/558600695.db2.gz PAXDEKGUCRYXFP-WQRHYEAKSA-N -1 0 423.812 4.278 50 10 HICARM Cc1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000016268039 558782453 /nfs/dbraw/zinc/78/24/53/558782453.db2.gz OTAXOZSZDRRZSG-WQRHYEAKSA-N -1 0 421.384 4.072 50 10 HICARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000017029409 558812466 /nfs/dbraw/zinc/81/24/66/558812466.db2.gz MDKXCYRDZIMRGG-OVCLIPMQSA-N -1 0 420.343 4.229 50 10 HICARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3)o2)SC1=S ZINC000005032691 559231527 /nfs/dbraw/zinc/23/15/27/559231527.db2.gz GEDJCLKYCWJESP-QAEAHILHSA-N -1 0 417.508 4.410 50 10 HICARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000102580637 560816848 /nfs/dbraw/zinc/81/68/48/560816848.db2.gz FXOAPYHPGQZTJR-GXDHUFHOSA-N -1 0 401.220 4.076 50 10 HICARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1)CCCC3 ZINC000012324744 568471862 /nfs/dbraw/zinc/47/18/62/568471862.db2.gz AJOMTVRFNFPICQ-LJQANCHMSA-N -1 0 417.509 4.191 50 10 HICARM O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@@H](c2ccccc2)CC(=O)O1 ZINC000096115790 568695627 /nfs/dbraw/zinc/69/56/27/568695627.db2.gz YNFPWWWLNRXODL-OAHLLOKOSA-N -1 0 400.386 4.312 50 10 HICARM O=C1C[C@@H](c2ccsc2)c2c(c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096116391 568695715 /nfs/dbraw/zinc/69/57/15/568695715.db2.gz QOPCCTJOAOLGFR-ZDUSSCGKSA-N -1 0 406.415 4.374 50 10 HICARM COC(=O)C[C@H](CC(C)C)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220926 568704928 /nfs/dbraw/zinc/70/49/28/568704928.db2.gz HFGBAMKFULJEDN-AWEZNQCLSA-N -1 0 412.438 4.270 50 10 HICARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000001162526 568775581 /nfs/dbraw/zinc/77/55/81/568775581.db2.gz UEKZEZIDXAYVFH-SFQUDFHCSA-N -1 0 406.825 4.262 50 10 HICARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3c(C)cc(C)cc3C)cs2)c1 ZINC000012525772 568842859 /nfs/dbraw/zinc/84/28/59/568842859.db2.gz YRODEKMNELMJFH-UHFFFAOYSA-N -1 0 416.524 4.323 50 10 HICARM CCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OC ZINC000004039401 568880015 /nfs/dbraw/zinc/88/00/15/568880015.db2.gz MUXQIHVURFUUGH-LGMDPLHJSA-N -1 0 423.556 4.330 50 10 biogenic HICARM CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCC(=O)[O-] ZINC000013914248 569258214 /nfs/dbraw/zinc/25/82/14/569258214.db2.gz UPNJPBHJTKBING-YVLHZVERSA-N -1 0 414.845 4.008 50 10 HICARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000252626301 569310660 /nfs/dbraw/zinc/31/06/60/569310660.db2.gz QZYNXZGAGGQZLI-OAHLLOKOSA-N -1 0 402.208 4.232 50 10 HICARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002386564 569392111 /nfs/dbraw/zinc/39/21/11/569392111.db2.gz UJPFGEXOYHJRMP-MOSHPQCFSA-N -1 0 409.461 4.028 50 10 HICARM COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000009094809 571220500 /nfs/dbraw/zinc/22/05/00/571220500.db2.gz PXIWJPSLKXKKGS-UHFFFAOYSA-N -1 0 412.873 4.473 50 10 HICARM COc1ccc2nc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)ccc2c1 ZINC000009419717 571256740 /nfs/dbraw/zinc/25/67/40/571256740.db2.gz UBOVWDVQTNEPTI-WOJGMQOQSA-N -1 0 422.487 4.347 50 10 HICARM COc1ccc2c(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c[nH]c2c1 ZINC000009576956 571269815 /nfs/dbraw/zinc/26/98/15/571269815.db2.gz WKLWTDHENLRXKF-CAOOACKPSA-N -1 0 410.476 4.281 50 10 HICARM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000033314242 848134639 /nfs/dbraw/zinc/13/46/39/848134639.db2.gz MEZRQZVJBJMURX-VBKFSLOCSA-N -1 0 405.479 4.341 50 10 HICARM CCN(CC)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc34)C2=O)cc1 ZINC000002383247 132253919 /nfs/dbraw/zinc/25/39/19/132253919.db2.gz BCLFNZSPAAHDHY-XSFVSMFZSA-N -1 0 416.481 4.193 50 10 HICARM C[C@@H]1C[C@@H](C)CN(c2cc(NCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000002457308 132254805 /nfs/dbraw/zinc/25/48/05/132254805.db2.gz UHNFSUXPSFACER-ZIAGYGMSSA-N -1 0 419.481 4.408 50 10 HICARM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000004470358 132277413 /nfs/dbraw/zinc/27/74/13/132277413.db2.gz AGFGXOMLKJFWSA-PDGQHHTCSA-N -1 0 406.438 4.225 50 10 HICARM Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)c1C ZINC000009262827 132337781 /nfs/dbraw/zinc/33/77/81/132337781.db2.gz NLUXDKOBCDUEAU-HKWRFOASSA-N -1 0 419.550 4.125 50 10 HICARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000009427498 132339807 /nfs/dbraw/zinc/33/98/07/132339807.db2.gz RHOAGXGTNUHBMH-SAIXKJTDSA-N -1 0 417.259 4.222 50 10 HICARM CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1 ZINC000033143530 519894778 /nfs/dbraw/zinc/89/47/78/519894778.db2.gz YLWCWUGZPZVDQQ-QBILMKHKSA-N -1 0 408.439 4.064 50 10 HICARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017091919 521411290 /nfs/dbraw/zinc/41/12/90/521411290.db2.gz PYDNKZZUYLKQJX-XZJROXQQSA-N -1 0 419.543 4.435 50 10 HICARM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000001023544 535441103 /nfs/dbraw/zinc/44/11/03/535441103.db2.gz IBHDAJMKZGXGPT-XMHGGMMESA-N -1 0 402.475 4.070 50 10 HICARM CCOC(=O)c1ccccc1-c1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001389440 557258410 /nfs/dbraw/zinc/25/84/10/557258410.db2.gz BCAOCGDSOGDAQA-UHFFFAOYSA-N -1 0 422.915 4.441 50 10 HICARM CCCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002103401 557313852 /nfs/dbraw/zinc/31/38/52/557313852.db2.gz WVBDMEVHCIXOOZ-KBPBESRZSA-N -1 0 407.532 4.413 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002486550 557351726 /nfs/dbraw/zinc/35/17/26/557351726.db2.gz YEQKWUNUSLOHAO-KBPBESRZSA-N -1 0 405.516 4.189 50 10 HICARM CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000003864249 557501578 /nfs/dbraw/zinc/50/15/78/557501578.db2.gz XUTXGMTUPLPAHK-ZIAGYGMSSA-N -1 0 405.516 4.188 50 10 HICARM CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)[N-]C1=S ZINC000004473867 558599173 /nfs/dbraw/zinc/59/91/73/558599173.db2.gz HRNVRYHTEGTSSJ-AQTBWJFISA-N -1 0 420.465 4.479 50 10 HICARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1C ZINC000013939966 558603982 /nfs/dbraw/zinc/60/39/82/558603982.db2.gz VTQURKNYPLCNAI-UYRXBGFRSA-N -1 0 418.474 4.046 50 10 HICARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000004502456 558615762 /nfs/dbraw/zinc/61/57/62/558615762.db2.gz FNTAFDDOMBNUNA-MHWRWJLKSA-N -1 0 400.768 4.340 50 10 HICARM Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)S1 ZINC000015015879 558701762 /nfs/dbraw/zinc/70/17/62/558701762.db2.gz FQABPQYPQBEZMQ-SXGWCWSVSA-N -1 0 402.859 4.194 50 10 HICARM O=C([O-])c1cc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)ccc1Cl ZINC000004594338 558832040 /nfs/dbraw/zinc/83/20/40/558832040.db2.gz IFERGGRRAKQXDO-UHFFFAOYSA-N -1 0 416.813 4.442 50 10 HICARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000097963990 558993554 /nfs/dbraw/zinc/99/35/54/558993554.db2.gz YBYXDNWRYZFNJQ-WHEOYJBGSA-N -1 0 413.437 4.428 50 10 HICARM Cc1cc([O-])c(Sc2nc[nH]n2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000004735769 559034844 /nfs/dbraw/zinc/03/48/44/559034844.db2.gz CLWMMCLIWAYHOB-UHFFFAOYSA-N -1 0 418.544 4.068 50 10 HICARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000100542619 559136311 /nfs/dbraw/zinc/13/63/11/559136311.db2.gz FXOAPYHPGQZTJR-UVTDQMKNSA-N -1 0 401.220 4.076 50 10 HICARM CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000169619734 560765009 /nfs/dbraw/zinc/76/50/09/560765009.db2.gz AEKZUEJIEWTYSI-HZSPNIEDSA-N -1 0 405.516 4.044 50 10 HICARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000101469836 560796816 /nfs/dbraw/zinc/79/68/16/560796816.db2.gz YBYXDNWRYZFNJQ-JMSHBIQUSA-N -1 0 413.437 4.428 50 10 HICARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000002680288 560885290 /nfs/dbraw/zinc/88/52/90/560885290.db2.gz IHVAWGWOURKSRV-RAXLEYEMSA-N -1 0 401.456 4.134 50 10 HICARM O=C([O-])CN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000001203823 568823706 /nfs/dbraw/zinc/82/37/06/568823706.db2.gz HKGHUCHZLWVMOG-SXGWCWSVSA-N -1 0 419.911 4.205 50 10 HICARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000003192980 568860739 /nfs/dbraw/zinc/86/07/39/568860739.db2.gz BPLGNEYMBPHVEN-RMCZBGCRSA-N -1 0 422.380 4.401 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017087758 569030474 /nfs/dbraw/zinc/03/04/74/569030474.db2.gz FFJUIHRWPUBBRM-BFHYXJOUSA-N -1 0 407.532 4.269 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000017091914 569030488 /nfs/dbraw/zinc/03/04/88/569030488.db2.gz QEOLLLPXFLTODB-ZNMIVQPWSA-N -1 0 419.543 4.435 50 10 HICARM C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000054360762 569072250 /nfs/dbraw/zinc/07/22/50/569072250.db2.gz FEMKSEJEAYWCRE-QQJKITNRSA-N -1 0 423.515 4.421 50 10 HICARM O=S(=O)([N-]c1ccc(O)cc1)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000064988139 569145630 /nfs/dbraw/zinc/14/56/30/569145630.db2.gz LNUGFWZRLTVDAB-UHFFFAOYSA-N -1 0 411.414 4.049 50 10 HICARM Cn1cc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)c2ccccc21 ZINC000002435068 569399538 /nfs/dbraw/zinc/39/95/38/569399538.db2.gz DYYRUZRGBDMORD-IZILLXMLSA-N -1 0 422.531 4.075 50 10 HICARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(C)oc32)CC1 ZINC000019794050 569430021 /nfs/dbraw/zinc/43/00/21/569430021.db2.gz ULGBXNOQOJCDBH-UHFFFAOYSA-N -1 0 422.525 4.354 50 10 HICARM O=C(Oc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)c1cccs1 ZINC000001117549 845002324 /nfs/dbraw/zinc/00/23/24/845002324.db2.gz OYDMWNCUIDPONE-RVDMUPIBSA-N -1 0 424.865 4.082 50 10 HICARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000015659353 846082862 /nfs/dbraw/zinc/08/28/62/846082862.db2.gz XQHFMPRGQICYNV-PDGQHHTCSA-N -1 0 422.893 4.333 50 10 HICARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000097997301 852647990 /nfs/dbraw/zinc/64/79/90/852647990.db2.gz UWOVHVQZULZPMH-TYWAAFNRSA-N -1 0 405.472 4.396 50 10 HICARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000000654577 132230144 /nfs/dbraw/zinc/23/01/44/132230144.db2.gz WLRPNPGELJMVKF-DEDYPNTBSA-N -1 0 407.539 4.360 50 10 HICARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000001140469 132238788 /nfs/dbraw/zinc/23/87/88/132238788.db2.gz BGQQBYDSBRMKRQ-LDADJPATSA-N -1 0 420.356 4.031 50 10 HICARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001198123 132241899 /nfs/dbraw/zinc/24/18/99/132241899.db2.gz HSUMJMMJYSAGLB-QGOAFFKASA-N -1 0 413.930 4.018 50 10 HICARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000001220690 132242935 /nfs/dbraw/zinc/24/29/35/132242935.db2.gz OWEBLJIPOUNSKT-RIYZIHGNSA-N -1 0 405.237 4.059 50 10 HICARM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000002138441 132248945 /nfs/dbraw/zinc/24/89/45/132248945.db2.gz VFIDUZVEDJFMQX-LDADJPATSA-N -1 0 403.507 4.109 50 10 HICARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1ccc(Cl)cc1 ZINC000008997495 132334796 /nfs/dbraw/zinc/33/47/96/132334796.db2.gz VTKBTOCQALCKPU-PDGQHHTCSA-N -1 0 409.804 4.141 50 10 HICARM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000009111311 132335947 /nfs/dbraw/zinc/33/59/47/132335947.db2.gz PBFBPNDVGVSFDV-LICLKQGHSA-N -1 0 409.898 4.146 50 10 HICARM CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)[N-]C1=S ZINC000009165258 132336871 /nfs/dbraw/zinc/33/68/71/132336871.db2.gz KFXTUMUIMPJGGS-VKAVYKQESA-N -1 0 409.511 4.075 50 10 HICARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000000903146 521036565 /nfs/dbraw/zinc/03/65/65/521036565.db2.gz LDCNOLGHLDYRAF-CPNJWEJPSA-N -1 0 420.396 4.151 50 10 HICARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001908289 557295803 /nfs/dbraw/zinc/29/58/03/557295803.db2.gz CIBSWEFLBZENHX-RAXLEYEMSA-N -1 0 414.346 4.295 50 10 HICARM C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000002672403 557366640 /nfs/dbraw/zinc/36/66/40/557366640.db2.gz XHFYPQOHZOWMFW-KAECEXQPSA-N -1 0 403.525 4.240 50 10 HICARM Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)S2)cc1Cl ZINC000002904117 557425197 /nfs/dbraw/zinc/42/51/97/557425197.db2.gz 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CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000009311415 132338513 /nfs/dbraw/zinc/33/85/13/132338513.db2.gz LDCNOLGHLDYRAF-UYRXBGFRSA-N -1 0 420.396 4.151 50 10 HICARM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017250017 132465482 /nfs/dbraw/zinc/46/54/82/132465482.db2.gz USWFEBWWWJSMGP-UYRXBGFRSA-N -1 0 421.453 4.297 50 10 HICARM CCCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000017091906 520222576 /nfs/dbraw/zinc/22/25/76/520222576.db2.gz FKYYYXZWVWYSCY-DNDXXGFKSA-N -1 0 419.543 4.269 50 10 HICARM CC(=O)n1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000008771843 534960655 /nfs/dbraw/zinc/96/06/55/534960655.db2.gz BIQOSQDMZVNPES-YBFXNURJSA-N -1 0 401.422 4.425 50 10 HICARM CC[C@@H](C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004650892 557575780 /nfs/dbraw/zinc/57/57/80/557575780.db2.gz MHYQCSCLIFEYPT-RDBSUJKOSA-N -1 0 405.516 4.188 50 10 HICARM COC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004651419 557575914 /nfs/dbraw/zinc/57/59/14/557575914.db2.gz YYFJXWVWFNDEQO-CABCVRRESA-N -1 0 405.516 4.189 50 10 HICARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000002700482 557741953 /nfs/dbraw/zinc/74/19/53/557741953.db2.gz BMWOHCGTDZADEU-SXGWCWSVSA-N -1 0 419.911 4.205 50 10 HICARM Cn1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c2ccccc21 ZINC000013758385 558590729 /nfs/dbraw/zinc/59/07/29/558590729.db2.gz CNQVUQUGFBQONA-PNDHZVEESA-N -1 0 408.504 4.205 50 10 HICARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000013775187 558592224 /nfs/dbraw/zinc/59/22/24/558592224.db2.gz YYLKKPXZEAULTD-UHFFFAOYSA-N -1 0 416.465 4.330 50 10 HICARM COc1cccc(N=C(C)c2c(C)[n-]n(-c3nc4ccccc4s3)c2=O)c1OC ZINC000100423149 559135065 /nfs/dbraw/zinc/13/50/65/559135065.db2.gz VTQKXZKNLURXGR-PDGQHHTCSA-N -1 0 408.483 4.422 50 10 HICARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O ZINC000001087594 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HICARM Cc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1[N+](=O)[O-] ZINC000013058510 845903606 /nfs/dbraw/zinc/90/36/06/845903606.db2.gz AIQQJMMWOPQQGL-NVNXTCNLSA-N -1 0 400.437 4.007 50 10 HICARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCC1 ZINC000000654259 132230169 /nfs/dbraw/zinc/23/01/69/132230169.db2.gz ANMRKKPINAKGHJ-CPNJWEJPSA-N -1 0 407.539 4.360 50 10 HICARM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000001171319 132239996 /nfs/dbraw/zinc/23/99/96/132239996.db2.gz HIEHQMIFYVYWSU-NTEUORMPSA-N -1 0 405.237 4.059 50 10 HICARM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001198075 132241880 /nfs/dbraw/zinc/24/18/80/132241880.db2.gz QAGXHIDIZXLGPF-RMKNXTFCSA-N -1 0 411.628 4.019 50 10 HICARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)ccc1Br ZINC000001210993 132242457 /nfs/dbraw/zinc/24/24/57/132242457.db2.gz QKPYYPAODYHHBO-UKTHLTGXSA-N -1 0 419.662 4.077 50 10 HICARM CCc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000004620688 132280298 /nfs/dbraw/zinc/28/02/98/132280298.db2.gz NIYSAPJIYBBENI-PGMHBOJBSA-N -1 0 419.550 4.071 50 10 HICARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCC1 ZINC000004738852 132286304 /nfs/dbraw/zinc/28/63/04/132286304.db2.gz ANMRKKPINAKGHJ-UYRXBGFRSA-N -1 0 407.539 4.360 50 10 HICARM CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)o3)C(=O)[N-]C2=S)cc1 ZINC000008914955 132334100 /nfs/dbraw/zinc/33/41/00/132334100.db2.gz YRTALDARKFGUGI-GHRIWEEISA-N -1 0 413.499 4.196 50 10 HICARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1 ZINC000008993774 132334651 /nfs/dbraw/zinc/33/46/51/132334651.db2.gz SPEZYNYZNKESTA-ATVHPVEESA-N -1 0 422.824 4.275 50 10 HICARM COc1cccc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)nc21 ZINC000032056300 524261465 /nfs/dbraw/zinc/26/14/65/524261465.db2.gz FSCIBRCVIVOVEX-GZTJUZNOSA-N -1 0 422.487 4.347 50 10 HICARM CCCCN1CCc2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 ZINC000009450894 535275207 /nfs/dbraw/zinc/27/52/07/535275207.db2.gz 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CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000000694476 557061521 /nfs/dbraw/zinc/06/15/21/557061521.db2.gz GNLDXJZHRUMQTK-ZIAGYGMSSA-N -1 0 407.532 4.413 50 10 HICARM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000001476373 557269841 /nfs/dbraw/zinc/26/98/41/557269841.db2.gz WSADNYYSESYYNB-PDGQHHTCSA-N -1 0 413.520 4.250 50 10 HICARM CCCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002103397 557313844 /nfs/dbraw/zinc/31/38/44/557313844.db2.gz WVBDMEVHCIXOOZ-UONOGXRCSA-N -1 0 407.532 4.413 50 10 HICARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002390269 557343820 /nfs/dbraw/zinc/34/38/20/557343820.db2.gz MDXPBYIWHGNVSQ-CXUHLZMHSA-N -1 0 419.911 4.205 50 10 HICARM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000004704562 557584722 /nfs/dbraw/zinc/58/47/22/557584722.db2.gz ZXFVMHVBWGGGPC-XSFVSMFZSA-N -1 0 400.434 4.213 50 10 HICARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013894244 558600190 /nfs/dbraw/zinc/60/01/90/558600190.db2.gz BWSBYTLCVHSKEV-ATVHPVEESA-N -1 0 403.350 4.362 50 10 HICARM O=C([O-])c1ccc(Cl)cc1NC=C1N=C(c2ccc(Br)cc2)OC1=O ZINC000004508182 558622366 /nfs/dbraw/zinc/62/23/66/558622366.db2.gz VSMWRNBKGNXXJB-ZSOIEALJSA-N -1 0 421.634 4.058 50 10 HICARM CC(=C\c1ccccc1)/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000015012500 558700773 /nfs/dbraw/zinc/70/07/73/558700773.db2.gz RYBJEHCXJKPELE-YMGXUNRSSA-N -1 0 411.255 4.062 50 10 HICARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000033162098 558896030 /nfs/dbraw/zinc/89/60/30/558896030.db2.gz PBNFKWUCGYFOCU-YBFXNURJSA-N -1 0 420.396 4.185 50 10 HICARM CCSc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC000033298841 559048157 /nfs/dbraw/zinc/04/81/57/559048157.db2.gz LUNQZVMBUAPZLC-UHFFFAOYSA-N -1 0 408.555 4.214 50 10 HICARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000033332245 559063120 /nfs/dbraw/zinc/06/31/20/559063120.db2.gz 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O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000001147700 132239144 /nfs/dbraw/zinc/23/91/44/132239144.db2.gz SMBFPXUQQMPNOG-RCCKNPSSSA-N -1 0 414.486 4.097 50 10 HICARM CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C ZINC000001150568 132239170 /nfs/dbraw/zinc/23/91/70/132239170.db2.gz GNTQYFJJGSXKJW-XDHOZWIPSA-N -1 0 410.445 4.323 50 10 HICARM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000001153662 132239307 /nfs/dbraw/zinc/23/93/07/132239307.db2.gz HYWJCHRKAGTMDA-MPMPPSQCSA-N -1 0 412.873 4.492 50 10 HICARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1 ZINC000001186323 132241273 /nfs/dbraw/zinc/24/12/73/132241273.db2.gz HDOGGSRJMSCRSJ-WOJGMQOQSA-N -1 0 421.403 4.039 50 10 HICARM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(OC)c3)C2=O)c2ccccc21 ZINC000002195151 132249238 /nfs/dbraw/zinc/24/92/38/132249238.db2.gz AJHKTBXUDXKQLV-WOJGMQOQSA-N -1 0 405.479 4.341 50 10 HICARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccccc2)o1 ZINC000002374109 132253705 /nfs/dbraw/zinc/25/37/05/132253705.db2.gz KKGDQORSPFEIMU-LFIBNONCSA-N -1 0 402.362 4.182 50 10 HICARM CC1CCN(c2cc(NCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457319 132254820 /nfs/dbraw/zinc/25/48/20/132254820.db2.gz UXEOGDHGXONLOG-UHFFFAOYSA-N -1 0 405.454 4.162 50 10 HICARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000000640791 557032639 /nfs/dbraw/zinc/03/26/39/557032639.db2.gz QITZTSSMMPGLDL-KGENOOAVSA-N -1 0 414.461 4.044 50 10 HICARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001916906 557296566 /nfs/dbraw/zinc/29/65/66/557296566.db2.gz LMPMYUYPPMCFOO-RAXLEYEMSA-N -1 0 414.346 4.295 50 10 HICARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O ZINC000002505611 557353477 /nfs/dbraw/zinc/35/34/77/557353477.db2.gz JYMPQFLSLFTILZ-OAQYLSRUSA-N -1 0 403.434 4.447 50 10 HICARM CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2S(=O)(=O)[O-])cc1 ZINC000004520956 557563126 /nfs/dbraw/zinc/56/31/26/557563126.db2.gz 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