smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)ccc1C 20244016 ZEQWANCABWAXLW-LDADJPATSA-N 290.366 4.110 10 40 CICB CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1F 104051282 ZRPSECKBKXEBBD-ZCXUNETKSA-N 257.268 4.200 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccc(C)s3)C(=O)O2)cc1 409054181 SEXXDBGXTIZNOB-NTEUORMPSA-N 282.364 4.346 10 40 CICB CC(C)N1c2cc(Cl)c(CN)cc2[C@@H](C)CC1(C)C 223780764 OMRUNXYHDVRONY-NSHDSACASA-N 280.843 4.299 10 40 CICB CC(C)n1cc(/C=C/c2cccc[n+]2C)c2ccccc21 4932985 BLOXNXKYXXHUTM-UHFFFAOYSA-N 277.391 4.217 10 40 CICB CCOc1cccc(CNc2cccc(Cl)c2C)c1O 19905489 JAMPZQAFQZPIGF-UHFFFAOYSA-N 291.778 4.365 10 40 CICB CN(C)c1ccc(/C=C2/C=Cc3ccccc32)c(F)c1 17004809 IZVVITUSWNTFCA-KAMYIIQDSA-N 265.331 4.459 10 40 CICB Cc1nn(-c2ccccc2)c(O)c1/N=N/c1ccccc1O 100490631 ZUGCUORSFOPGCX-ISLYRVAYSA-N 294.314 4.007 10 40 CICB CN(C)c1ccc(/C=C/c2nc3ccccc3o2)cc1 4052015 DQOPDYYQICTYEY-FMIVXFBMSA-N 264.328 4.064 10 40 CICB Oc1c(Cl)cc(Cl)cc1CNC1CCCCC1 19879107 XMSSXBOVAWDLSY-UHFFFAOYSA-N 274.191 4.121 10 40 CICB CCOc1cccc(CNc2c(C)cc(C)cc2C)c1O 37763566 QDHYRXAFZUSHOT-UHFFFAOYSA-N 285.387 4.328 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(CO)c2)cc1Cl 70461976 SYNNJKIZXKLTSH-WUKNDPDISA-N 276.723 4.262 10 40 CICB c1cc2nsnc2cc1/N=N/c1ccc2nsnc2c1 5344562 GGKIJWYFZSBAFQ-BUHFOSPRSA-N 298.356 4.111 10 40 CICB Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1 62719912 NIWKDBUFDHQZPN-UHFFFAOYSA-N 293.153 4.308 10 40 CICB Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409332632 LEQIIDZNYDYEOA-KLHDSHLOSA-N 263.384 4.148 10 40 CICB O=C(O)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 4993968 WHYSDEAUKYVHBQ-VHEBQXMUSA-N 293.282 4.054 10 40 CICB CCOC(=O)c1cc(C(C)(C)C)n(-c2ccccc2)c1C 113313 WOPQCXBFULUHAL-UHFFFAOYSA-N 285.387 4.260 10 40 CICB Cc1ccc(-c2ccco2)n1-c1ccc(N(C)C)cc1 228979510 KLOPOBFMFBRLLM-UHFFFAOYSA-N 266.344 4.112 10 40 CICB Oc1ccccc1CNCC12CC3C[C@H](CC[C@@H](C3)C1)C2 100729324 JSGYFGDVUVUJIX-RXDZZFBJSA-N 285.431 4.088 10 40 CICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 4320367 AFUQGUYCNGJYNT-AZAGILFBSA-N 295.382 4.195 10 40 CICB Nc1ccc(/N=N\c2cccc(Br)c2)c(N)c1 13403074 ZSUFRRAJYQXNMT-MSUUIHNZSA-N 291.152 4.029 10 40 CICB CCCNCc1cc(C)n(-c2ccc(Cl)cc2)c1C 223671464 RAYRBYVNZGSCQS-UHFFFAOYSA-N 276.811 4.247 10 40 CICB Cc1cc(=O)oc2cc(O)c(/N=N/c3ccccc3)cc12 100709833 MTVPSCAZBNJLAQ-ISLYRVAYSA-N 280.283 4.222 10 40 CICB Cc1ccc(C)n1-c1cc(Cl)c([N+](=O)[O-])cc1Cl 163539 MLHGSKCNJTXMGV-UHFFFAOYSA-N 285.130 4.309 10 40 CICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 36239811 LKCVPAJAXLUURH-VKJFTORMSA-N 291.350 4.211 10 40 CICB Cc1ccc2c(Nc3ccc(N)cc3)ccnc2c1C 64875357 FGEYFJKZKXSWKF-UHFFFAOYSA-N 263.344 4.177 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(C=O)c2)c(C)c1 70461639 MNNVLCDRUHUEAH-WUKNDPDISA-N 254.289 4.237 10 40 CICB O=[N+]([O-])c1ccc(/N=N/c2c[nH]c3ccccc23)cc1 18191555 QWQRNPXFMRBXDX-WUKNDPDISA-N 266.260 4.492 10 40 CICB C1=C[C@H]2c3ccccc3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 36081257 UWEIEKDPXVVQDU-RFUYNDQBSA-N 291.350 4.242 10 40 CICB CN(Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O 32751028 VGMZBMQCWXVVJL-UHFFFAOYSA-N 299.414 4.027 10 40 CICB Oc1ccccc1C1Nc2cccc3cccc(c23)N1 228760 ZNJCTIKOECRRTD-UHFFFAOYSA-N 262.312 4.082 10 40 CICB Cc1cccc(C)c1NCc1cc(Cl)ccc1O 44836117 JDKGRKRLXPNXJZ-UHFFFAOYSA-N 261.752 4.275 10 40 CICB O=C1c2ccccc2C(=O)c2c1oc1c2ccc2ccccc21 1564318 ALXCRFWBTUYTAV-UHFFFAOYSA-N 298.297 4.361 10 40 CICB CCN1c2cc(C)c(/C=C\[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208324184 SIIJKTRFKPNWEV-MEJMFZKBSA-N 288.391 4.355 10 40 CICB CN(Cc1cccc(F)c1)Cc1c(O)ccc2ccccc12 6507346 VBPOSJWYZQIPJF-UHFFFAOYSA-N 295.357 4.317 10 40 CICB Cc1cc(C(=O)O)ccc1-n1c(C)ccc1-c1ccccc1 8413362 FIUBAQAMHVVSGD-UHFFFAOYSA-N 291.350 4.459 10 40 CICB CCc1ccc(O)c(/N=N/c2cc(OC)ccc2OC)c1 4615934 IEOQVFDRSPTPHM-ISLYRVAYSA-N 286.331 4.387 10 40 CICB Oc1ccccc1CNCC12CCC3C[C@H](C[C@@H](C3)C1)C2 100667647 RDUIUKQNFFCBDQ-BWRBCVJASA-N 285.431 4.088 10 40 CICB CCCCc1ccc(NCc2ccccc2O)cc1 21503974 GMSBTTQYZUXKJV-UHFFFAOYSA-N 255.361 4.347 10 40 CICB CCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1632437 IRJHPXGJXPEWCB-UHFFFAOYSA-N 282.431 4.361 10 40 CICB CCOc1ccc(C2=C/C(=C\c3cccs3)C(=O)O2)cc1 4803371 GNTTXKMQGJMULY-JLHYYAGUSA-N 298.363 4.128 10 40 CICB Cc1ccc(C)c(NCc2cc(Cl)ccc2O)c1 19964647 GQWPDAHDRCIXSC-UHFFFAOYSA-N 261.752 4.275 10 40 CICB Cc1ccc(/N=N/N(C)[C@@H](C)[C@H](O)c2ccccc2)cc1 4468875 QAEURDUQZMGCNP-BIGHQGQASA-N 283.375 4.048 10 40 CICB CC(=O)N(C(C)=O)c1ccc(/N=N/c2ccccc2)cc1C 18066347 LABVODJOASGFMJ-VHEBQXMUSA-N 295.342 4.310 10 40 CICB Cc1ccc(/N=N/c2ccc(CC(=O)O)cc2)cc1 4742444 YMSZSAHXGJYWBS-WUKNDPDISA-N 254.289 4.038 10 40 CICB Cc1cc(/N=N/c2ccccc2Cl)cc(C(=O)O)c1O 70461933 GJXMRVYCKODDRR-WUKNDPDISA-N 290.706 4.468 10 40 CICB Cc1c(Cl)cccc1/N=N/c1ccc(O)c(C(=O)O)c1 70461944 SZMDHNLYIJDDGB-WUKNDPDISA-N 290.706 4.468 10 40 CICB Clc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 409334519 SLLARZHOJDOKBL-REWJHTLYSA-N 283.802 4.493 10 40 CICB CC(=O)Nc1cccc(/N=N/c2cccc(NC(C)=O)c2)c1 3845314 MFQVTKNFHJLIFA-FMQUCBEESA-N 296.330 4.019 10 40 CICB CCN1c2ccc(/C=C\[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223538071 NFDUGPUNWCRVEF-LAUAKBEESA-N 274.364 4.046 10 40 CICB CCOC(=O)CCCC[C@H](C)/N=N\c1ccccc1 104103754 VGLBMZUUDLOYBZ-WPCFGXOUSA-N 262.353 4.282 10 40 CICB COc1ccc(-c2ccc(C)n2-c2cccc(OC)c2)cc1 199732659 AYFHNVQSSAXJGM-UHFFFAOYSA-N 293.366 4.470 10 40 CICB Cc1cnc(SCC(=O)c2ccc(Cl)cc2)s1 20281780 LCWPRVYJAMPLER-UHFFFAOYSA-N 283.805 4.080 10 40 CICB in-vitro Cc1nn(C(=S)S)c(C)c1/N=N\c1cccc(F)c1 104222680 ODPJNCQUIOHKGK-PFONDFGASA-N 294.380 4.117 10 40 CICB CN(C)c1ccc(/C=C/c2cc(=O)oc3ccccc23)cc1 7089667 PXIJIRBYWYBFBT-JXMROGBWSA-N 291.350 4.029 10 40 CICB Cc1cccc(/N=N/c2ccc(O)c(C=O)c2)c1C 70461638 VAGYZUMVAJYWIW-WUKNDPDISA-N 254.289 4.237 10 40 CICB Cc1cc2ccccc2c2c(C)c3cccc[n+]3cc12 1609547 DTKPDEGKLBAHAM-UHFFFAOYSA-N 258.344 4.349 10 40 CICB c1ccc(C[n+]2ccc(-c3c[nH]c4ccccc34)cc2)cc1 4713461 YWOZLPRSHVUKJK-UHFFFAOYSA-O 285.370 4.171 10 40 CICB CN(C)c1ccc(/C=C\c2nccc3ccccc23)cc1 5495502 SZIQJAQQBGULIE-XFXZXTDPSA-N 274.367 4.471 10 40 CICB CCN1C(=O)/C(=C\c2ccc3ccccc3c2)SC1=S 5171760 NZXUWSXNPWQPNT-GXDHUFHOSA-N 299.420 4.061 10 40 CICB Cc1cc(O)c(/N=N\c2ccc(C(=O)O)cc2)cc1C 13543491 IRPMNRQJHGUWHK-MSUUIHNZSA-N 270.288 4.123 10 40 CICB CCCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C 223787716 OCDDGZCUVHJQDQ-LBPRGKRZSA-N 278.415 4.047 10 40 CICB CN(C)c1ccc(/C=C\c2ccnc3c(O)cccc23)cc1 17047266 OSSROFZTGSSYNR-TWGQIWQCSA-N 290.366 4.177 10 40 CICB Nc1ccc(Oc2ccc(N)cc2-c2ccccc2)cc1 98180674 MXVHUTKGCQIBCD-UHFFFAOYSA-N 276.339 4.310 10 40 CICB Cc1ccc(C)n1-c1cccc(C(=O)Nc2ccccc2)c1 546480 GVBKJFKKEXNGOA-UHFFFAOYSA-N 290.366 4.346 10 40 CICB Cc1cc(O)c(CN2CC=C(c3ccccc3)CC2)cc1C 7075909 SVPDDRCRYCYCLE-UHFFFAOYSA-N 293.410 4.298 10 40 CICB Cc1ccc(-c2ccc(C(=S)N3CCCCC3)o2)cc1 9183954 UWPCTXYAQTZRMA-UHFFFAOYSA-N 285.412 4.416 10 40 CICB Cc1nc(N)nc(C)c1/N=N/c1ccc(Cl)cc1Cl 16930755 FGHVSOCUXFSNDR-VHEBQXMUSA-N 296.161 4.398 10 40 CICB Nc1ccc(N(c2ccccc2)c2ccc(N)cc2)cc1 3896284 YFBMJEBQWQBRQJ-UHFFFAOYSA-N 275.355 4.321 10 40 CICB CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1C 17723412 JQIICPHBQWYCAC-ISLYRVAYSA-N 253.305 4.369 10 40 CICB Fc1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 4003806 NJSSLNIXNSNTRD-WWGRRREGSA-N 266.319 4.047 10 40 CICB Fc1cccc(C(=S)SCc2ccccc2)c1 71256983 DLJHBIGJSGSUQO-UHFFFAOYSA-N 262.374 4.435 10 40 CICB Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1 113686 DWIYTBRYOQDHTE-UHFFFAOYSA-N 277.323 4.151 10 40 CICB in-vitro Oc1ccc2ccccc2c1CN1CC2CCC(CC2)C1 1615808 NYTILELMQJUQGB-UHFFFAOYSA-N 281.399 4.167 10 40 CICB COc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 17005675 CHGPHWNJICZVNY-CCEZHUSRSA-N 257.249 4.019 10 40 CICB CC1=CC(C)(C)N(C(C)C)c2cc(Cl)c(CN)cc21 223796151 YOTFWQARAISNAT-UHFFFAOYSA-N 278.827 4.209 10 40 CICB COc1cc(/N=N/c2ccc(Cl)cc2)cc(C=O)c1O 70461995 AIWKIWTYDBYSAV-WUKNDPDISA-N 290.706 4.282 10 40 CICB CNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223782787 SRXKZVAJFUFDEQ-AWEZNQCLSA-N 274.452 4.215 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 4140565 GFFORNJPBHBBKZ-ZQIUZPCESA-N 266.319 4.047 10 40 CICB Cc1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1C 70461674 CKVHDDMBQSYMEF-ISLYRVAYSA-N 284.315 4.431 10 40 CICB Cc1ccc(C)n1-c1ccc(-c2ccc(N)cc2)cc1 205072839 QPBUKMLUPLCVBJ-UHFFFAOYSA-N 262.356 4.343 10 40 CICB CCCN1c2ccc(CNCC)cc2[C@@H](C)CC1(C)C 223784457 PUVFFGDWCFMCBH-AWEZNQCLSA-N 274.452 4.298 10 40 CICB CC(=O)c1ccc(/N=N/N(C)c2ccc(C(C)=O)cc2)cc1 18120204 ZDGXLHILGUBZKN-VHEBQXMUSA-N 295.342 4.227 10 40 CICB COc1cccc(CNc2cc(Cl)cc(Cl)c2)c1O 19911010 BNQHKFXSFIKKGC-UHFFFAOYSA-N 298.169 4.320 10 40 CICB CC1=CC(C)(C)N(C)c2cc(C)c(CNC(C)C)cc21 223821704 FTGTXIYXHHBBKY-UHFFFAOYSA-N 272.436 4.125 10 40 CICB CC/C(=C/c1ccc(N(C)C)cc1)c1ccncc1 1571037 ONNMQUCZUHOJPE-SQFISAMPSA-N 252.361 4.098 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 4004329 SECYMZWHUFZRKC-JKDFXYPNSA-N 284.309 4.186 10 40 CICB CCCN1c2cc(F)c(CNCC)cc2[C@@H](C)CC1(C)C 223785732 MSPGZRDAPFULBA-ZDUSSCGKSA-N 292.442 4.437 10 40 CICB COc1cc(C(C)(C)CC(C)(C)C)cc(CN(C)C)c1O 1592041 MFPMSHOJFPZKBY-UHFFFAOYSA-N 293.451 4.176 10 40 CICB Cc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)o1 33303431 RURSXBCIISBJQS-OQLLNIDSSA-N 280.323 4.186 10 40 CICB Oc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1O 14186258 CZUKTMVAWPOFIF-UHFFFAOYSA-N 287.315 4.027 10 40 CICB CSc1ncc(-c2ccccc2)n1Cc1ccccc1 44085415 MJEOGKOWHWQGHC-UHFFFAOYSA-N 280.396 4.320 10 40 CICB COc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1 13522719 POFIKJKJPDPHTI-UHFFFAOYSA-N 284.384 4.038 10 40 CICB CC(C)c1ccc(Cn2ccc3cc(N)ccc32)cc1 36949948 ZFPJRPZUXPWUBJ-UHFFFAOYSA-N 264.372 4.395 10 40 CICB CN1CC[C@@H](C=C2c3ccccc3CCc3ccccc32)C1 1678255 XGTMDFMSBGZUBR-INIZCTEOSA-N 289.422 4.169 10 40 CICB CCN1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C 72216838 VBBOADRTHHLYOK-QGZVFWFLSA-N 283.419 4.036 10 40 CICB CC(=O)Nc1cccc(N=Nc2cccc(NC(C)=O)c2)c1 245239777 MFQVTKNFHJLIFA-UHFFFAOYSA-N 296.330 4.019 10 40 CICB c1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 3906248 SLWCTSPVYONLNO-UHFFFAOYSA-N 275.311 4.338 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Cl 102570648 HGJMDJKMUGAFSI-RVDMUPIBSA-N 296.757 4.146 10 40 CICB CC(C)(C)n1cnc2cc(NCc3ccccc3O)ccc21 249582 RZQYMWFGBPAGBX-UHFFFAOYSA-N 295.386 4.109 10 40 CICB CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1 360483 UOCHEQZTEICYCJ-UHFFFAOYSA-N 272.367 4.284 10 40 CICB Cc1cccc(NCc2cc(Cl)ccc2O)c1C 19964313 LBRAVJDBGVASHY-UHFFFAOYSA-N 261.752 4.275 10 40 CICB CCCCN1c2cc(F)c(CNC)cc2[C@@H](C)CC1(C)C 223783660 AZFLZKNDXRWEGS-ZDUSSCGKSA-N 292.442 4.437 10 40 CICB O=C1c2ccccc2C(=O)[C@@H]2CC=C(c3ccccc3)C[C@H]12 18166983 GRMBYWZIMSNRJK-MSOLQXFVSA-N 288.346 4.175 10 40 CICB CC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 32152664 FEUFGLNLZDSHCO-UHFFFAOYSA-N 292.176 4.059 10 40 CICB Cc1cc(CO)c(C)n1-c1ccc(-c2ccccc2)cc1 8701691 YWOPBRNYENAZHZ-UHFFFAOYSA-N 277.367 4.253 10 40 CICB CCc1ccccc1NCc1cc(Cl)ccc1O 19956700 TWDJMEUXWFVLDV-UHFFFAOYSA-N 261.752 4.220 10 40 CICB Oc1c(CN2CC[C@H]3CC[C@@H](C3)C2)ccc2ccccc12 104069601 KRSKWSDZSFLDIP-CABCVRRESA-N 281.399 4.167 10 40 CICB COc1ccc(-c2cn3c(c2C)-c2ccc(C)n2CC3)cc1 271211 JLFFKXBRXQVRJA-UHFFFAOYSA-N 292.382 4.263 10 40 CICB CCCCc1ccc(C=O)n1Cc1ccc(Cl)cc1 226027112 FALABVIGWSSSOX-UHFFFAOYSA-N 275.779 4.345 10 40 CICB Cc1cccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)n1 228975957 NKKHYXWLVAMPQA-UHFFFAOYSA-N 291.398 4.222 10 40 CICB CCCCN[C@@H](Cc1ccccc1)c1ccccc1O 1664850 ZLQGXMUSHLAGBT-KRWDZBQOSA-N 269.388 4.066 10 40 CICB O=[N+]([O-])C1CCC(/N=N\c2c(O)ccc3ccccc23)CC1 104266067 YWPAVHNETHXVGV-ZCXUNETKSA-N 299.330 4.217 10 40 CICB COc1cccc(-n2c(C)ccc2-c2ccc(C)o2)c1 199732922 LVAYTUPUOVQQQO-UHFFFAOYSA-N 267.328 4.363 10 40 CICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 1005094 LKCVPAJAXLUURH-RVKKMQEKSA-N 291.350 4.211 10 40 CICB COc1cc2cccc(Oc3ccc(N)cc3)c2cc1OC 1542984500 DXQYMZPALWQHBS-UHFFFAOYSA-N 295.338 4.232 10 40 CICB Cc1nc(N)nc(C)c1/N=N/c1cccc(Cl)c1Cl 16930786 UYZIYQUWJJQMMP-VHEBQXMUSA-N 296.161 4.398 10 40 CICB O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 14550699 PSSIWTFJIWBMDZ-ZVZYQTTQSA-N 292.338 4.421 10 40 CICB Cc1ccc(/N=N/c2ccc(O)cc2)c([N+](=O)[O-])c1 18120807 PABKMSHFAAKVFN-CCEZHUSRSA-N 257.249 4.024 10 40 CICB CCN(CC)c1ccc(/C=C\c2cccc[n+]2CC)cc1 5949872 NNTDROPABZJNLP-UHFFFAOYSA-N 281.423 4.011 10 40 CICB COC(=O)c1ccccc1/N=N\c1cc(C)c(C)cc1O 17041991 CUJXRPCBUYGJOU-ZCXUNETKSA-N 284.315 4.211 10 40 CICB O=C1OC(c2cccs2)=C/C1=C\c1ccccc1Cl 409055152 WPJVJPJFGSSLQT-DHZHZOJOSA-N 288.755 4.383 10 40 CICB O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1O 1686894 MEYYCAJJBLPNLA-UKTHLTGXSA-N 298.725 4.027 10 40 CICB Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2C(C)C)cn1 72216783 RLTBGECYYRLTQL-GOSISDBHSA-N 297.446 4.425 10 40 CICB CC(=O)c1ccc(/N=N\N(C)c2ccc(C(C)=O)cc2)cc1 104213625 ZDGXLHILGUBZKN-HNENSFHCSA-N 295.342 4.227 10 40 CICB O=C(O)c1ccc(/N=N/c2ccc(O)cc2Cl)cc1 4843953 ALCMDLHWEXFVDC-FOCLMDBBSA-N 276.679 4.159 10 40 CICB c1ccc(-c2c3ccccc3c[n+]3ccccc23)cc1 1682960 UIAVEJAOABFQHI-UHFFFAOYSA-N 256.328 4.246 10 40 CICB CCOc1cccc(CNc2ccc(C)cc2Cl)c1O 20471257 KLYZUBTYIBBNLS-UHFFFAOYSA-N 291.778 4.365 10 40 CICB Cc1nc(N)nc(C)c1/N=N/c1cc(Cl)cc(Cl)c1 18066085 ORYLJRXIVDETDW-VHEBQXMUSA-N 296.161 4.398 10 40 CICB Oc1ccc(Cl)cc1CNc1cccc(Cl)c1 19920425 ZYSYZZULNWHLNE-UHFFFAOYSA-N 268.143 4.311 10 40 CICB Oc1cccc(Cl)c1CNc1ccc(Cl)cc1 97229161 NMFPYAQDJCJEHK-UHFFFAOYSA-N 268.143 4.311 10 40 CICB S=C(c1ccccc1)c1ccccc1Br 228948041 HPKXGPINFSLSLF-UHFFFAOYSA-N 277.186 4.215 10 40 CICB Cc1ccc(/C=C2\C=C(c3cccs3)OC2=O)s1 409051467 AHYDSVLWOPEWKB-JXMROGBWSA-N 274.366 4.099 10 40 CICB CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1188869 KFDCDBOYIGOJDQ-LCYFTJDESA-N 291.441 4.031 10 40 CICB Fc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1 3906251 XPIKBTUVNZPCKX-UHFFFAOYSA-N 293.301 4.477 10 40 CICB CCn1c(/N=N/c2ccc(OC)cc2)nc2ccccc21 4114792 ZZXLVOOTUOGHKY-VHEBQXMUSA-N 280.331 4.480 10 40 CICB CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S 2666861 XZQUAXPLKIWGMS-LUAWRHEFSA-N 297.470 4.140 10 40 CICB Cc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 14196524 AHLYANSEQPQIOD-UHFFFAOYSA-N 283.352 4.197 10 40 CICB COc1cccc(CNc2cccc(C(C)C)c2)c1O 20136533 JSEUHKIWFTWBRN-UHFFFAOYSA-N 271.360 4.136 10 40 CICB CNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C=C2C 223798114 ZHMCTLRZPJYBQT-UHFFFAOYSA-N 292.854 4.470 10 40 CICB CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223802028 DGZSENINCSSXIT-UHFFFAOYSA-N 292.854 4.471 10 40 CICB Cc1c(Cl)cc(C(C)C)c(O)c1CN1CCCCC1 1677245 YVMQLJCACNGCKO-UHFFFAOYSA-N 281.827 4.463 10 40 CICB CCN1c2ccc(CNC(C)C)cc2[C@@H](C)CC1(C)C 223788619 VZPOBWDVOHGPJM-AWEZNQCLSA-N 274.452 4.297 10 40 CICB COc1ccc(/N=N\c2cccc([N+](=O)[O-])c2)cc1 104260740 NUUBRSPCNKHXJP-PFONDFGASA-N 257.249 4.019 10 40 CICB c1ccc(/N=N/C2=NN(c3ccccc3)CCS2)cc1 17836705 KUZGYCMGKHPLOC-WUKNDPDISA-N 282.372 4.295 10 40 CICB CN(C)c1ccc(/C=C/C=C/c2ccc(C=O)cc2)cc1 3191111 BTRTUXJKNNOMIG-GGWOSOGESA-N 277.367 4.292 10 40 CICB CC(C)(C)c1cc(C[N+](C)(C)C)c(O)c(C(C)(C)C)c1 1572803 QGPURDZBVAKMOK-UHFFFAOYSA-O 278.460 4.193 10 40 CICB CN1C=CC(=Cc2ccc3ccccc3[n+]2C)c2ccccc21 13732292 WYCGNFFSEMIRHC-UHFFFAOYSA-N 299.397 4.168 10 40 CICB Cc1ccc(/N=N/Nc2cccc([N+](=O)[O-])c2)cc1C 5618119 KZFRFOVBAPAJNA-UHFFFAOYSA-N 270.292 4.322 10 40 CICB CCc1ccc(O)c(/N=N/c2ccc(OC)cc2)c1 4599884 HHDQGRGILIUCRS-WUKNDPDISA-N 256.305 4.379 10 40 CICB Cc1ccccc1NCc1cc(Br)ccc1O 6913029 BCPTYKOWMSKCGR-UHFFFAOYSA-N 292.176 4.075 10 40 CICB Nc1ccc2c(c1)/C(=C\c1cccnc1)c1ccccc1-2 4823765 ZWYUFWNKPCVDMB-ZDLGFXPLSA-N 270.335 4.233 10 40 CICB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 58850570 ATCGJXDQYWTNEO-QWQRMKEZSA-N 262.356 4.217 10 40 CICB Cc1ccc(NCc2ccccc2O)cc1Br 41361 ZUFUJMSZYRVNKP-UHFFFAOYSA-N 292.176 4.075 10 40 CICB Cc1cccc(NCc2cc(Br)ccc2O)c1 6912888 DICGLGMRLMALJS-UHFFFAOYSA-N 292.176 4.075 10 40 CICB CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 216096353 AQBPDLRKTHCWMP-UHFFFAOYSA-N 299.374 4.053 10 40 CICB Cc1cccc(C)c1/N=N/c1ccc(O)c(CN(C)C)c1 6005902 PBOOGLDTJWLDNA-VHEBQXMUSA-N 283.375 4.486 10 40 CICB Nc1ccc(N2Cc3ccccc3-c3ccccc3C2)cc1 5027585 MKOSDZPGYFFSBT-UHFFFAOYSA-N 286.378 4.456 10 40 CICB O=c1ccc2cc(/N=N\c3ccccc3)ccc2o1 102118186 CNORDUGJKVSSOA-MSUUIHNZSA-N 250.257 4.208 10 40 CICB COC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 223703728 UCBXCYKUNDCTJE-UHFFFAOYSA-N 298.169 4.188 10 40 CICB Cc1ccc(C)c(/N=N/c2ccc(O)c(C=O)c2)c1 70461640 GQQDDYJENAEZBQ-WUKNDPDISA-N 254.289 4.237 10 40 CICB CN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 252619661 LSFRFLVWCKLQTO-UHFFFAOYSA-N 270.292 4.076 10 40 CICB Nc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 11804886 PXPDUICWSVIDKK-UHFFFAOYSA-N 254.116 4.368 10 40 CICB Cc1cc2c(n1Cc1ccccc1)C(=O)c1ccccc1-2 478543 NXWJEUAAWVKWRQ-UHFFFAOYSA-N 273.335 4.056 10 40 CICB Cc1ccc(C)n1-c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 12527594 HPWHFVFWQYDBOW-MRXNPFEDSA-N 294.398 4.389 10 40 CICB Cc1cc2nc(-c3ccc(N(C)C)cc3)oc2cc1C 216878690 KQQJPEVTZUVOHI-UHFFFAOYSA-N 266.344 4.178 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1 266615 DOIPGDQKDWPXKC-UHFFFAOYSA-N 278.311 4.361 10 40 CICB CCN(CC)c1ccc(/N=N/c2nccs2)cc1 5139447 CPQZFVALGRYOJM-FOCLMDBBSA-N 260.366 4.405 10 40 CICB Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 6793016 LEQIIDZNYDYEOA-FPCVCCKLSA-N 263.384 4.148 10 40 CICB Cc1ccc(C)c(C2=C/C(=C\c3ccccc3)C(=O)O2)c1 205890447 PBVQJBSTMGHFEA-LFIBNONCSA-N 276.335 4.285 10 40 CICB COc1cccc(C2Nc3cccc4cccc(c34)N2)c1O 405722 DWZZNCGUVUHLRM-UHFFFAOYSA-N 292.338 4.090 10 40 CICB COc1ccc(NCc2c(O)ccc3ccccc23)cc1 1679484 IBZVGAKJSAZIAB-UHFFFAOYSA-N 279.339 4.166 10 40 CICB in-vitro CCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@H]2C 260725566 YELPMKMWDOHSNW-GFCCVEGCSA-N 278.415 4.047 10 40 CICB Cc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)o1 228929917 ULFDXSMVGNNDSM-UHFFFAOYSA-N 280.371 4.420 10 40 CICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 4320366 AFUQGUYCNGJYNT-OWCBBSPXSA-N 295.382 4.195 10 40 CICB COc1ccc(-c2ccc(C)n2-c2ccccc2)cc1 199745384 LGKBTOHKYDCMPK-UHFFFAOYSA-N 263.340 4.461 10 40 CICB CCCCCN1C(=O)/C(=C/[C@H]2CC=CCC2)SC1=S 2666839 HVLIVSQAZKJDFN-KLDSGFLGSA-N 295.473 4.277 10 40 CICB Cc1cccc(/N=N\c2ccc(O)c(CN(C)C)c2)c1 104312702 IMYQWHPBWMROPD-ZCXUNETKSA-N 269.348 4.178 10 40 CICB Cc1ccc(C)c(/N=N/c2ccc(O)c(C(=O)O)c2)c1 70461633 XFXDZLDGWDXMLY-WUKNDPDISA-N 270.288 4.123 10 40 CICB Cc1ccc2c(ccc3c[n+]4ccccc4c(C)c32)c1 1609552 JJBGLDZWNLPQSL-UHFFFAOYSA-N 258.344 4.349 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 4245202 JZIPVNHGWYQPCA-JJRVBVJISA-N 266.319 4.047 10 40 CICB CCN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S 1601151 NZXUWSXNPWQPNT-UVTDQMKNSA-N 299.420 4.061 10 40 CICB CCN1c2ccc(CNC(C)C)cc2C(C)=CC1(C)C 223821424 OTEUKIVIJGTICA-UHFFFAOYSA-N 272.436 4.206 10 40 CICB CCCCN1c2ccc(CNC)cc2[C@H](C)CC1(C)C 260716763 FLZHFMFLXHPUBD-CQSZACIVSA-N 274.452 4.298 10 40 CICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 16160984 QJZUBOJDPHVSPN-WJDWOHSUSA-N 296.757 4.146 10 40 CICB CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(O)c1 1665031 KWYPVFQNTRXTSH-CVEARBPZSA-N 286.371 4.491 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 5931006 HJDMPOPCMPKYDN-UHFFFAOYSA-N 278.311 4.361 10 40 CICB O=C1c2ccccc2C(=O)c2c1oc1ccc3ccccc3c21 1673116 VYZMRDGGVIOWCY-UHFFFAOYSA-N 298.297 4.361 10 40 CICB CCOc1cccc(CNc2ccc(Cl)cc2C)c1O 21816963 HBLAWOPXBOABOA-UHFFFAOYSA-N 291.778 4.365 10 40 CICB CC(=O)N(C(C)=O)c1ccc(/N=N\c2ccccc2)cc1C 104050754 LABVODJOASGFMJ-HNENSFHCSA-N 295.342 4.310 10 40 CICB [N-]=[N+]=NCc1cc2ccc(Cl)cc2nc1Cl 685936948 DFWRNSPCVAOGKL-UHFFFAOYSA-N 253.092 4.352 10 40 CICB Cc1cc(C)c2c(Nc3ccc(N)cc3)ccnc2c1 64875345 BSAHRAXIBZQZCD-UHFFFAOYSA-N 263.344 4.177 10 40 CICB Oc1ccc2ccccc2c1CN1CCc2sccc2C1 14309325 HHWGGPOGGMRTJL-UHFFFAOYSA-N 295.407 4.165 10 40 CICB CN(C)[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 25497004 SOHOMVZGRJOXDG-IBGZPJMESA-N 277.367 4.196 10 40 CICB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 4623297 SECYMZWHUFZRKC-PEBVRCNWSA-N 284.309 4.186 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@H](C)c1ccccc1 96193371 WQWIYLYTHIHFQS-RVAQLADHSA-N 290.366 4.139 10 40 CICB Oc1c(-c2ncc(-c3ccccc3)o2)sc2ncccc12 12522418 SWKKQLRGFZDENH-UHFFFAOYSA-N 294.335 4.324 10 40 CICB Fc1ccc(C(=S)SCc2ccccc2)cc1 71256984 QGFPQZFAGJCQRB-UHFFFAOYSA-N 262.374 4.435 10 40 CICB COc1cc(/N=N/c2cccc(Cl)c2)cc(C=O)c1O 70461991 ZABVQHORUQJLTC-WUKNDPDISA-N 290.706 4.282 10 40 CICB COc1ccc(NCc2cc(Cl)ccc2O)cc1Cl 19903568 ZARYCADWVLCWSN-UHFFFAOYSA-N 298.169 4.320 10 40 CICB COc1cc(/N=N/c2cc(C)cc(C)c2)cc(C=O)c1O 70461671 IRLNBCWYHUUTCR-ISLYRVAYSA-N 284.315 4.246 10 40 CICB Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1 100987659 QNSMVLOQZAGVIA-VHEBQXMUSA-N 277.331 4.178 10 40 CICB C=C(c1ccccc1)c1cc2c3c(c1)CCCN3CCC2 3145527 LXJZSXFEZJJWPA-UHFFFAOYSA-N 275.395 4.447 10 40 CICB CN(C)c1ccc(/C=C/c2ccnc3c(N)cccc23)cc1 6375063 BILPQRQRHKEIKF-RMKNXTFCSA-N 289.382 4.053 10 40 CICB CC(=O)Nc1ccc(/N=N/c2ccc(F)cc2)cc1 5601757 SODPXNJOVANOQK-ISLYRVAYSA-N 257.268 4.200 10 40 CICB CC(=O)Nc1ccc(/N=N/c2ccc(NC(C)=O)cc2)cc1 18117924 JLFZFBSUNFGETA-FMQUCBEESA-N 296.330 4.019 10 40 CICB in-vitro CCOC(=O)[C@@H](C(C)C)n1c(C)ccc1-c1ccccc1 95951458 CUJYYEXFWZDANQ-QGZVFWFLSA-N 285.387 4.224 10 40 CICB COc1ccc(N/C=C/C(=S)c2ccccc2)cc1 16216897 YLXZFNAXYTUQKL-VAWYXSNFSA-N 269.369 4.039 10 40 CICB CCn1c(NC(=O)Nc2ccc(C)cc2)nc2ccccc21 28226213 YTJMDYKQSFJRRQ-UHFFFAOYSA-N 294.358 4.009 10 40 CICB O=C(O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 4140505 UOJZJSJJYHNEDI-LESCRADOSA-N 291.350 4.211 10 40 CICB CCNC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 46705294 BJDWCVWKYQOOSH-VHEBQXMUSA-N 268.320 4.243 10 40 CICB O=Cc1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 226031798 CYCSUOZNSNIJAY-UHFFFAOYSA-N 299.757 4.186 10 40 CICB Oc1ccc2ccccc2c1CN1CCc2ccccc21 1460895 MBZGHFQCPPKJFC-UHFFFAOYSA-N 275.351 4.108 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 4004309 NJZHEQOUHLZCOX-HEHGZKQESA-N 284.309 4.186 10 40 CICB COc1ccc(/N=N/c2c(N)noc2-c2ccccc2)cc1 5513517 WDXKXHGQWNOULL-VHEBQXMUSA-N 294.314 4.348 10 40 CICB Cc1nn(C(=S)S)c(C)c1/N=N\c1ccc(F)cc1 104225376 AINFWWKWNQZXTQ-PFONDFGASA-N 294.380 4.117 10 40 CICB CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@@H]2C 223787792 NSTHGEFVEQWPOE-ZDUSSCGKSA-N 292.442 4.437 10 40 CICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCO1 4155639 COVHDFZMWABZJJ-ZBBYCGENSA-N 295.342 4.220 10 40 CICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 101839664 LKCVPAJAXLUURH-RKVPGOIHSA-N 291.350 4.211 10 40 CICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(C)cc1 13566861 PMOGVLJJRLLTLS-PDGQHHTCSA-N 290.366 4.110 10 40 CICB Nc1c(F)c(F)c(/N=N\c2ccccc2)c(F)c1F 17426997 WPFCVSNSFWZDNH-HNENSFHCSA-N 269.201 4.241 10 40 CICB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccccc1 105063 MXEGDHFMUSGPKT-UVTDQMKNSA-N 282.726 4.321 10 40 CICB Cc1ccc(C)n1-c1ccc(C(=O)N2CCCCCC2)cc1 4109186 YXYYGMNDAREXMT-UHFFFAOYSA-N 296.414 4.110 10 40 CICB Cc1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1 19238211 VRFLTTSKGURQKS-UHFFFAOYSA-N 283.158 4.015 10 40 CICB Cc1c2cc(Cl)cc(Cl)c2c[n+]2ccccc12 1730434 IBLVJBXJPLLTAM-UHFFFAOYSA-N 263.147 4.194 10 40 CICB Cc1[nH]c(=N)sc1/N=N\c1ccccc1Br 104128597 KBPPJJJWOGWJHT-PFONDFGASA-N 297.181 4.042 10 40 CICB Cc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1 484848 QNCRYZXSAWKLJN-LFIBNONCSA-N 293.391 4.365 10 40 CICB Cc1cc(C)c2c(Oc3ccc(N)cc3)ccnc2c1 64875280 WKVFUHCRYLTIRZ-UHFFFAOYSA-N 264.328 4.226 10 40 CICB c1ccc(/N=N\C2=NN(c3ccccc3)CS2)cc1 102864857 DVUDRXYYMWNTSA-NXVVXOECSA-N 268.345 4.252 10 40 CICB CN(C)/C=C1\Sc2ccccc2N=C1c1ccccc1 19819376 MRFBCIBDNZOVDD-VBKFSLOCSA-N 280.396 4.316 10 40 CICB CSc1cccc(NCc2cc(Cl)ccc2O)c1 19900625 GUVQWPSCICFUCO-UHFFFAOYSA-N 279.792 4.380 10 40 CICB Cc1ccc(C(C)(C)C)c(O)c1CNC1CCCCC1 1760428 GDPWCSIEKMFLKH-UHFFFAOYSA-N 275.436 4.420 10 40 CICB COc1cccc(-n2c(C)ccc2-c2ccccc2OC)c1 199732638 DEZDWQYATJFMBZ-UHFFFAOYSA-N 293.366 4.470 10 40 CICB Cc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 409332626 LEQIIDZNYDYEOA-GEEKYZPCSA-N 263.384 4.148 10 40 CICB CCOc1cccc(CNc2cccc3c2CCCC3)c1O 20826662 IGTWIPORAGLNPV-UHFFFAOYSA-N 297.398 4.282 10 40 CICB CCNCc1cc2c(cc1C)N(CC)C(C)(C)C[C@H]2C 260719682 LRERWRIIWYMZRF-CQSZACIVSA-N 274.452 4.217 10 40 CICB O=C1Nc2cc(Cl)ccc2/C1=C\c1c[nH]c2ccccc12 573465 FHCRUBLGAKVUCR-VGOFMYFVSA-N 294.741 4.314 10 40 CICB [N-]=[N+]=NCc1cc2c(Cl)cccc2nc1Cl 685936966 FKCKUZKHVLEUAZ-UHFFFAOYSA-N 253.092 4.352 10 40 CICB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2N 32628476 YAKXYZZJFPDUNF-CQSZACIVSA-N 294.320 4.141 10 40 CICB in-vitro Cc1ccc(/N=N/c2c(C)nn(C(=S)S)c2C)cc1 17917357 PCIGOHGVRGRSQJ-CCEZHUSRSA-N 290.417 4.287 10 40 CICB CCCN1c2cc(C)c(CNC)cc2[C@@H](C)CC1(C)C 223782691 HSYMDXZJLHIIAA-AWEZNQCLSA-N 274.452 4.217 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1cc(Cl)cc(Cl)c1 106762 OXJNJCIZJGRXCX-UHFFFAOYSA-N 284.142 4.099 10 40 CICB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCCC2=O 3193534 AKKHAWKRXWNILC-UHFFFAOYSA-N 293.288 4.324 10 40 CICB Cc1nc(N)nc(C)c1/N=N\c1cc(Cl)cc(Cl)c1 100354921 ORYLJRXIVDETDW-HNENSFHCSA-N 296.161 4.398 10 40 CICB CCCCN1c2cc(OC)c(CN)cc2[C@@H](C)CC1(C)C 223781887 UFNJSRGNBPTDLZ-ZDUSSCGKSA-N 290.451 4.046 10 40 CICB Cc1cc(O)c(CN2CCC[C@H]2c2ccccc2)cc1C 12813379 ROEIPYITNCLZJT-SFHVURJKSA-N 281.399 4.346 10 40 CICB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)C1CC1 104164488 ZSGGQNJXDAPGOP-HNENSFHCSA-N 265.316 4.451 10 40 CICB CN(C)[C@H](c1ccccc1F)c1c(O)ccc2ccccc12 65336740 JNTFIELVHJRPAH-LJQANCHMSA-N 295.357 4.336 10 40 CICB CN(C)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1 103846742 NMTGSDIMWJJCNO-ZCXUNETKSA-N 268.364 4.234 10 40 CICB CCCN1CCC[C@H]1c1cccnc1-n1c(C)ccc1C 72216824 OVZNAJPYGUNALI-KRWDZBQOSA-N 283.419 4.036 10 40 CICB c1ccc(-c2ccc(/N=N/N3CCCC3)cc2)cc1 1651065 MRYPNJVMVATAJI-ISLYRVAYSA-N 251.333 4.448 10 40 CICB Cc1cc2c(cc1CNC(C)C)[C@H](C)CC(C)(C)N2C 223789076 YVUSNXZOAONHSK-CQSZACIVSA-N 274.452 4.215 10 40 CICB Cc1cc(C)c2nc(Cc3ccc(N)cc3)sc2c1 73635469 NEPBNHKNEOIMBM-UHFFFAOYSA-N 268.385 4.086 10 40 CICB CCc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 64698 VQYAVAQDGYEXQL-QGOAFFKASA-N 290.366 4.055 10 40 CICB Cc1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 573288 DOMDTHYQELCJCN-UHFFFAOYSA-N 298.367 4.273 10 40 CICB CC(=O)N(Cc1c(O)ccc2ccccc12)C1CCCCC1 1679490 DEWBRBKCRKZUPK-UHFFFAOYSA-N 297.398 4.227 10 40 CICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCO1 4155637 COVHDFZMWABZJJ-QBNCKDSPSA-N 295.342 4.220 10 40 CICB CCN1C(=O)/C(=C/c2c[nH]c3ccccc23)c2ccccc21 6953637 CDSCPVJLIYTTNQ-LFIBNONCSA-N 288.350 4.075 10 40 CICB CCNCc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 223673594 SBBBHYBXYKHYEZ-UHFFFAOYSA-N 276.811 4.165 10 40 CICB Cc1cc(C)c2nccc(Oc3ccc(N)cc3)c2c1 64875291 BOTJUIARPXTOPZ-UHFFFAOYSA-N 264.328 4.226 10 40 CICB CC(=O)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1 102607092 AYKOZZPOOKONTQ-ZCXUNETKSA-N 267.332 4.371 10 40 CICB Cc1ccc(C(=O)C(=O)c2cccc(Cl)c2)c(Cl)c1 409204826 LGIMTSFFTLZHFP-UHFFFAOYSA-N 293.149 4.367 10 40 CICB CC(C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21 1447046 NFRZQEMCFZOKHW-UHFFFAOYSA-N 279.387 4.350 10 40 CICB Cc1nc(N)sc1/N=N/c1ccc(Br)cc1 101063746 CLMHKUIJZLOVDX-CCEZHUSRSA-N 297.181 4.212 10 40 CICB Oc1ccccc1CNC[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 217752039 RDUIUKQNFFCBDQ-HGYGSNGRSA-N 285.431 4.088 10 40 CICB O=C(/N=N\C(=O)OCc1ccccc1)OCc1ccccc1 12360038 IRJKSAIGIYODAN-ZCXUNETKSA-N 298.298 4.112 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1ccc(Cl)c(Cl)c1 19949389 QASDICFHHSZAOM-UHFFFAOYSA-N 284.142 4.099 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1cc(Cl)ccc1Cl 40162403 XPTUDLUPEATSEJ-UHFFFAOYSA-N 284.142 4.099 10 40 CICB [N-]=[N+]=NCc1cc2cccc(Cl)c2nc1Cl 200875051 HSQRPNAXMQLPLN-UHFFFAOYSA-N 253.092 4.352 10 40 CICB NC(=O)c1cc2ccccc2c(/N=N/c2ccccc2)c1O 17299591 KRDQHAPHILKHGU-FMQUCBEESA-N 291.310 4.060 10 40 CICB COc1cccc(-c2ccc(C)n2-c2cccc(OC)c2)c1 228922767 IHQNGCPLLXCTJW-UHFFFAOYSA-N 293.366 4.470 10 40 CICB Cc1ccc(C)c(-n2c(C)cc(CNCC(C)C)c2C)c1 223667535 DMLBSECHADVEJZ-UHFFFAOYSA-N 284.447 4.457 10 40 CICB CCC1(c2ccc(C)cc2C)C(=O)c2ccccc2C1=O 408732896 AJNOAWWCQBQVJC-UHFFFAOYSA-N 278.351 4.030 10 40 CICB CCN(CC)c1ccc(-c2nc3cc(N)cc(C)c3o2)cc1 226268882 UPOJJGSUNHTBDL-UHFFFAOYSA-N 295.386 4.232 10 40 CICB CCOC(=O)CCCC[C@@H](C)/N=N/c1ccccc1 18044898 VGLBMZUUDLOYBZ-PHODEOQFSA-N 262.353 4.282 10 40 CICB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 4959393 FBKCRWSTGRHOGI-DAYGRLMNSA-N 292.338 4.421 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1cccc(Cl)c1Cl 21952103 IIWRMWMCQVAZKZ-UHFFFAOYSA-N 284.142 4.099 10 40 CICB Cc1ccc(NCc2cc(Cl)ccc2O)c(F)c1 20371704 FUEORLJVMNBUTR-UHFFFAOYSA-N 265.715 4.105 10 40 CICB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 58929291 QJIVRVQJJOTRKJ-JKIFEVAISA-N 292.338 4.421 10 40 CICB CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@H]2C 260722318 NSTHGEFVEQWPOE-CYBMUJFWSA-N 292.442 4.437 10 40 CICB Clc1ncccc1/N=N/c1cccnc1Cl 3896760 GNMPNQVFFCZPCY-FOCLMDBBSA-N 253.092 4.199 10 40 CICB O=C1OC(c2cccs2)=C/C1=C\c1cccc(Cl)c1 409053280 NYQDBOAPYLLWMI-YRNVUSSQSA-N 288.755 4.383 10 40 CICB Cc1ccc(C2=NC(=O)/C(=C/c3sccc3C)S2)cc1 199341 WCPJLSBBULSLPN-ZROIWOOFSA-N 299.420 4.426 10 40 CICB CCCN1CCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1 72216764 JYJOGUAZKGSRJC-KRWDZBQOSA-N 283.419 4.036 10 40 CICB Cc1cc(/N=N/c2ccccc2C(=O)O)cc(C)c1O 5067020 ZMDQWZFZPGJFPM-WUKNDPDISA-N 270.288 4.123 10 40 CICB in-vivo Cc1ccc(C)n1-c1ccc([C@H]2CCCN2CC(C)C)cn1 72216766 ZXACEGBNZJHHJI-GOSISDBHSA-N 297.446 4.282 10 40 CICB CC(C)N1c2cc(Cl)c(CN)cc2[C@H](C)CC1(C)C 260722420 OMRUNXYHDVRONY-LLVKDONJSA-N 280.843 4.299 10 40 CICB CCOC(=O)C1=C(c2ccccc2)Nc2ccccc2S1 506061 LXJQLFLAKRJNEC-UHFFFAOYSA-N 297.379 4.136 10 40 CICB Cc1cc(/N=N/c2ccc(Cl)cc2)cc(C(=O)O)c1O 70461941 CMHQGIGKLOOXJC-WUKNDPDISA-N 290.706 4.468 10 40 CICB O=Cc1ccc(CCc2ccccc2)n1Cc1ccccc1 226028846 VELKFLIEOIUTOJ-UHFFFAOYSA-N 289.378 4.134 10 40 CICB CN(C)/N=N\c1ccc(-c2ccc(/N=N/N(C)C)cc2)cc1 100374423 DUDMFDHEPISMOC-YAFCTCPESA-N 296.378 4.474 10 40 CICB Cc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 409332635 LEQIIDZNYDYEOA-QKPAOTATSA-N 263.384 4.148 10 40 CICB COc1cccc(-c2ccc(C)n2-c2ccccc2)c1 199744502 LXRPXYTZCGNRHV-UHFFFAOYSA-N 263.340 4.461 10 40 CICB Cc1nn(-c2ccccc2)c(O)c1/N=N/c1ccccc1 12413045 LDRYLXKRVIIKCR-ISLYRVAYSA-N 278.315 4.302 10 40 CICB CC(C)CC[n+]1ccccc1C=Cc1ccc(N(C)C)cc1 4133086 ZHDVXQGSDBZJAD-UHFFFAOYSA-N 295.450 4.257 10 40 CICB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)c2ccccc21 555211 CDSCPVJLIYTTNQ-WJDWOHSUSA-N 288.350 4.075 10 40 CICB Cc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 15018456 QNCRYZXSAWKLJN-WJDWOHSUSA-N 293.391 4.365 10 40 CICB COC(=O)c1cc(C)n(-c2cccc3ccccc23)c1C 223717243 YXTJOYWEXPQLAZ-UHFFFAOYSA-N 279.339 4.034 10 40 CICB [N-]=[N+]=NCc1cc2cc(Cl)ccc2nc1Cl 685936848 ATBQVHJKJZIBBM-UHFFFAOYSA-N 253.092 4.352 10 40 CICB CC1=CC(C)(C)N(C)c2cc(Cl)c(CNC(C)C)cc21 223822118 FLHAIYSTCFOCPM-UHFFFAOYSA-N 292.854 4.470 10 40 CICB CCCN1c2cc(C)c(CNC)cc2[C@H](C)CC1(C)C 260717003 HSYMDXZJLHIIAA-CQSZACIVSA-N 274.452 4.217 10 40 CICB CN(C)c1ccc2nc3c(ccc4ccccc43)nc2c1 38604990 JWRCNGVROMSZIS-UHFFFAOYSA-N 273.339 4.002 10 40 CICB Cc1cc([N+](=O)[O-])ccc1/N=N\c1ccc(N(C)C)cc1 104260553 DYNKAMATEYRTRR-MSUUIHNZSA-N 284.319 4.385 10 40 CICB Cc1cccc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)c1 5730688 XZSAFMMIYZLHHL-VHEBQXMUSA-N 279.299 4.106 10 40 CICB CN(C)/N=N/c1ccc(-c2ccc(/N=N/N(C)C)cc2)cc1 16892266 DUDMFDHEPISMOC-XPWSMXQVSA-N 296.378 4.474 10 40 CICB Cc1ccc(-c2cc3c(o2)C(=O)c2ccccc2C3=O)cc1 478509 BSLQCUXBTYPZCK-UHFFFAOYSA-N 288.302 4.030 10 40 CICB Oc1cc2c(cc1CN1CCC[C@@H]1c1ccccc1)CCC2 32888330 PXWACRVWQWYTPQ-LJQANCHMSA-N 293.410 4.218 10 40 CICB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1CC(C)C 72216825 ABPNFZMJQUSJCC-SFHVURJKSA-N 297.446 4.282 10 40 CICB C[N@@+]1(CCc2ccccc2)SC(=S)C2=C1CCCC2 254742189 LWZSJDGNYSFXJL-KRWDZBQOSA-N 290.477 4.493 10 40 CICB CCCCOc1ccc(/N=N/c2nc(C)c[nH]2)cc1 18194710 HFALKPHUQKCOSJ-ISLYRVAYSA-N 258.325 4.312 10 40 CICB COc1ccc(Cl)cc1NCc1cc(Cl)ccc1O 19914197 KIDOUXZIUUDWLV-UHFFFAOYSA-N 298.169 4.320 10 40 CICB CCCN1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C 72216841 SSWTXRRUBHHTDZ-SFHVURJKSA-N 297.446 4.426 10 40 CICB Cc1ccc(-n2c(C)cc(CNCC(C)C)c2C)cc1 113704325 ASQDTJWUCVUMAC-UHFFFAOYSA-N 270.420 4.148 10 40 CICB COc1cc(/N=N/c2ccc(C)cc2C)cc(C=O)c1O 70461667 LNXNYCAEQPIANS-ISLYRVAYSA-N 284.315 4.246 10 40 CICB CCNCc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 223674804 LSJUVFDONZWDKE-UHFFFAOYSA-N 296.336 4.222 10 40 CICB CCCNCc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 260725579 YHSPNJKCNATXIZ-CQSZACIVSA-N 274.452 4.217 10 40 CICB O=C(O)c1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21 4714145 IXBKINLVVQKXHR-ZQIUZPCESA-N 291.350 4.211 10 40 CICB CCOC(=O)CCCC[C@@H](C)/N=N\c1ccccc1 104103749 VGLBMZUUDLOYBZ-VLUKHXRESA-N 262.353 4.282 10 40 CICB CC(C)Cn1c(-c2ccc(N(C)C)cc2)nc2ccccc21 99273 JHMJVDVGNSYEBQ-UHFFFAOYSA-N 293.414 4.425 10 40 CICB COc1ccc(N2COc3ccc(C(C)(C)C)cc3C2)cc1 539035 ZHXSDZAOGYCQPU-UHFFFAOYSA-N 297.398 4.349 10 40 CICB CCn1c(NC(=O)Nc2cccc(C)c2)nc2ccccc21 27923454 HKNIFZZDXBUBCK-UHFFFAOYSA-N 294.358 4.009 10 40 CICB COc1ccc(OC)c(/N=N/c2cc(Cl)ccc2O)c1 4657150 DRRJTCUKSJKYFL-WUKNDPDISA-N 292.722 4.478 10 40 CICB Nc1ccc(/N=N/c2cccc(Br)c2)c(N)c1 100368809 ZSUFRRAJYQXNMT-WUKNDPDISA-N 291.152 4.029 10 40 CICB Cc1ccc2nc(-c3ccc(N(C)C)cc3)sc2c1 56936 OEOPVJYUCSQVMJ-UHFFFAOYSA-N 268.385 4.338 10 40 CICB CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(N)cc2)n1 112200 FMNZOGJPLKROCT-UHFFFAOYSA-N 271.408 4.050 10 40 CICB O=C(O)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 4140504 UOJZJSJJYHNEDI-HFTRVMKXSA-N 291.350 4.211 10 40 CICB COc1ccc(C(=S)SCc2ccccc2)cc1 71256982 UUCLOHJRGXEOGH-UHFFFAOYSA-N 274.410 4.304 10 40 CICB Cc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1 297988 UZVCNRKREMGPBV-GZTJUZNOSA-N 276.335 4.285 10 40 CICB COc1cccc(-n2c(C)ccc2-c2ccoc2)c1 199760443 JRRXCOUGWMXUCI-UHFFFAOYSA-N 253.301 4.054 10 40 CICB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2C(C)C)cn1 72216761 YLKGUFBFPGXSOE-KRWDZBQOSA-N 283.419 4.034 10 40 CICB Cc1cc(F)ccc1NCc1cc(Cl)ccc1O 19961326 MYBPRVSGEHQXMP-UHFFFAOYSA-N 265.715 4.105 10 40 CICB COC(=O)c1cc(C)n(-c2ccccc2C(C)C)c1C 223708906 IJYADTADSWIOBY-UHFFFAOYSA-N 271.360 4.004 10 40 CICB Cc1ccc2oc(=O)c(C3=CC=CCC3=S)c(C)c2c1 71404987 PAVYGQNKWDQYTG-UHFFFAOYSA-N 282.364 4.123 10 40 CICB O=[N+]([O-])c1cccc(C(=S)SCc2ccccc2)c1 71256988 CZCBHLPTGRHXLO-UHFFFAOYSA-N 289.381 4.204 10 40 CICB CC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 32108842 JEUVFJVKZACHNP-UHFFFAOYSA-N 255.361 4.420 10 40 CICB Cc1ccc(C)n1-c1ccc(F)c(C(F)(F)F)c1 109685874 QEPRFHLKXPYPPJ-UHFFFAOYSA-N 257.230 4.252 10 40 CICB in-vitro CC(C)N1c2ccc(/C=C\[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223562247 JLOGMQYSIUWOPQ-YXVBKTCISA-N 288.391 4.435 10 40 CICB CCOc1cccc(CNc2ccc(Cl)cc2)c1O 19921125 BGPGYLYWZVFWBY-UHFFFAOYSA-N 277.751 4.056 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1C 70461635 LDPUQJGODFUOMC-WUKNDPDISA-N 270.288 4.123 10 40 CICB Cc1ccc(C(=O)O)cc1-n1c(C)ccc1-c1ccccc1 378435 OIGYXRNIUFONEU-UHFFFAOYSA-N 291.350 4.459 10 40 CICB c1ccc2oc(-c3ccc(-n4cccc4)cc3)nc2c1 226281056 CNXAMLPQQWXPNH-UHFFFAOYSA-N 260.296 4.286 10 40 CICB CCCN1c2cc(F)c(CNCC)cc2[C@H](C)CC1(C)C 260719781 MSPGZRDAPFULBA-CYBMUJFWSA-N 292.442 4.437 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccccc3)C(=O)O2)c(C)c1 409053734 OXDHHJIDEDMPKX-LFIBNONCSA-N 276.335 4.285 10 40 CICB CCCCNCc1cc(C)n(-c2ccc(F)cc2)c1C 223669813 BZRNZCFGOHGTIF-UHFFFAOYSA-N 274.383 4.123 10 40 CICB CCOc1cccc(CNc2ccc(SC)cc2)c1O 19906387 GMCAHVLIZGJBGH-UHFFFAOYSA-N 289.400 4.125 10 40 CICB Cc1nnc(Nc2c3ccccc3nc3ccccc23)s1 4151278 GFEFCEBHDRVGDV-UHFFFAOYSA-N 292.367 4.292 10 40 CICB CSc1ccc(NCc2cc(Cl)ccc2O)cc1 19906427 OBMIULWDQATLJK-UHFFFAOYSA-N 279.792 4.380 10 40 CICB CCOc1cccc(CNc2cc(Cl)ccc2F)c1O 35284350 AWTXFAVFEVBDAW-UHFFFAOYSA-N 295.741 4.196 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccsc3)C(=O)O2)c(C)c1 409051504 DMZGWVZVTGOWCX-RIYZIHGNSA-N 282.364 4.346 10 40 CICB CCc1cccc2c(Oc3ccc(N)cc3)ccnc12 64875301 HBSSORZOZCAQND-UHFFFAOYSA-N 264.328 4.172 10 40 CICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2)cc1 482189 WGINRZXFBHYJOE-UHFFFAOYSA-N 290.366 4.346 10 40 CICB aggregator CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 100039540 BGJYICFWALJLBY-LFIBNONCSA-N 296.757 4.146 10 40 CICB COc1ccccc1NC=C1Sc2ccccc2C1=S 2049286301 XYQGTIZNQOWIDN-UHFFFAOYSA-N 299.420 4.472 10 40 CICB CC(=O)Nc1cc(F)c(/N=N/c2ccc(F)cc2)c(F)c1 17857779 FVIPXKXZRBJLGN-FMQUCBEESA-N 293.248 4.478 10 40 CICB CCOc1ccc2nc3cc(Cl)ccc3c(N)c2c1 89157655 QFNHSWUFPJOTIR-UHFFFAOYSA-N 272.735 4.022 10 40 CICB NC(=O)c1cc2ccccc2c(/N=N\c2ccccc2)c1O 104351861 KRDQHAPHILKHGU-VXPUYCOJSA-N 291.310 4.060 10 40 CICB CCN1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C 72216839 VBBOADRTHHLYOK-KRWDZBQOSA-N 283.419 4.036 10 40 CICB Cc1cc(N(C)C)ccc1/N=N\c1ccc([N+](=O)[O-])cc1 104260536 QTEWRKZSKPOOQP-MSUUIHNZSA-N 284.319 4.385 10 40 CICB Oc1ccc(NCc2ccc(Cl)cc2Cl)cc1 359733 SDLATNUGIKDZKM-UHFFFAOYSA-N 268.143 4.311 10 40 CICB CC[C@@H](c1ccccc1)[C@@H](CC)c1cc(O)c(O)c(O)c1 1670146 ISDIKFNVTHSTFC-GJZGRUSLSA-N 286.371 4.491 10 40 CICB C[C@H](NCc1ccccc1O)c1ccc2c(c1)CCCC2 37071137 UPEMUWUFMHITKD-AWEZNQCLSA-N 281.399 4.122 10 40 CICB O=Cc1cc(/N=N/c2ccccc2Cl)ccc1O 96068548 ZPOXHEZPUFKFGC-FOCLMDBBSA-N 260.680 4.274 10 40 CICB OCc1ccc(CC2CCCCC2)n1Cc1ccccc1 226024236 FFVIJTRUFVJHTI-UHFFFAOYSA-N 283.415 4.152 10 40 CICB CCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C=C2C 223800035 GNZHRBUBZYTOJP-UHFFFAOYSA-N 292.854 4.471 10 40 CICB c1ccc2c(c1)Oc1ccccc1N2CCN1CCCCC1 1690550 SSCREFVQOIMQOG-UHFFFAOYSA-N 294.398 4.416 10 40 CICB Clc1ccc(/N=N\N2CCc3ccccc3C2)cc1 104203415 VHZKZQWWLYOACE-ZCXUNETKSA-N 271.751 4.397 10 40 CICB CCCCN1c2ccc(CN)cc2[C@H](C)CC1(C)C 260719571 JDKFKAUIULFRFP-CYBMUJFWSA-N 260.425 4.038 10 40 CICB Cc1ccc(C2=C/C(=C/c3ccsc3)C(=O)O2)cc1 465204 HKMONBKTXAPMPO-ZSOIEALJSA-N 268.337 4.038 10 40 CICB Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O 1679634 DVMJYVSFWOSELO-UHFFFAOYSA-N 275.436 4.420 10 40 CICB in-vitro CNc1ccc(Cl)cc1C(=O)c1ccccc1Cl 2037135 DQYHYPVCQHTLRO-UHFFFAOYSA-N 280.154 4.266 10 40 CICB CCCN1c2cc(Cl)c(CN)cc2C(C)=CC1(C)C 223796072 AAQRBRQRNTZZJE-UHFFFAOYSA-N 278.827 4.211 10 40 CICB CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(O)c1 1665033 KWYPVFQNTRXTSH-HZPDHXFCSA-N 286.371 4.491 10 40 CICB CCCCNCc1cc(C)n(-c2ccccc2F)c1C 223669220 GUCDNFRQCQSGKI-UHFFFAOYSA-N 274.383 4.123 10 40 CICB CNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C 223797698 ISGCXOMUUBDERO-UHFFFAOYSA-N 272.436 4.125 10 40 CICB Cc1cccc(/N=N/c2ccc(O)c(CN(C)C)c2)c1 6005897 IMYQWHPBWMROPD-ISLYRVAYSA-N 269.348 4.178 10 40 CICB c1csc(-c2nc(CSc3nccs3)co2)c1 64660634 DPOGPWYQRLWSQT-UHFFFAOYSA-N 280.399 4.152 10 40 CICB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 5740514 IMTCCZAHBJQYEP-VKJFTORMSA-N 262.356 4.217 10 40 CICB Nc1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F 100427235 WPFCVSNSFWZDNH-VHEBQXMUSA-N 269.201 4.241 10 40 CICB CNCc1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1O 1679792 ZRTZLJLQCDBSRR-UHFFFAOYSA-N 263.425 4.015 10 40 CICB O=C1c2ccccc2C(=O)C1Cc1cccc2ccccc12 100364461 HFISYPBYRIFGBQ-UHFFFAOYSA-N 286.330 4.078 10 40 CICB CN(C)c1ccc(/C=C\c2ccnc3c(N)cccc23)cc1 17062661 BILPQRQRHKEIKF-TWGQIWQCSA-N 289.382 4.053 10 40 CICB Cc1ccc(C(=O)C(=O)c2ccc(C)cc2Cl)cc1 8372046 NUDJEHPETXWBDN-UHFFFAOYSA-N 272.731 4.022 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(Cl)c1 58854588 KCHTXCJLFQPALD-LFIBNONCSA-N 296.757 4.146 10 40 CICB COc1cccc(CNc2ccccc2C(F)(F)F)c1O 19905208 IAYSLBWIIJZBMB-UHFFFAOYSA-N 297.276 4.032 10 40 CICB Oc1ccc(Cl)cc1CNc1ccc(F)cc1Cl 20594967 SUNGKMWYPQZGFT-UHFFFAOYSA-N 286.133 4.450 10 40 CICB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C\[N+](=O)[O-])cc21 223491008 DRLODCOQTYQCIT-HJWRWDBZSA-N 286.375 4.344 10 40 CICB Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 8703691 PCCONUXWVWJYBO-UHFFFAOYSA-N 268.143 4.155 10 40 CICB CCc1ccc(/N=N\c2ccc(C(=O)O)cc2)cc1 100278239 YYXIZUNZQXHJHF-MSUUIHNZSA-N 254.289 4.363 10 40 CICB COc1cccc(-n2c(C)ccc2-c2ccccc2)c1 2022456 WPKJGSOWEDMETP-UHFFFAOYSA-N 263.340 4.461 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 13119811 NBPIVZCAUUWNER-AGJFMPELSA-N 288.350 4.049 10 40 CICB CCCCN1c2cc(F)c(CN)cc2C(C)=CC1(C)C 223796582 KIYYQHJEVJKUNU-UHFFFAOYSA-N 276.399 4.086 10 40 CICB CCOc1cccc(CNc2cccc(C)c2C)c1O 19964275 NCWPSHUKTJKDRY-UHFFFAOYSA-N 271.360 4.020 10 40 CICB CC(C)c1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1 83394 WSVWGTBOVTZBQL-YVLHZVERSA-N 291.350 4.186 10 40 CICB CC(=O)c1cccc(-n2c(C)cc3c2CC(C)(C)CC3=O)c1 2512807 OWCQIMLXOAWKNF-UHFFFAOYSA-N 295.382 4.143 10 40 CICB Oc1ccc(Cl)cc1CNc1ccccc1Cl 19942688 RFUFBBMZAXGWAJ-UHFFFAOYSA-N 268.143 4.311 10 40 CICB CCCCN1c2ccc(CNC)cc2C(C)=CC1(C)C 223797394 VUENLBDZXREJFQ-UHFFFAOYSA-N 272.436 4.208 10 40 CICB Cc1ccc(/N=N/N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 4468882 QAEURDUQZMGCNP-HCLSZDIOSA-N 283.375 4.048 10 40 CICB Cc1ccc(NCc2cc(Cl)ccc2O)cc1F 19956064 PTLJXZJCXNUQAZ-UHFFFAOYSA-N 265.715 4.105 10 40 CICB CC(C)N1c2ccc(/C=C\[N+](=O)[O-])cc2[C@H](C)CC1(C)C 260565669 JLOGMQYSIUWOPQ-LJTDUEICSA-N 288.391 4.435 10 40 CICB CCCNCc1cc(C)n(-c2cccc(Cl)c2)c1C 223670897 XIXPVDLKKBUVNQ-UHFFFAOYSA-N 276.811 4.247 10 40 CICB COC(=O)c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 223703477 NXBVIKUEXGXKDS-UHFFFAOYSA-N 298.169 4.188 10 40 CICB Cc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 5588078 CUZVVKUWUQUVKK-PTNGSMBKSA-N 294.379 4.077 10 40 CICB CCOC(=O)CCCC[C@H](C)/N=N/c1ccccc1 16923015 VGLBMZUUDLOYBZ-CMTMBAJVSA-N 262.353 4.282 10 40 CICB Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@H]2C)cc1 3447816 BLDFJNCUMOKUKV-CQSZACIVSA-N 296.414 4.109 10 40 CICB Cc1ccsc1/C=C1\C=C(c2cccs2)OC1=O 409055488 YYFSZQBGGLQXKW-CSKARUKUSA-N 274.366 4.099 10 40 CICB C[N+](C)(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1 17376900 UVWCPIQCXZWCMU-VKAVYKQESA-N 262.376 4.451 10 40 CICB C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21 1481969 ZPMKQFOGINQDAM-UHFFFAOYSA-N 293.410 4.181 10 40 CICB world Oc1ccccc1CNc1cc(Cl)ccc1Cl 19900479 NSOWIEYEHDPANK-UHFFFAOYSA-N 268.143 4.311 10 40 CICB CC(=O)Nc1cc(F)c(/N=N\c2ccc(F)cc2)c(F)c1 104061363 FVIPXKXZRBJLGN-VXPUYCOJSA-N 293.248 4.478 10 40 CICB Cc1ccccc1Nc1nc(-c2ccc(O)c(O)c2)cs1 573294 GRKFTMMDBUHZLH-UHFFFAOYSA-N 298.367 4.273 10 40 CICB Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(F)cc1 108237332 BLCRFNFRXUEMKP-UHFFFAOYSA-N 295.313 4.290 10 40 CICB [N-]=[N+]=NCc1cc2ccc(Br)cc2nc1Cl 685937220 NVBNTPVAFIOBQR-UHFFFAOYSA-N 297.543 4.461 10 40 CICB Cc1cc(C)cc(NCc2cc(Cl)ccc2O)c1 19952925 SGGKBOAPFJINHS-UHFFFAOYSA-N 261.752 4.275 10 40 CICB Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O 104167689 NFYJEGQHQIAKOP-CCEZHUSRSA-N 257.249 4.024 10 40 CICB COC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 223704225 CSUYQWJTCTZOMT-UHFFFAOYSA-N 298.169 4.188 10 40 CICB Nc1ccc(Cc2nc3c(ccc4ccccc43)o2)cc1 216763539 BDYXLINWPKNDJR-UHFFFAOYSA-N 274.323 4.154 10 40 CICB CCCNCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C 260722378 OCDDGZCUVHJQDQ-GFCCVEGCSA-N 278.415 4.047 10 40 CICB CCn1cnc2cc(NCc3ccccc3Cl)ccc21 423344 DSHDKTGBGWHISF-UHFFFAOYSA-N 285.778 4.322 10 40 CICB CCN(CC)c1ccc(CN[C@H](C)c2ccccc2)cc1 6517559 GGGYOYARZQCLFS-MRXNPFEDSA-N 282.431 4.384 10 40 CICB Cc1ccc(C(=O)C(=O)c2ccccc2Cl)c(Cl)c1 409201845 QKGXGAVGLAUNGC-UHFFFAOYSA-N 293.149 4.367 10 40 CICB Cc1ccc(NCc2cc(Br)ccc2O)cc1 6912445 BEBHKMBSPJHZCO-UHFFFAOYSA-N 292.176 4.075 10 40 CICB Oc1cc2c(cc1CN1CCC[C@H]1c1ccccc1)CCC2 32888331 PXWACRVWQWYTPQ-IBGZPJMESA-N 293.410 4.218 10 40 CICB CCNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223784533 RUVVCDQJWLLTPP-AWEZNQCLSA-N 274.452 4.297 10 40 CICB CCCNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2CC 223786583 VPWBMLAMIPEBCD-CQSZACIVSA-N 274.452 4.298 10 40 CICB Oc1ccc(/N=N/c2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 18190446 DHNYBJUMWGIDCH-HTXNQAPBSA-N 299.721 4.246 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@@H](C)c1ccccc1 96193370 WQWIYLYTHIHFQS-VVTMIQRTSA-N 290.366 4.139 10 40 CICB CC[n+]1ccc(/C=C\Nc2ccccc2)c2ccccc21 100388960 QCOTZKGIQOBWFU-UHFFFAOYSA-O 275.375 4.230 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccsc3)C(=O)O2)cc1C 196811710 RNXSQPVREJHMON-OVCLIPMQSA-N 282.364 4.346 10 40 CICB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 14547179 BZBRDTBOWZHOND-GJYPPUQNSA-N 290.366 4.111 10 40 CICB Cc1cc(CNCC(C)C)c(C)n1-c1ccccc1Cl 223670490 MBONYBREHHMXJZ-UHFFFAOYSA-N 290.838 4.493 10 40 CICB O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1 16400513 DDFKSXUUOVGVRW-CCEZHUSRSA-N 277.667 4.369 10 40 CICB CCCCCOc1ccc(C(=O)Nc2ccc(N)cc2)cc1 19736560 VGVCUZFLDKPHHB-UHFFFAOYSA-N 298.386 4.090 10 40 CICB Cc1cc(N(C)C)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 4774655 QTEWRKZSKPOOQP-WUKNDPDISA-N 284.319 4.385 10 40 CICB Cc1ccc(-n2c(C)cc(CN3CCCCC3)c2C)cc1 226033192 LVFPIDNFRWOPGW-UHFFFAOYSA-N 282.431 4.388 10 40 CICB Oc1ccc2ccccc2c1/N=N\c1nccs1 100285890 IOMXCGDXEUDZAK-NXVVXOECSA-N 255.302 4.417 10 40 CICB CCCCN1c2cc(OC)c(CN)cc2[C@H](C)CC1(C)C 260725284 UFNJSRGNBPTDLZ-CYBMUJFWSA-N 290.451 4.046 10 40 CICB Cc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1 70461681 ZAZLFDYVCPCDDL-WUKNDPDISA-N 270.288 4.123 10 40 CICB NC(=S)Nc1ccc(Oc2cccc3ccccc23)cc1 216780745 UJMOMCIURPFBFS-UHFFFAOYSA-N 294.379 4.288 10 40 CICB COC(=O)c1cc(C)n(-c2ccc3ccccc3c2)c1C 223717485 ABZGNPCNJNRUAC-UHFFFAOYSA-N 279.339 4.034 10 40 CICB CCC1(c2ccc(C)c(C)c2)C(=O)c2ccccc2C1=O 408733748 PTILDOXMSUCJGC-UHFFFAOYSA-N 278.351 4.030 10 40 CICB CC(C)(C)CC(C)(C)c1ccc(O)c(C[N+](C)(C)[O-])c1 1706292 JLMGNCQHXBKNML-UHFFFAOYSA-N 279.424 4.180 10 40 CICB in-vitro CCC1(c2cccc(C)c2C)C(=O)c2ccccc2C1=O 408734302 WQKGOHBHYMQSFD-UHFFFAOYSA-N 278.351 4.030 10 40 CICB Nc1ccc(Oc2cc(C(F)(F)F)cc(Cl)n2)cc1 91696118 QGFYTVHRUSHVSZ-UHFFFAOYSA-N 288.656 4.128 10 40 CICB CCOc1cccc(CNc2ccc(C)cc2C)c1O 19877431 HUCIWMYNACRHTA-UHFFFAOYSA-N 271.360 4.020 10 40 CICB Clc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409334518 SLLARZHOJDOKBL-AAVRWANBSA-N 283.802 4.493 10 40 CICB CCOc1ccc(N=[N+]([O-])c2ccc(OCC)cc2)cc1 100242846 QUICZVHSJNKDBL-UHFFFAOYSA-N 286.331 4.410 10 40 CICB C[C@H](NCc1cc(Cl)ccc1O)c1ccc(F)cc1 20095671 PIHGYVRGQHZVKF-JTQLQIEISA-N 279.742 4.036 10 40 CICB Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2CC(C)C)cn1 72216765 ZXACEGBNZJHHJI-SFHVURJKSA-N 297.446 4.282 10 40 CICB Cc1nc(N)sc1/N=N/c1ccccc1Br 16953677 KBPPJJJWOGWJHT-CCEZHUSRSA-N 297.181 4.212 10 40 CICB CCCn1cc2c3c(cccc31)[C@H]1C[C@H](C)CN(C)[C@@H]1C2 33653502 CCERKVUKEIGSPP-FDQGKXFDSA-N 282.431 4.031 10 40 CICB Oc1ccc(Cl)cc1CNc1ccc(Cl)cc1 19921209 JNUAWXOGKPXOSE-UHFFFAOYSA-N 268.143 4.311 10 40 CICB Nc1noc(-c2ccccc2)c1/N=N/c1ccccc1 4776423 MGWHNCOANLBDFM-ISLYRVAYSA-N 264.288 4.339 10 40 CICB Oc1c(CN2CC[C@@H]3CC[C@@H](C3)C2)ccc2ccccc12 4934824 KRSKWSDZSFLDIP-GJZGRUSLSA-N 281.399 4.167 10 40 CICB Cc1cc(/N=N/c2ccccc2C(=O)O)c(C)c(C)c1O 5053454 XVPOJLRWFQRPTI-ISLYRVAYSA-N 284.315 4.431 10 40 CICB Cc1ccc2nc(-c3ccccn3)c(NC3CCCC3)n2c1 417917 DEKOYSAXLHNHNE-UHFFFAOYSA-N 292.386 4.059 10 40 CICB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 58692720 LKCVPAJAXLUURH-IIDMSEBBSA-N 291.350 4.211 10 40 CICB COc1cc(/N=N/c2ccccc2Cl)cc(C=O)c1O 70461987 IBLYHABKWKSYGJ-WUKNDPDISA-N 290.706 4.282 10 40 CICB Cc1ccc(/N=N/N(C)[C@H](C)[C@H](O)c2ccccc2)cc1 1410311 QAEURDUQZMGCNP-XFBDTWKKSA-N 283.375 4.048 10 40 CICB O=[N+]([O-])c1ccccc1NCc1c(O)ccc2ccccc12 4706168 VDOURRBYORUCJS-UHFFFAOYSA-N 294.310 4.066 10 40 CICB CCCn1cc2c3c(cccc31)[C@H]1C[C@@H](C)CN(C)[C@@H]1C2 5392913 CCERKVUKEIGSPP-MZMPZRCHSA-N 282.431 4.031 10 40 CICB CCOc1cccc(CNc2cc(C)ccc2C)c1O 19964616 AYSOTHYSOZGMPX-UHFFFAOYSA-N 271.360 4.020 10 40 CICB Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 19845703 KXMDOXRREFXBJN-UHFFFAOYSA-N 253.223 4.080 10 40 CICB Cc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c(C)c1 70461675 NRPYEXBFBGZCIK-ISLYRVAYSA-N 284.315 4.431 10 40 CICB CN(C)c1ccc(/N=N\c2cccc([N+](=O)[O-])c2)cc1 100015671 BISWHFCOHYEFQW-NXVVXOECSA-N 270.292 4.076 10 40 CICB O=C1c2ccccc2C(=O)c2c1cccc2-c1ccccc1 5707166 WAXMTENYNOYEBU-UHFFFAOYSA-N 284.314 4.129 10 40 CICB c1ccc(/N=N\C2=NN(c3ccccc3)CCS2)cc1 104202722 KUZGYCMGKHPLOC-MSUUIHNZSA-N 282.372 4.295 10 40 CICB CN(C)c1ccc(/C=C\c2ccnc3ccccc23)cc1N 17162403 ZPIGNYBULUNTNI-CLFYSBASSA-N 289.382 4.053 10 40 CICB COc1ccc(/N=N/N(C)/N=N/c2ccc(OC)cc2)cc1 3122891 BOOKCMGKPJDYTB-YWNVXTCZSA-N 299.334 4.333 10 40 CICB Cc1cc(N/N=N/c2cccc(Cl)c2Cl)no1 4277508 QRXXODPLPTYXBI-UHFFFAOYSA-N 271.107 4.401 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(CN(C)C)c2)cc1 6005900 SGMJQDSNLIVXDX-ISLYRVAYSA-N 269.348 4.178 10 40 CICB Cc1c(C(=O)O)cccc1-n1c(C)ccc1-c1ccccc1 8413451 ZNYATKLCMFUFEY-UHFFFAOYSA-N 291.350 4.459 10 40 CICB CCNCc1cc2c(cc1C)N(CC)C(C)(C)C[C@@H]2C 223784830 LRERWRIIWYMZRF-AWEZNQCLSA-N 274.452 4.217 10 40 CICB CN(C)c1ccc(/N=N/c2ccc(N)cc2Cl)cc1 4114008 QRZUKOYFMGBEDW-ISLYRVAYSA-N 274.755 4.404 10 40 CICB COc1cccc(CNc2ccc(C(F)(F)F)cc2)c1O 19909865 XGMZEXYHUHIUNH-UHFFFAOYSA-N 297.276 4.032 10 40 CICB Cc1ccc(C2=C/C(=C\c3cccs3)C(=O)O2)cc1 8565137 KRDAWDXKSJNIAI-UKTHLTGXSA-N 268.337 4.038 10 40 CICB O=C(O)c1cc(/N=N/c2cccc(Cl)c2)ccc1O 70461938 GYDBARFGXMDGGP-FOCLMDBBSA-N 276.679 4.159 10 40 CICB Cc1ccsc1/C=C1\C=C(c2ccccc2)OC1=O 409055143 WKWVPDWPUHHCAC-JLHYYAGUSA-N 268.337 4.038 10 40 CICB CCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C 260714469 CLSJHEYCOJSRCG-LLVKDONJSA-N 280.843 4.172 10 40 CICB CN(C)/N=N/c1c(-c2ccccc2)n[nH]c1-c1ccccc1 104127845 AVYXEAZIBZEFAE-QZQOTICOSA-N 291.358 4.304 10 40 CICB Oc1ccc(Cl)cc1CNc1cccc2cccnc12 553570 MLBCNCYGCAFPAD-UHFFFAOYSA-N 284.746 4.206 10 40 CICB CC[n+]1c(-c2ccccc2)csc1Nc1ccc(O)cc1 1466275 YNZARILPIGCNMM-UHFFFAOYSA-O 297.403 4.172 10 40 CICB Cc1ccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)o1 4832532 RURSXBCIISBJQS-DHDCSXOGSA-N 280.323 4.186 10 40 CICB CN(C)c1ccc(/C=C/c2nc3cc(Cl)ccc3[nH]2)cc1 5422974 UCCPDHNBGYTLGB-BJMVGYQFSA-N 297.789 4.453 10 40 CICB Cc1cc(CN2CCCCC2)c(C)n1-c1ccccc1 196077222 WJLFTRKKRPKCAT-UHFFFAOYSA-N 268.404 4.080 10 40 CICB Oc1ccc(Cl)cc1CNc1cnc2ccccc2c1 553490 KUVUGVOAAMTNLU-UHFFFAOYSA-N 284.746 4.206 10 40 CICB CCC1(c2cc(C)cc(C)c2C)C(=O)c2ccccc2C1=O 408733921 RTDUTUGQBUTXEW-UHFFFAOYSA-N 292.378 4.339 10 40 CICB Oc1ccccc1CNc1cccc(C(F)(F)F)c1 36397 ADIMZZZULTXUEJ-UHFFFAOYSA-N 267.250 4.023 10 40 CICB Nc1ccc(/C=C2\c3ccccc3-c3ccc(N)cc32)cc1 1580960 TXNVUQSBVIGNHO-YBFXNURJSA-N 284.362 4.420 10 40 CICB Cc1ccc(O)c(-n2c(C)ccc2-c2ccccc2)c1 1598117 SREZMUAYAQNCAQ-UHFFFAOYSA-N 263.340 4.467 10 40 CICB Cc1nc(N)nc(C)c1/N=N\c1ccc(Cl)cc1Cl 104116238 FGHVSOCUXFSNDR-HNENSFHCSA-N 296.161 4.398 10 40 CICB CNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C 260719576 JFWVNSVGTLTMDA-GFCCVEGCSA-N 278.415 4.046 10 40 CICB CCc1c2ccc3ccccc3c2c[n+]2ccccc12 1671287 CSZQBEFDBZTTQG-UHFFFAOYSA-N 258.344 4.294 10 40 CICB COc1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1 4829422 NUUBRSPCNKHXJP-CCEZHUSRSA-N 257.249 4.019 10 40 CICB Oc1c(-c2nc3ccccc3s2)sc2ncccc12 6550298 OXPNJCNTIMDGIX-UHFFFAOYSA-N 284.365 4.279 10 40 CICB CCN1c2ccc(/C=C\[N+](=O)[O-])cc2[C@H](C)CC1(C)C 208309396 NFDUGPUNWCRVEF-JLVNDZCYSA-N 274.364 4.046 10 40 CICB Cc1cc2ccccn2c1C(=S)Nc1ccccc1 4063921 YQAMBEPYMRLAQC-UHFFFAOYSA-N 266.369 4.035 10 40 CICB CC(C)(C)c1ccc(O)c(CNC2CCCCC2)c1 338814 JTVHIQJYLQMKRA-UHFFFAOYSA-N 261.409 4.112 10 40 CICB CC(=O)c1ccc(/N=N/c2ccc(N3CC3)cc2)cc1 4774709 JLSLKHKGJCVYCB-ISLYRVAYSA-N 265.316 4.125 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccc(F)cc3)C(=O)O2)cc1C 409051407 LYKYOBBBRVHIBM-MHWRWJLKSA-N 294.325 4.424 10 40 CICB CCN1c2ccccc2Oc2cc(C(C)=O)ccc21 26460946 JVRDQVVNLFQGFE-UHFFFAOYSA-N 253.301 4.153 10 40 CICB Cc1cc(C=O)c(C)n1-c1ccc(N2CCCCCC2)cc1 8701901 KAOKFEUPQPAONB-UHFFFAOYSA-N 296.414 4.287 10 40 CICB Cn1cccc1/N=N/c1ccccc1C(F)(F)F 18192844 RNPPZDFKJKECAF-WUKNDPDISA-N 253.227 4.459 10 40 CICB Cc1ccc2nc3nc4c(C)cccc4c(N)c3cc2c1 19096808 GZONZEUVQKWERU-UHFFFAOYSA-N 273.339 4.135 10 40 CICB Nc1ccc(/N=N/c2cccc3ccccc23)c(N)c1 4506104 AHWMWMNEYBHQNL-FMQUCBEESA-N 262.316 4.420 10 40 CICB in-vitro O=C1c2ccccc2C(=O)[C@@H]2CC(c3ccccc3)=CC[C@@H]12 100488015 GRMBYWZIMSNRJK-QZTJIDSGSA-N 288.346 4.175 10 40 CICB Oc1c(Cl)c2nc3ccccc3nc2c2ccccc12 4381858 INZHZZRXZVJZJE-UHFFFAOYSA-N 280.714 4.295 10 40 CICB O=C1Nc2cc(Cl)ccc2/C1=C/c1c[nH]c2ccccc12 573466 FHCRUBLGAKVUCR-AUWJEWJLSA-N 294.741 4.314 10 40 CICB biogenic CCCCN1c2cc(C)c(CN)cc2C(C)=CC1(C)C 223795864 RKJOJJQGWNSDEU-UHFFFAOYSA-N 272.436 4.256 10 40 CICB Cc1cccc(/C=C2/SC(Nc3ccccc3)=NC2=O)c1 1515453 KCRLFRKJWCZDPK-RVDMUPIBSA-N 294.379 4.077 10 40 CICB Cc1cc(O)c(CN2CCC(C)CC2)cc1C(C)C 57395166 XQOSPHMBRMGHTE-UHFFFAOYSA-N 261.409 4.056 10 40 CICB Nc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 35407726 BULPDVFSEDCLJI-UHFFFAOYSA-N 296.157 4.220 10 40 CICB COc1cc(/N=N/c2cc(C)ccc2C)cc(C=O)c1O 70461668 GFVQWDZHHIWHFU-ISLYRVAYSA-N 284.315 4.246 10 40 CICB Cc1ccc(C)n1-c1ccc(Oc2ccccc2)c(N)c1 8702387 VCNWNBUMUKKLLW-UHFFFAOYSA-N 278.355 4.469 10 40 CICB Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 227156997 NRHZXCJGAAFRNH-UHFFFAOYSA-N 296.757 4.328 10 40 CICB Cc1ccc(C)c(C2=C/C(=C\c3ccsc3)C(=O)O2)c1 409055916 QJYJGXLUUXJQSB-RIYZIHGNSA-N 282.364 4.346 10 40 CICB Cc1cccc(Cl)c1/N=N\c1c(C)nc(N)nc1C 16930835 JPTHAMFNFPLEOX-HNENSFHCSA-N 275.743 4.053 10 40 CICB Oc1ccc(Cl)cc1CNc1cc(F)ccc1Cl 40477083 CZMBPZDRSLLMCU-UHFFFAOYSA-N 286.133 4.450 10 40 CICB FC(F)(F)c1ccccc1C(=S)c1ccccc1 228968227 NEXFQHDTPPKZNT-UHFFFAOYSA-N 266.287 4.472 10 40 CICB CCN(CC)c1ccc(N=Nc2ccncc2)cc1 255971908 FLPXBJDOCHBJCT-UHFFFAOYSA-N 254.337 4.343 10 40 CICB COC(=O)c1ccccc1N/N=N/c1ccccc1Cl 16955066 OZVOTGAYPWSKEN-UHFFFAOYSA-N 289.722 4.237 10 40 CICB CCN(CC)c1ccc(CNc2ccccc2)cc1 8701741 RYLZOVHHVORYMS-UHFFFAOYSA-N 254.377 4.145 10 40 CICB O=[N+]([O-])C1CCC(/N=N/c2c(O)ccc3ccccc23)CC1 16952147 YWPAVHNETHXVGV-ISLYRVAYSA-N 299.330 4.217 10 40 CICB Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 17992306 YDDYAYLWOGIKSV-CCEZHUSRSA-N 286.247 4.227 10 40 CICB CCCCNCc1cc(C)n(-c2ccc(C)cc2)c1C 113704323 CCKGASSSRNCRLJ-UHFFFAOYSA-N 270.420 4.292 10 40 CICB CCc1ccc(NCc2cc(Cl)ccc2O)cc1 19955417 XHQPEECAVYFPPZ-UHFFFAOYSA-N 261.752 4.220 10 40 CICB Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 140213092 JGUMYYOWOVQSTE-UHFFFAOYSA-N 278.311 4.361 10 40 CICB COc1cccc(C(=O)/N=N\c2ccc(C)cc2C)c1 575629050 PMPJECIAJJWSFQ-ZCXUNETKSA-N 268.316 4.236 10 40 CICB Cc1ccc(/N=N\c2ccc(O)c(CN(C)C)c2)cc1 104312709 SGMJQDSNLIVXDX-ZCXUNETKSA-N 269.348 4.178 10 40 CICB CCc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1 216878625 GBSOLODHNFSCMZ-UHFFFAOYSA-N 266.344 4.123 10 40 CICB CCN1c2ccc(CNC(C)C)cc2[C@H](C)CC1(C)C 260725420 VZPOBWDVOHGPJM-CQSZACIVSA-N 274.452 4.297 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 4245204 JZIPVNHGWYQPCA-ZQIUZPCESA-N 266.319 4.047 10 40 CICB Oc1ccccc1CNCC12CC3C[C@@H](CC[C@H](C3)C1)C2 100729323 JSGYFGDVUVUJIX-JYMZVQIXSA-N 285.431 4.088 10 40 CICB CC(C)NCc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C 223789969 HXNSHRXDRLEZAD-LBPRGKRZSA-N 278.415 4.046 10 40 CICB Cc1cc(Cl)ccc1/N=N/c1ccc(O)c(C(=O)O)c1 70461948 CTIJWJIUCKJOPA-WUKNDPDISA-N 290.706 4.468 10 40 CICB CCCN1c2cc(Cl)c(CN)cc2[C@@H](C)CC1(C)C 223780681 HTHKVMHHXPFWMD-NSHDSACASA-N 280.843 4.301 10 40 CICB Cc1cc(O)c(CN(C)[C@@H]2CCc3ccccc32)cc1C 29301165 CYKMSZYTXJZJFP-GOSISDBHSA-N 281.399 4.128 10 40 CICB CCCN(Cc1cccs1)c1ccc(OC)cc1 60374421 UXFKPGARPHDOMC-UHFFFAOYSA-N 261.390 4.173 10 40 CICB CCc1cccc(NCc2cc(Cl)ccc2O)c1 19962232 ADOQOGCFNAEUNL-UHFFFAOYSA-N 261.752 4.220 10 40 CICB CN(C)c1ccc(CNC(C)(C)CC(C)(C)C)cc1 6857384 UQZGGRUCRXYWMO-UHFFFAOYSA-N 262.441 4.057 10 40 CICB CNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C 223783584 JFWVNSVGTLTMDA-LBPRGKRZSA-N 278.415 4.046 10 40 CICB Cc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1 784474 USLCVYYYXXDRQT-UHFFFAOYSA-N 281.384 4.444 10 40 CICB CCCn1cc2c3c(cccc31)[C@@H]1C[C@@H](C)CN(C)[C@@H]1C2 13597814 CCERKVUKEIGSPP-RPVQJOFSSA-N 282.431 4.031 10 40 CICB Cc1ccc(C)c(C2=C/C(=C\c3ccccc3F)C(=O)O2)c1 4578329 WZFCFTPVWLBDCX-XNTDXEJSSA-N 294.325 4.424 10 40 CICB C[C@@H](NCc1cc(Cl)ccc1O)c1ccc(F)cc1 20095669 PIHGYVRGQHZVKF-SNVBAGLBSA-N 279.742 4.036 10 40 CICB Cc1ccccc1-c1nc(-c2ccc(O)c(O)c2)cs1 32514111 OCXSXMXRVRWGBL-UHFFFAOYSA-N 283.352 4.197 10 40 CICB COc1ccc(N2COc3ccc4ccccc4c3C2)cc1 123335 ZQJZEKZIAJSEHN-UHFFFAOYSA-N 291.350 4.205 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 4004331 SECYMZWHUFZRKC-NVGCLXPQSA-N 284.309 4.186 10 40 CICB Cc1cc([N+](=O)[O-])ccc1/N=N/c1ccc(N(C)C)cc1 4774657 DYNKAMATEYRTRR-WUKNDPDISA-N 284.319 4.385 10 40 CICB CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)c[nH]c12 574873 SUUXPISPTGGYRM-MHWRWJLKSA-N 288.350 4.223 10 40 CICB Oc1ccc(/N=N/c2ccc(Br)cc2)c(O)c1 18153861 JXDXGMHMDHIKCO-CCEZHUSRSA-N 293.120 4.276 10 40 CICB Cc1c(Cl)cccc1/N=N/c1ccc(O)c(CO)c1 70461974 SYPDPGXLOAAURX-WUKNDPDISA-N 276.723 4.262 10 40 CICB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 4959392 FBKCRWSTGRHOGI-HDMKZQKVSA-N 292.338 4.421 10 40 CICB Cc1cc(O)c(CN2CCC[C@@H]2c2ccccc2)cc1C 12813373 ROEIPYITNCLZJT-GOSISDBHSA-N 281.399 4.346 10 40 CICB CCCN1c2cc(F)c(CNCC)cc2C(C)=CC1(C)C 223800538 VSWBQZQOPATUGQ-UHFFFAOYSA-N 290.426 4.347 10 40 CICB Cc1cccc(/C=C/c2cn(C)c3ccc(Cl)cc23)[n+]1C 8738334 NSYPESZEXIBWEN-UHFFFAOYSA-N 297.809 4.135 10 40 CICB Nc1ccc(/C=C2/c3ccccc3-c3ccc(N)cc32)cc1 17013509 TXNVUQSBVIGNHO-ODLFYWEKSA-N 284.362 4.420 10 40 CICB O=c1ccc2cc(/N=N/c3ccccc3)ccc2o1 4109572 CNORDUGJKVSSOA-WUKNDPDISA-N 250.257 4.208 10 40 CICB CC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C 32127423 XJKXNUSPVQPDMM-UHFFFAOYSA-N 281.277 4.316 10 40 CICB CCCCN1c2ccc(CNC)cc2[C@@H](C)CC1(C)C 223782433 FLZHFMFLXHPUBD-AWEZNQCLSA-N 274.452 4.298 10 40 CICB CCCCCCNCc1ccc(N(CC)CC)cc1 6859291 QVYUNKRGDBROBF-UHFFFAOYSA-N 262.441 4.203 10 40 CICB COc1ccc(/N=N\c2ccc3oc(=O)ccc3c2)cc1 100708663 PNFIFURMQXBYIN-ZCXUNETKSA-N 280.283 4.217 10 40 CICB CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2666891 UTHZPFSJUXIUMS-QBFSEMIESA-N 291.441 4.078 10 40 CICB COc1cc(/N=N/c2ccc(C)c(C)c2)cc(C=O)c1O 70461670 WTWQHOBBLVJHAH-ISLYRVAYSA-N 284.315 4.246 10 40 CICB CCNCc1cc(C)n(-c2ccc(Cl)cc2C)c1C 223672553 UMTPRUOOKYZMDZ-UHFFFAOYSA-N 276.811 4.165 10 40 CICB CSc1ccc(CNCc2cc(Cl)ccc2O)cc1 40477041 OZYVBCCZSBMYJG-UHFFFAOYSA-N 293.819 4.057 10 40 CICB Cc1ccc2c(C)c3c(ccc4ccccc43)c[n+]2c1 1718911 XVDNFLKJFFOMHJ-UHFFFAOYSA-N 258.344 4.349 10 40 CICB COc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C 1556096 KNZRDPHESMHXID-FOWTUZBSSA-N 277.367 4.329 10 40 CICB CN(C)c1ccc(/C=C\c2ccc3ccccc3n2)cc1 4701343 YMIKUHVSRFHPOP-XFFZJAGNSA-N 274.367 4.471 10 40 CICB Cc1cc2c3c(c1C)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 6044195 RHKLXLBWXVYCKA-WCXIOVBPSA-N 277.411 4.456 10 40 CICB Oc1ccc(/N=N\c2ccc(Br)cc2)c(O)c1 102533699 JXDXGMHMDHIKCO-PFONDFGASA-N 293.120 4.276 10 40 CICB Cc1cc(=O)oc2c(/N=N/c3ccccc3)c(O)ccc12 4934942 YJZOQRLRKLAUQN-ISLYRVAYSA-N 280.283 4.222 10 40 CICB Cc1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70461680 UOPUBFAUIJNVHG-WUKNDPDISA-N 270.288 4.123 10 40 CICB O=Cc1ccc(CC2CCCCC2)n1Cc1ccccc1 226024219 IIVHVMOGXYTFJN-UHFFFAOYSA-N 281.399 4.472 10 40 CICB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cccs1 36617191 JZAXGHOYVUNYJR-NTCAYCPXSA-N 296.395 4.334 10 40 CICB CCCN1CCC[C@@H]1c1cccnc1-n1c(C)ccc1C 72216823 OVZNAJPYGUNALI-QGZVFWFLSA-N 283.419 4.036 10 40 CICB CCc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1 73740080 YRGRMPJOTWFWIL-VHEBQXMUSA-N 254.337 4.137 10 40 CICB CN(C)c1ccc(C=Cc2ccc3ccccc3n2)cc1 2049241060 YMIKUHVSRFHPOP-UHFFFAOYSA-N 274.367 4.471 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)O)cc1 266611 HBCZMEBBIJRTOC-UHFFFAOYSA-N 277.323 4.151 10 40 CICB Nc1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1 91294553 FAWGLPAQCQELSF-UHFFFAOYSA-N 288.350 4.247 10 40 CICB Cc1cccc(/C=C/c2c[nH]c3ccc(Cl)cc23)[n+]1C 8738866 WUKYZKFHDVNANW-UHFFFAOYSA-O 283.782 4.125 10 40 CICB Cc1cccc(C)c1/N=N\c1ccc(O)c(CN(C)C)c1 104312723 PBOOGLDTJWLDNA-HNENSFHCSA-N 283.375 4.486 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1cccc(C(=O)O)c1 378430 IDROEJGETCAVOO-UHFFFAOYSA-N 277.323 4.151 10 40 CICB COc1ccccc1N/C=C1\Sc2ccccc2C1=S 100720533 XYQGTIZNQOWIDN-GDNBJRDFSA-N 299.420 4.472 10 40 CICB CCCCN[C@H](Cc1ccccc1)c1ccccc1O 5973613 ZLQGXMUSHLAGBT-QGZVFWFLSA-N 269.388 4.066 10 40 CICB Cc1ccccc1/C=C1\SC(Nc2ccccc2)=NC1=O 5589899 WUUDNVKYHJWRAI-PTNGSMBKSA-N 294.379 4.077 10 40 CICB CCCCN1c2cc(F)c(CN)cc2[C@@H](C)CC1(C)C 223781333 ZRBXUMFMXXVAFJ-LBPRGKRZSA-N 278.415 4.177 10 40 CICB Cc1nn(C(=S)S)c(C)c1/N=N/c1ccc(F)cc1 18061156 AINFWWKWNQZXTQ-CCEZHUSRSA-N 294.380 4.117 10 40 CICB CC(=O)Nc1ccc(/N=N/c2cc(C)ccc2O)cc1 100048680 PXOZAFXVEWKXED-ISLYRVAYSA-N 269.304 4.074 10 40 CICB in-vitro Cc1cc(C=O)c(C)n1-c1cc(Cl)ccc1Cl 2597454 DHAJEOLBXDGTPV-UHFFFAOYSA-N 268.143 4.213 10 40 CICB CCCNCc1cc2c(cc1F)N(CC)C(C)(C)C=C2C 223802539 YNTFRKPIEUSUKM-UHFFFAOYSA-N 290.426 4.347 10 40 CICB Cc1ccc(C2=C/C(=C/c3cccs3)C(=O)O2)cc1C 200050 SVSDURHIEJHBED-ZROIWOOFSA-N 282.364 4.346 10 40 CICB CN1/C(=C/C(=S)C(C)(C)C)Sc2ccccc21 136921 QOKBRXCORWKOQS-LCYFTJDESA-N 263.431 4.486 10 40 CICB CN1CC[C@H](C=C2c3ccccc3CCc3ccccc32)C1 1842373 XGTMDFMSBGZUBR-MRXNPFEDSA-N 289.422 4.169 10 40 CICB Clc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 6547932 UFHMZCTUFNRIAE-GBOPCIDUSA-N 283.802 4.493 10 40 CICB Cc1noc(C)c1/N=N/c1ccc(Br)cc1 78506806 BXRZPJIPYRBAKC-BUHFOSPRSA-N 280.125 4.469 10 40 CICB CCCCN1c2cc(F)c(CNC)cc2[C@H](C)CC1(C)C 260714149 AZFLZKNDXRWEGS-CYBMUJFWSA-N 292.442 4.437 10 40 CICB CCCn1cc2c3c(cccc31)[C@@H]1C[C@H](C)CN(C)[C@@H]1C2 33653501 CCERKVUKEIGSPP-QANKJYHBSA-N 282.431 4.031 10 40 CICB CCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C=C2C 223800626 UBMVRVZKIABRKG-UHFFFAOYSA-N 290.426 4.346 10 40 CICB Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C(C)C)cn1 72216762 YLKGUFBFPGXSOE-QGZVFWFLSA-N 283.419 4.034 10 40 CICB CCCN1c2cc(F)c(CNC)cc2[C@H](C)CC1(C)C 260726520 YYDWXPKIBKLFHI-GFCCVEGCSA-N 278.415 4.047 10 40 CICB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccccc1O 17314811 MEYYCAJJBLPNLA-LCYFTJDESA-N 298.725 4.027 10 40 CICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4982765 LKCVPAJAXLUURH-MPGHIAIKSA-N 291.350 4.211 10 40 CICB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 59267144 SECYMZWHUFZRKC-BWACUDIHSA-N 284.309 4.186 10 40 CICB Oc1c(C2=NN[C@@H](c3cccs3)C2)ccc2ccccc12 5838560 XNSWBQYSQAMHSO-OAHLLOKOSA-N 294.379 4.046 10 40 CICB CCOc1ccccc1/N=N/c1ccc(O)c(C=O)c1 70461962 QBALMRAGZWQGEU-WUKNDPDISA-N 270.288 4.019 10 40 CICB COc1cccc(-n2c(C)ccc2-c2ccco2)c1 199760398 DXWQFXAVDFJTGQ-UHFFFAOYSA-N 253.301 4.054 10 40 CICB O=C1S/C(=C/c2ccco2)C(=S)N1c1ccccc1 5774451 JLLSFTFKMNSCJG-FMIVXFBMSA-N 287.365 4.321 10 40 CICB CCCCN1CCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1 72216767 JRBUHRDFRPTAPR-GOSISDBHSA-N 297.446 4.426 10 40 CICB CCCCN1c2ccc(CN)cc2[C@@H](C)CC1(C)C 223779816 JDKFKAUIULFRFP-ZDUSSCGKSA-N 260.425 4.038 10 40 CICB Fc1ccc(-c2nc(CSc3nccs3)co2)cc1 64669651 YVINPTWVSHXABA-UHFFFAOYSA-N 292.360 4.230 10 40 CICB Cc1cccc(C)c1[N+]([O-])=[N+]([O-])c1c(C)cccc1C 256090277 MOIONWYNTORJQI-UHFFFAOYSA-N 270.332 4.356 10 40 CICB Nc1csc(Nc2c3ccccc3nc3ccccc23)n1 5393057 OEFZAXYNBDALSQ-UHFFFAOYSA-N 292.367 4.170 10 40 CICB CCOc1cccc(CNc2ccc(C)c(C)c2)c1O 19920147 WPVHMAJHJROULO-UHFFFAOYSA-N 271.360 4.020 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1ccc(Cl)cc1Cl 19949381 FHHPKNQNAYNDTI-UHFFFAOYSA-N 284.142 4.099 10 40 CICB Cc1ccsc1/C=C1\C=C(c2ccc(F)cc2)OC1=O 409052536 UPTAGXOVHYPLHR-FMIVXFBMSA-N 286.327 4.177 10 40 CICB CCCCN1c2cc(F)c(CNC)cc2C(C)=CC1(C)C 223798614 LSDZICOVZAOPDW-UHFFFAOYSA-N 290.426 4.347 10 40 CICB CCCNCc1cc2c(cc1C)N(C)C(C)(C)C=C2C 223801598 WYUWRVWKDQFZCE-UHFFFAOYSA-N 272.436 4.126 10 40 CICB O=[N+]([O-])c1ccc(Cl)c(/N=N\c2ccccn2)c1 104117191 VCZROSUCYQOFOF-PFONDFGASA-N 262.656 4.059 10 40 CICB Nc1ccc(CSc2ccc(Br)cc2)cc1 37381435 ZHTRZAKXBXBRIV-UHFFFAOYSA-N 294.217 4.324 10 40 CICB CN(C)c1ccc(-c2nc3cnc4ccccc4c3o2)cc1 44063131 CMKBXSXDSVVVOL-UHFFFAOYSA-N 289.338 4.109 10 40 CICB COc1ccc(/N=N\N(C)/N=N/c2ccc(OC)cc2)cc1 104211201 BOOKCMGKPJDYTB-JQNBNMKOSA-N 299.334 4.333 10 40 CICB O=C(C(=O)c1ccc2c3c(cccc13)CC2)c1ccccc1 3151852 PZLHOYJDVINUSL-UHFFFAOYSA-N 286.330 4.004 10 40 CICB biogenic Cc1ccc(C)c(C2=C/C(=C\c3cccs3)C(=O)O2)c1 33295769 VDNYSDWIZPIAMS-UKTHLTGXSA-N 282.364 4.346 10 40 CICB Cc1cccc(Cl)c1/N=N/c1c(C)nc(N)nc1C 100458922 JPTHAMFNFPLEOX-VHEBQXMUSA-N 275.743 4.053 10 40 CICB CCOc1cccc(CNc2cc(C)cc(C)c2)c1O 19952768 PYKVZLKWIHXZPW-UHFFFAOYSA-N 271.360 4.020 10 40 CICB Cc1cc(C)cc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70461672 OEJKRFSRZQORIK-ISLYRVAYSA-N 284.315 4.431 10 40 CICB Cc1cc(C(=O)C(=O)c2cc(C)sc2C)c(C)s1 15085533 MVUQDCZCJGUFJH-UHFFFAOYSA-N 278.398 4.109 10 40 CICB CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1C 104050746 JQIICPHBQWYCAC-ZCXUNETKSA-N 253.305 4.369 10 40 CICB O=C(O)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21 409163780 XULBOKCAPBYSLI-WPKBUWHJSA-N 291.350 4.211 10 40 CICB Oc1ccc(/N=N/c2nc3ccccc3s2)cc1 4832911 WYRXPQUYGXJFOU-FOCLMDBBSA-N 255.302 4.417 10 40 CICB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 58850802 IHNOCXTWBCXEGK-IIYDPXPESA-N 266.319 4.047 10 40 CICB CCc1ccc(NC(=S)NNc2ccc(C)cc2C)cc1 6319608 RTXRZSQWCNLNAS-UHFFFAOYSA-N 299.443 4.179 10 40 CICB CCOc1cccc(CNc2cc(Cl)ccc2C)c1O 19875291 UTSCYADCBYUXBW-UHFFFAOYSA-N 291.778 4.365 10 40 CICB Nc1ccc(OCc2c(Cl)cccc2Cl)cc1 8703689 MNJRIOHXLNKGIL-UHFFFAOYSA-N 268.143 4.155 10 40 CICB CC/C(=C\c1ccc(N(C)C)cc1)c1ccncc1 17148793 ONNMQUCZUHOJPE-FYWRMAATSA-N 252.361 4.098 10 40 CICB O=C1c2ccccc2C(=O)C1(c1ccccc1)c1ccccc1 1697963 FEKIAHWXEOWQJO-UHFFFAOYSA-N 298.341 4.052 10 40 CICB CC[C@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccc(O)cc1 1665032 KWYPVFQNTRXTSH-JKSUJKDBSA-N 286.371 4.491 10 40 CICB CN(C)c1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1 103171086 XCZVOFABZKOOEN-FMIVXFBMSA-N 291.350 4.029 10 40 CICB Cc1ccc(/N=N/N(C)[C@@H](C)[C@@H](O)c2ccccc2)cc1 4468879 QAEURDUQZMGCNP-HIYMCMEQSA-N 283.375 4.048 10 40 CICB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2)S1 23215473 IXYJLLXRGAJINT-RVDMUPIBSA-N 294.379 4.077 10 40 CICB Cc1ccc(C2=C/C(=C\c3sccc3C)C(=O)O2)cc1 409051544 BAIBLQZIJWMHEN-GXDHUFHOSA-N 282.364 4.346 10 40 CICB CCOC(=O)c1ccc(/N=N/c2ccccc2)cc1 17158458 ZABJMLAHGWTODF-WUKNDPDISA-N 254.289 4.279 10 40 CICB CC(C)c1ccc(NCc2ccc(N(C)C)cc2)cc1 20555296 HRQJDEOSZHNOEV-UHFFFAOYSA-N 268.404 4.488 10 40 CICB CCCNCc1cc(C)n(-c2cccc(C)c2C)c1C 223666261 KXRVDYFGBMWYRG-UHFFFAOYSA-N 270.420 4.211 10 40 CICB CCCN1c2cc(Cl)c(CN)cc2[C@H](C)CC1(C)C 260717015 HTHKVMHHXPFWMD-LLVKDONJSA-N 280.843 4.301 10 40 CICB CCc1ccc(C2=C/C(=C/c3ccc(C)o3)C(=O)O2)cc1 209813 NEKHRQHJCKRDHQ-GDNBJRDFSA-N 280.323 4.132 10 40 CICB CCCNCc1cc(C)n(-c2ccccc2Cl)c1C 223670326 ZNALQCIPYFAKNZ-UHFFFAOYSA-N 276.811 4.247 10 40 CICB COc1ccccc1N/C=C1/Sc2ccccc2C1=S 100720537 XYQGTIZNQOWIDN-XNTDXEJSSA-N 299.420 4.472 10 40 CICB Cc1cc2c(nc1-c1ccccc1)-c1ccccc1C2=O 1277458 DNLMEMFMTSONBC-UHFFFAOYSA-N 271.319 4.268 10 40 CICB Cc1ccc(C(=O)C(=O)c2ccccc2C)c(Cl)c1 409206690 VTOYDVWXKMZDCV-UHFFFAOYSA-N 272.731 4.022 10 40 CICB CCOc1ccccc1NCc1cc(Cl)ccc1O 19903953 DNXBAWZHFMISJS-UHFFFAOYSA-N 277.751 4.056 10 40 CICB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 19737426 TYPNMGOVFQIUNI-HDMKZQKVSA-N 262.356 4.095 10 40 CICB Cc1cc(C)cc(/N=N/c2ccc(O)c(C=O)c2)c1 70461637 UPHMAPSMTPZIFU-WUKNDPDISA-N 254.289 4.237 10 40 CICB CCCCCN1C(=O)/C(=C/[C@@H]2CC=CCC2)SC1=S 2666837 HVLIVSQAZKJDFN-NPRUJURCSA-N 295.473 4.277 10 40 CICB Cc1cc(O)c(CN(C)[C@H]2CCc3ccccc32)cc1C 29301171 CYKMSZYTXJZJFP-SFHVURJKSA-N 281.399 4.128 10 40 CICB Cc1ccc(/N=N\c2ccc(O)cc2)c([N+](=O)[O-])c1 104081690 PABKMSHFAAKVFN-PFONDFGASA-N 257.249 4.024 10 40 CICB O=C1OC(c2ccccc2)=C/C1=C\c1cccc(Cl)c1 211622495 RASMLDDFYDKFCN-NTEUORMPSA-N 282.726 4.321 10 40 CICB Cc1ccc(C)c(C2=C/C(=C\c3ccc(C)o3)C(=O)O2)c1 8572823 JAMRQAQBGZGTQK-NTEUORMPSA-N 280.323 4.186 10 40 CICB Oc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1O 14196993 PKCQGMDNCLTNSO-UHFFFAOYSA-N 287.315 4.027 10 40 CICB Cc1ccc(F)cc1NCc1cc(Cl)ccc1O 19953587 AYRYFVITVNWGAI-UHFFFAOYSA-N 265.715 4.105 10 40 CICB Oc1ccc(/N=N/c2cccnc2Cl)c2cccnc12 12346489 QREXBXGFQJTPOI-VHEBQXMUSA-N 284.706 4.404 10 40 CICB CN(C)[C@@H](c1ccccc1F)c1c(O)ccc2ccccc12 65336738 JNTFIELVHJRPAH-IBGZPJMESA-N 295.357 4.336 10 40 CICB CCC1(c2ccc(C)c(C)c2C)C(=O)c2ccccc2C1=O 408733389 HZHJFYRSFJALAH-UHFFFAOYSA-N 292.378 4.339 10 40 CICB CN(C)/N=N/c1c(Cl)cc(Cl)cc1Cl 18066290 MMCIMUJXJHNNAU-OUKQBFOZSA-N 252.532 4.207 10 40 CICB Cc1cc2c3c(c1C)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 409334060 RHKLXLBWXVYCKA-VVLHAWIVSA-N 277.411 4.456 10 40 CICB CCCc1ccc(-n2c(C)cc(/C=C/C(=O)O)c2C)cc1 20285118 ZWLQJTNQOIAWRZ-DHZHZOJOSA-N 283.371 4.144 10 40 CICB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 4959395 FBKCRWSTGRHOGI-MPGHIAIKSA-N 292.338 4.421 10 40 CICB COc1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)cc1 104057601 CHGPHWNJICZVNY-PFONDFGASA-N 257.249 4.019 10 40 CICB CN(C)c1ccc(/N=N\c2ccc3[nH]cnc3c2)cc1 104314776 WFCWCGCKZSPYGF-HNENSFHCSA-N 265.320 4.044 10 40 CICB Cc1ccc2[nH]c(C)c(/C=C/c3cccc(C)[n+]3C)c2c1 9183995 SGECKAHNXHFFRB-UHFFFAOYSA-O 277.391 4.088 10 40 CICB COc1ccc(/N=N/c2ccccc2)c([N+](=O)[O-])c1 18155675 YBJQVMUCFZBBQQ-CCEZHUSRSA-N 257.249 4.019 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)c(C)c1 70461631 QQSXFLQOXSNCCD-WUKNDPDISA-N 270.288 4.123 10 40 CICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1sccc1C 4558265 YKUMGCPORBSQGL-XNTDXEJSSA-N 296.395 4.171 10 40 CICB O=C1OC(c2cccs2)=C/C1=C\c1ccc(Cl)cc1 409051261 BFBQOXNAIMMDNW-DHZHZOJOSA-N 288.755 4.383 10 40 CICB Cc1ccc(C)c(C2=C/C(=C/c3cccs3)C(=O)O2)c1 4832538 VDNYSDWIZPIAMS-LCYFTJDESA-N 282.364 4.346 10 40 CICB CCN(CC)c1ccc(-c2nc3ccccc3[nH]2)cc1 5285392 KOECQEGGMWDHEV-UHFFFAOYSA-N 265.360 4.076 10 40 CICB Cc1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)cc1 41436783 UNIHIQDRIFNNAG-UHFFFAOYSA-N 281.277 4.148 10 40 CICB CCCN1c2ccc(CNCC)cc2[C@H](C)CC1(C)C 260722559 PUVFFGDWCFMCBH-CQSZACIVSA-N 274.452 4.298 10 40 CICB COc1ccc(/N=N\c2ccccc2)c([N+](=O)[O-])c1 104323753 YBJQVMUCFZBBQQ-PFONDFGASA-N 257.249 4.019 10 40 CICB O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1 14471532 NWLFTKJDLVHJIS-ZVZYQTTQSA-N 292.338 4.421 10 40 CICB Oc1c(C2=NN[C@H](c3cccs3)C2)ccc2ccccc12 6584083 XNSWBQYSQAMHSO-HNNXBMFYSA-N 294.379 4.046 10 40 CICB Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccccc1F 108237330 FBCSKSFRAGFBNS-UHFFFAOYSA-N 295.313 4.290 10 40 CICB Cc1cccc(/N=N/c2ccc(O)c(C(=O)O)c2)c1C 70461632 PTKMIIDFKLVPJU-WUKNDPDISA-N 270.288 4.123 10 40 CICB CCCNCc1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 223786976 YHSPNJKCNATXIZ-AWEZNQCLSA-N 274.452 4.217 10 40 CICB C[N+]1(CCc2ccccc2)SC(=S)C2=C1CCCC2 5535267 LWZSJDGNYSFXJL-UHFFFAOYSA-N 290.477 4.493 10 40 CICB Cc1ccc(C)n1-c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 3447820 BLDFJNCUMOKUKV-AWEZNQCLSA-N 296.414 4.109 10 40 CICB CN(C)c1ccc(/C=C\c2nc3cc(Cl)ccc3[nH]2)cc1 4824571 UCCPDHNBGYTLGB-YHYXMXQVSA-N 297.789 4.453 10 40 CICB CN(C)c1ccc(/C=C/c2ccnc3ccccc23)c(O)c1 6374992 FTNLQOOUTXBXNF-BQYQJAHWSA-N 290.366 4.177 10 40 CICB Cc1ccc(-n2c(C)ccc2C)c2c1CC(C)(C)O2 4054693 AEWSLPHBCSTBNF-UHFFFAOYSA-N 255.361 4.116 10 40 CICB CCCCN(CCCC)c1ccc(/C=C/C(=O)O)cc1 20527166 FXPJWIAFXDTBQM-FMIVXFBMSA-N 275.392 4.191 10 40 CICB Cc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)s1 409055186 XAXRLIGUOYLEQL-XYOKQWHBSA-N 286.327 4.177 10 40 CICB c1cncc(CNc2c3ccccc3nc3ccccc23)c1 4138997 OKCDWRDXSJCAHO-UHFFFAOYSA-N 285.350 4.395 10 40 CICB biogenic O=C1NC(=S)/C(=C/c2cccc(Cl)c2Cl)S1 15057003 YVZKJKCMDKXVIV-DAXSKMNVSA-N 290.196 4.118 10 40 CICB COc1ccc(N/C=C/C(=S)c2ccc(OC)cc2)cc1 100988054 GOYDPJHJXPXFPN-VAWYXSNFSA-N 299.395 4.048 10 40 CICB COc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C 17355001 KNZRDPHESMHXID-VBKFSLOCSA-N 277.367 4.329 10 40 CICB COC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C 223709095 MSEFXJUYCGOXDM-UHFFFAOYSA-N 271.360 4.004 10 40 CICB Clc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 409334520 SLLARZHOJDOKBL-RFQIPJPRSA-N 283.802 4.493 10 40 CICB CN(C)c1ccc(/C=C\c2ccnc3ccccc23)c(O)c1 17062669 FTNLQOOUTXBXNF-FPLPWBNLSA-N 290.366 4.177 10 40 CICB CCOc1cccc(CNc2ccccc2Cl)c1O 19942631 UHYMOGPGGLRZPK-UHFFFAOYSA-N 277.751 4.056 10 40 CICB Cc1ccc(C2=NC(=O)/C(=C/c3ccsc3)S2)cc1 199463 TVPQXPBJXMHSFS-JYRVWZFOSA-N 285.393 4.118 10 40 CICB Cc1ccccc1-n1c(C)cc(C(=O)C(F)(F)F)c1C 41436779 UAJMOFMBRMKRET-UHFFFAOYSA-N 281.277 4.148 10 40 CICB Cc1ccc(/N=N\c2ccc(CC(=O)O)cc2)cc1 100374136 YMSZSAHXGJYWBS-MSUUIHNZSA-N 254.289 4.038 10 40 CICB CC(=S)c1ccc(C(F)(F)F)cc1C(F)(F)F 228960933 QYMBXCBIACZIIJ-UHFFFAOYSA-N 272.213 4.462 10 40 CICB O=C(O)c1cc(/N=N/c2ccc(Cl)cc2)ccc1O 5785507 ZCRDPWZTENZVQN-FOCLMDBBSA-N 276.679 4.159 10 40 CICB CC[C@H](c1ccccc1)[C@@H](CC)c1cc(O)c(O)c(O)c1 1670147 ISDIKFNVTHSTFC-CABCVRRESA-N 286.371 4.491 10 40 CICB Cc1cc(C(=O)NC2CC2)c(C)n1-c1ccc(C(C)C)cc1 27800950 VELFGWDHONZOMN-UHFFFAOYSA-N 296.414 4.110 10 40 CICB CC(=O)c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 113688854 MTBVXIAJCWJTAV-UHFFFAOYSA-N 281.277 4.316 10 40 CICB Nc1ccc(Oc2cccc(-c3ccccc3)c2)nc1 685937239 CYMNYSSYUHMWCK-UHFFFAOYSA-N 262.312 4.123 10 40 CICB CN1c2ccccc2N(C)C1c1c(O)ccc2ccccc12 349161 ZHBMMEKUBSEKAJ-UHFFFAOYSA-N 290.366 4.130 10 40 CICB Cc1cc(Cl)c2c(c1Cl)C(=O)c1ccccc1C2=O 3845304 YZXAXYKZKHTDAM-UHFFFAOYSA-N 291.133 4.077 10 40 CICB biogenic Cc1ccc(C2=C/C(=C\c3cccs3)C(=O)O2)c(C)c1 8556803 YGNWKUVIJVQQNK-UKTHLTGXSA-N 282.364 4.346 10 40 CICB Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2N 32628474 YAKXYZZJFPDUNF-AWEZNQCLSA-N 294.320 4.141 10 40 CICB in-vitro Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1C(C)C 72216822 OENRCRJWNNNIFK-QGZVFWFLSA-N 283.419 4.034 10 40 CICB Cc1cc(-n2c(C)ccc2C)ccc1Br 8413219 MXVXDBQLDDEXPM-UHFFFAOYSA-N 264.166 4.165 10 40 CICB Cc1ccc(/N=N\c2ccc(O)c(CN(C)C)c2)cc1C 104312717 HXPYFGPIBVNFIY-HNENSFHCSA-N 283.375 4.486 10 40 CICB Cc1ccsc1/C=C1\SC(c2ccccc2)=NC1=O 15015696 CWOWHCIZQPCWFS-LCYFTJDESA-N 285.393 4.118 10 40 CICB c1ccc(/N=N/C2=NN(c3ccccc3)CS2)cc1 17108595 DVUDRXYYMWNTSA-FOCLMDBBSA-N 268.345 4.252 10 40 CICB Cc1ccc(-c2ccc(CCC(=O)O)n2C(C)C)cc1 559546 OUINVCDTVSLHKU-UHFFFAOYSA-N 271.360 4.062 10 40 CICB CCOC(=O)c1ccc(/N=N\c2ccccc2)cc1 104201498 ZABJMLAHGWTODF-MSUUIHNZSA-N 254.289 4.279 10 40 CICB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 408820047 STRADAYCHMFBLA-AATRIKPKSA-N 294.713 4.134 10 40 CICB CC=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1670129 UDCAZMJSUNJNER-UHFFFAOYSA-N 280.415 4.270 10 40 CICB Cc1cc2c(C)c3cccc[n+]3cc2c2ccccc12 1609548 MNWRIHUEWAUHJB-UHFFFAOYSA-N 258.344 4.349 10 40 CICB CCn1c(-c2ccc(Br)cc2)cnc1SC 44085255 QKEORWIBMIWQQG-UHFFFAOYSA-N 297.221 4.054 10 40 CICB CCc1ccc2nccc(Oc3ccc(N)cc3)c2c1 64875267 KKQKBMZFWQNCQB-UHFFFAOYSA-N 264.328 4.172 10 40 CICB Cc1cc(CNCC(C)C)c(C)n1-c1ccc(Cl)cc1 223671634 QFTVJYJOTIIJDL-UHFFFAOYSA-N 290.838 4.493 10 40 CICB O=Cc1ccc(Cc2ccccc2)n1Cc1ccc(F)cc1 226027975 NFHBBZKDQVSTHT-UHFFFAOYSA-N 293.341 4.079 10 40 CICB CC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 32152669 UYIUTJUJVWHTHO-UHFFFAOYSA-N 292.176 4.059 10 40 CICB CNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260722784 SRXKZVAJFUFDEQ-CQSZACIVSA-N 274.452 4.215 10 40 CICB CC1=C/C(=C\c2ccc(-c3ccc(C)cc3)o2)C(=O)O1 58764 ROYAQYCRHNHZPY-GXDHUFHOSA-N 266.296 4.099 10 40 CICB CC1=NN(c2ccccc2)C(=S)/C1=C\NC1CCCCC1 16161044 TWEJQQUSFPJDIH-VBKFSLOCSA-N 299.443 4.016 10 40 CICB S=C(/C=C/N1CCCCC1)c1ccc(Cl)cc1 16401152 VPGLSGNGDYJFKH-DHZHZOJOSA-N 265.809 4.058 10 40 CICB CC[C@H](c1cc(O)c(O)c(O)c1)[C@@H](CC)c1ccccc1 1670148 ISDIKFNVTHSTFC-LSDHHAIUSA-N 286.371 4.491 10 40 CICB Oc1ccccc1CNCC12CC3C[C@H](CC[C@H](C3)C1)C2 4833714 JSGYFGDVUVUJIX-JOUKPKRSSA-N 285.431 4.088 10 40 CICB CCNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223784588 RUVVCDQJWLLTPP-CQSZACIVSA-N 274.452 4.297 10 40 CICB O=C(O)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 94420 UOJZJSJJYHNEDI-ZVZYQTTQSA-N 291.350 4.211 10 40 CICB Cc1ccc(O)c(CNc2nc3ccccc3n2C(C)C)c1 521634 PICRASQQCNIMQU-UHFFFAOYSA-N 295.386 4.243 10 40 CICB CCN1CCCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1 72216779 YCQJNPASHUPFPD-KRWDZBQOSA-N 283.419 4.036 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccncc1)N2 972007 GFFORNJPBHBBKZ-VBQJREDUSA-N 266.319 4.047 10 40 CICB CCCN1CCCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1 72216780 LCHJCZWTPIGKQE-GOSISDBHSA-N 297.446 4.426 10 40 CICB Cc1ccc(C)c(-n2c(C)cc(C(=O)C(F)(F)F)c2C)c1 41484814 BKZWKPRHZYOJPV-UHFFFAOYSA-N 295.304 4.456 10 40 CICB CCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1236435 NQCJVKCITQKLQV-UVTDQMKNSA-N 299.420 4.061 10 40 CICB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccccc2)cc1 295124 GKRSIMQWGZHWCT-UHFFFAOYSA-N 291.350 4.313 10 40 CICB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 19737428 CWKYUXIKLTTXIO-HDMKZQKVSA-N 280.346 4.234 10 40 CICB Cc1cccnc1CSc1ncc(-c2ccccc2)n1C 92849717 BYOINOLXHOCQNC-UHFFFAOYSA-N 295.411 4.083 10 40 CICB CCN1c2cc(F)c(CNC(C)C)cc2[C@@H](C)CC1(C)C 223790042 NCCINEMBGPVNPG-ZDUSSCGKSA-N 292.442 4.436 10 40 CICB Oc1ccccc1CNc1cc(Cl)cc(Cl)c1 2566264 WFRJXGLWCSJDKW-UHFFFAOYSA-N 268.143 4.311 10 40 CICB COC(=O)c1ccccc1-n1c(C)ccc1-c1ccccc1 5589210 KOUJSNYDKSTNNM-UHFFFAOYSA-N 291.350 4.239 10 40 CICB CCN1c2cc(F)c(CNC(C)C)cc2C(C)=CC1(C)C 223822616 ZWXPGGVTEJTMRJ-UHFFFAOYSA-N 290.426 4.346 10 40 CICB CN(C)c1ccc(/C=C2\C=Cc3ccccc32)c(F)c1 1720698 IZVVITUSWNTFCA-SDNWHVSQSA-N 265.331 4.459 10 40 CICB Fc1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 58850828 FJJWEFGBLGFZJX-WWGRRREGSA-N 266.319 4.047 10 40 CICB Cc1cc(N(C)C)ccc1/N=N\c1ccc(N)cc1 100714210 LSLZRFFCASZXTC-ZCXUNETKSA-N 254.337 4.059 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C/C(C)=C/c1ccco1 113835762 YGBJYEYDPPNRTP-QKIOLIMFSA-N 292.338 4.032 10 40 CICB COc1cccc(-n2c(C)ccc2-c2cccc(C)n2)c1 199746211 XPWKXDTVVQPNBB-UHFFFAOYSA-N 278.355 4.165 10 40 CICB COC(=O)c1ccccc1/N=N/c1cc(C)c(C)cc1O 104181711 CUJXRPCBUYGJOU-ISLYRVAYSA-N 284.315 4.211 10 40 CICB [N-]=[N+]=NCc1cc2c(Br)cccc2nc1Cl 685936893 BRWISSKUGYOXRD-UHFFFAOYSA-N 297.543 4.461 10 40 CICB Cc1ccc(-c2ccccc2)n1Cc1ccc(C(=O)O)cc1 5034986 MRMCLUPKPHEURO-UHFFFAOYSA-N 291.350 4.210 10 40 CICB CCc1ccc(/N=N\c2ccc(CC(=O)O)cc2)cc1 100278245 OWWGSXLTWVZPDN-ZCXUNETKSA-N 268.316 4.292 10 40 CICB Cc1sc(/N=N/c2c(O)ccc3ccccc23)[n+]([O-])c1C 104198130 NDKSLPLAGHJOFE-WUKNDPDISA-N 299.355 4.273 10 40 CICB O=C1c2ccccc2C(=O)[C@H]2CC(c3ccccc3)=CC[C@H]12 100488019 GRMBYWZIMSNRJK-ROUUACIJSA-N 288.346 4.175 10 40 CICB CCC1(c2c(C)cc(C)cc2C)C(=O)c2ccccc2C1=O 33658352 HTZVVBJUNASOCE-UHFFFAOYSA-N 292.378 4.339 10 40 CICB COC(=O)c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 223703892 SSDNTGGYJMXZKR-UHFFFAOYSA-N 298.169 4.188 10 40 CICB CN(Cc1ccc(F)cc1)Cc1c(O)ccc2ccccc12 6653187 VCVOALWXMTYVOZ-UHFFFAOYSA-N 295.357 4.317 10 40 CICB CCCN1c2cc(Cl)c(CNC)cc2C(C)=CC1(C)C 223798024 NORHFZGWOBNLEZ-UHFFFAOYSA-N 292.854 4.471 10 40 CICB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 972008 VWYPUMCAQAMYSF-GJYPPUQNSA-N 290.366 4.111 10 40 CICB Cc1ccccc1/N=N/c1cc(C)c(O)c(C(=O)O)c1 70461678 QREPNMIOJUQQJJ-WUKNDPDISA-N 270.288 4.123 10 40 CICB CCNCc1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 223799955 PDZPNUZAFFMVHK-UHFFFAOYSA-N 278.827 4.081 10 40 CICB CCOc1cccc(CNc2cccc(SC)c2)c1O 19900582 ZAUVKWRKFMSEOD-UHFFFAOYSA-N 289.400 4.125 10 40 CICB Cc1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1 409051411 CHBYFHTWPKAYRO-UKTHLTGXSA-N 268.337 4.038 10 40 CICB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 5331953 QJIVRVQJJOTRKJ-JJRVBVJISA-N 292.338 4.421 10 40 CICB CCOC(=O)CCCCCCCCCCN=[N+]=[N-] 1542984438 XJKSQNYXNAKXEV-UHFFFAOYSA-N 255.362 4.371 10 40 CICB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C\[N+](=O)[O-])cc21 208262878 NBYLBEIHPYSSFE-OMMCCPJFSA-N 294.782 4.309 10 40 CICB Cc1cccc(-n2c(C)cc(CNCC(C)C)c2C)c1C 223666373 LRKIVYXCNKUPLA-UHFFFAOYSA-N 284.447 4.457 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 4004330 SECYMZWHUFZRKC-PRXAMGSTSA-N 284.309 4.186 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 101708421 NBPIVZCAUUWNER-DWRJGLHPSA-N 288.350 4.049 10 40 CICB CCOc1ccc(CNc2ccc3c(c2)ncn3CC)cc1 423334 GHWLFHXNRQNQPD-UHFFFAOYSA-N 295.386 4.067 10 40 CICB CN(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1N 6375156 ZPIGNYBULUNTNI-VQHVLOKHSA-N 289.382 4.053 10 40 CICB Cc1cccc(C)c1/[N+]([O-])=[N+](\[O-])c1c(C)cccc1C 12462888 MOIONWYNTORJQI-ISLYRVAYSA-N 270.332 4.356 10 40 CICB CC(=O)Nc1cccc(/N=N\c2cccc(NC(C)=O)c2)c1 100367894 MFQVTKNFHJLIFA-VXPUYCOJSA-N 296.330 4.019 10 40 CICB CC(=O)Nc1ccc(/N=N\c2cc(C)ccc2O)cc1 100858965 PXOZAFXVEWKXED-ZCXUNETKSA-N 269.304 4.074 10 40 CICB CC(C)Cc1ccc(C=O)n1Cc1ccc(Cl)cc1 226023408 LJMNZNUSCSDNJR-UHFFFAOYSA-N 275.779 4.201 10 40 CICB Nc1ccc(N=Nc2cccc(Br)c2)c(N)c1 245241268 ZSUFRRAJYQXNMT-UHFFFAOYSA-N 291.152 4.029 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1cc([N+](=O)[O-])ccc1O 408740696 DINMTYNGDXOZQN-UHFFFAOYSA-N 294.310 4.067 10 40 CICB CCc1cccc2c(Nc3ccc(N)cc3)ccnc12 64875362 ZMDRGROOMFNGFS-UHFFFAOYSA-N 263.344 4.123 10 40 CICB CN(C)/N=N\c1c(Cl)cc(Cl)cc1Cl 100257665 MMCIMUJXJHNNAU-SEYXRHQNSA-N 252.532 4.207 10 40 CICB Cc1cc(C)cc(-n2c(C)cc(CNCC(C)C)c2C)c1 223668747 BCYQKIAFBXHDBQ-UHFFFAOYSA-N 284.447 4.457 10 40 CICB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1ccc(C)cc1 37408010 CLEIVDROEWZWID-SFQUDFHCSA-N 290.366 4.110 10 40 CICB CCCNCc1ccc2c(c1)C(C)=CC(C)(C)N2CC 223801270 QMSPTQQMHYHCRG-UHFFFAOYSA-N 272.436 4.208 10 40 CICB CCOc1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1 13615348 LGEDSRZPVDSXBI-VBKFSLOCSA-N 292.334 4.067 10 40 CICB Nc1ccc(/N=N/c2nccs2)c(Cl)c1Cl 16384174 PWOAWKPJRLZZCW-CCEZHUSRSA-N 273.148 4.448 10 40 CICB Cc1cc(C(=O)O)c(C)n1-c1ccc(C(C)(C)C)cc1 20011396 XSMHUGITXBCHOK-UHFFFAOYSA-N 271.360 4.090 10 40 CICB O=C1OC(c2ccccc2)=C/C1=C\c1ccc(Cl)cc1 16954836 OOBPYNGHMHREFX-GXDHUFHOSA-N 282.726 4.321 10 40 CICB Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1 257351370 DRPPFIRCBMBJCM-UHFFFAOYSA-N 257.249 4.024 10 40 CICB [N-]=[N+]=NCc1cc2cccc(Br)c2nc1Cl 685937359 QIXLYYFKDGSKFC-UHFFFAOYSA-N 297.543 4.461 10 40 CICB CC(C)c1ccc(NC(=S)NNc2ccccc2)cc1 3119260 ZBEKCCVLIAVWHZ-UHFFFAOYSA-N 285.416 4.124 10 40 CICB COc1ccc(/N=N/c2ccc([N+](C)(C)C)cc2)cc1 96191705 YAEFWJIBLILRPY-ISLYRVAYSA-N 270.356 4.307 10 40 CICB Cc1cc2c3c(c1C)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409334059 RHKLXLBWXVYCKA-QBPKDAKJSA-N 277.411 4.456 10 40 CICB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N)cc1)N2 4004670 IGQHKCQCOKAXOE-BXWFABGCSA-N 276.383 4.404 10 40 CICB Cc1cc(C)c(/N=N/c2n(C)c3ccccc3[n+]2C)c(C)c1 4793773 YIIWDCKKAZZPET-UHFFFAOYSA-N 293.394 4.343 10 40 CICB CC(C)CCc1ccc(C=O)n1Cc1ccc(F)cc1 226025278 QXYHDJIGVPCNDH-UHFFFAOYSA-N 273.351 4.077 10 40 CICB Cc1cccc(C)c1/N=N/c1ccc(O)c(C=O)c1 70461641 ZLKMSENAZZKYMX-WUKNDPDISA-N 254.289 4.237 10 40 CICB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C(C)C 72216842 AICNTVHOENPUAE-SFHVURJKSA-N 297.446 4.425 10 40 CICB CCN1CCCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1 72216778 YCQJNPASHUPFPD-QGZVFWFLSA-N 283.419 4.036 10 40 CICB C[N@+]1(CCc2ccccc2)SC(=S)C2=C1CCCC2 254742190 LWZSJDGNYSFXJL-QGZVFWFLSA-N 290.477 4.493 10 40 CICB CCN1c2cc(Cl)c(CNC)cc2[C@@H](C)CC1(C)C 223783018 ZDPFORIITXVJNE-NSHDSACASA-N 280.843 4.172 10 40 CICB Cc1ccc(-n2c(C)ccc2C)cc1Br 4675310 FQOXOFKUVDQSQZ-UHFFFAOYSA-N 264.166 4.165 10 40 CICB Oc1cc2[nH]c3ccccc3c2cc1CN1CCCCC1 12844758 ZWULXSZHIQVCLK-UHFFFAOYSA-N 280.371 4.013 10 40 CICB Cc1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)cc1C 41484816 HDAGNEQSJDVXSN-UHFFFAOYSA-N 295.304 4.456 10 40 CICB Fc1cccc2c1N[C@@H](c1ccccn1)[C@@H]1CC=C[C@H]21 318584 REWFWFNOWIQSAY-CJBNDPTMSA-N 266.319 4.047 10 40 CICB C[n+]1c(/C=C\c2c[nH]c3ccccc23)ccc2ccccc21 5004933 FFNDRAJLGVDTRV-UHFFFAOYSA-O 285.370 4.316 10 40 CICB CSC1=NC(=O)/C(=C\c2cccc3ccccc23)S1 6850235 FAJYWVDEEQKXAU-UKTHLTGXSA-N 285.393 4.173 10 40 CICB CCCCN1c2cc(C)c(CN)cc2[C@@H](C)CC1(C)C 223780349 OLNZFCRABOSJFY-AWEZNQCLSA-N 274.452 4.346 10 40 CICB CC(C)COC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 36991 GZKOPUIHAWKYEJ-UHFFFAOYSA-N 298.386 4.064 10 40 CICB CC(=O)c1cccc(/N=N/Nc2cccc(C(C)=O)c2)c1 18158321 KPRVIEFIYDOULC-UHFFFAOYSA-N 281.315 4.203 10 40 CICB Cc1c(Cl)c(-c2ccc(O)c(O)c2)nc2ccccc12 15453908 YPCMZZJFSLTDFK-UHFFFAOYSA-N 285.730 4.275 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(CN(C)C)c2)cc1C 6005901 HXPYFGPIBVNFIY-VHEBQXMUSA-N 283.375 4.486 10 40 CICB CN(C)c1ccc(/C=C/c2ccnc3c(O)cccc23)cc1 6375065 OSSROFZTGSSYNR-RMKNXTFCSA-N 290.366 4.177 10 40 CICB CC1=C/C(=C/c2ccc(-c3ccc(C)cc3)o2)C(=O)O1 12653260 ROYAQYCRHNHZPY-UVTDQMKNSA-N 266.296 4.099 10 40 CICB biogenic CCNCc1cc2c(cc1F)N(CC)C(C)(C)C[C@@H]2C 223785656 YELPMKMWDOHSNW-LBPRGKRZSA-N 278.415 4.047 10 40 CICB O=[N+]([O-])c1cccc(N/N=N/c2ccc(Cl)cc2)c1 3897414 FCOPLZDHYPVTJU-UHFFFAOYSA-N 276.683 4.359 10 40 CICB Cc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1Cl 70461945 XPHHGYYZISONHC-WUKNDPDISA-N 290.706 4.468 10 40 CICB CC(=O)c1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C 32127425 DPBQPEKAFQCUCH-UHFFFAOYSA-N 281.277 4.316 10 40 CICB O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1Cl 206191466 KAXZBFCDXRRSRA-GXDHUFHOSA-N 282.726 4.321 10 40 CICB Cc1cccc(/N=N/C(=S)NNc2cccc(C)c2)c1 100349902 RJPQZTBOTTVHMB-HTXNQAPBSA-N 284.388 4.289 10 40 CICB Cc1ccc(C)c(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70461676 DUEYCAOOHKGSOL-ISLYRVAYSA-N 284.315 4.431 10 40 CICB [N-]=[N+]=NCc1cc2cc(Br)ccc2nc1Cl 685936960 DWRWXGJIILRYBO-UHFFFAOYSA-N 297.543 4.461 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 1461951 JZIPVNHGWYQPCA-GRDNDAEWSA-N 266.319 4.047 10 40 CICB Oc1cc(-n2cccc2)ccc1-c1nc2ccccc2s1 226281852 HGRMNLYTGXBEOF-UHFFFAOYSA-N 292.363 4.460 10 40 CICB Cc1ccc(Cc2ccc(C=O)n2Cc2ccccc2)cc1 226029833 SEZUPFHCOMLZEQ-UHFFFAOYSA-N 289.378 4.248 10 40 CICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 4320368 AFUQGUYCNGJYNT-FRQROOTJSA-N 295.382 4.195 10 40 CICB CC(C)CCc1ccc(CO)n1Cc1ccc(Cl)cc1 226025377 JOWGWFYIFVISLN-UHFFFAOYSA-N 291.822 4.271 10 40 CICB Cc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1 7165596 KCRLFRKJWCZDPK-PTNGSMBKSA-N 294.379 4.077 10 40 CICB Cc1cc(C)c2c(c1)-c1nc3ccccc3cc1C2=O 1443442 YSINBEJLOVDBSN-UHFFFAOYSA-N 259.308 4.063 10 40 CICB Cc1cc2c(cc1CNC(C)C)[C@@H](C)CC(C)(C)N2C 223789022 YVUSNXZOAONHSK-AWEZNQCLSA-N 274.452 4.215 10 40 CICB CN(C)/N=N\c1c(-c2ccccc2)n[nH]c1-c1ccccc1 16953118 AVYXEAZIBZEFAE-MRCUWXFGSA-N 291.358 4.304 10 40 CICB c1ccc(-c2ccc(/N=N\N3CCCC3)cc2)cc1 104317292 MRYPNJVMVATAJI-ZCXUNETKSA-N 251.333 4.448 10 40 CICB CCOc1ccc(-c2cc3n(c2)CCn2c(C)ccc2-3)cc1 276937 SWGIYGPFCGQCSX-UHFFFAOYSA-N 292.382 4.344 10 40 CICB c1ccc(-c2nc(CSc3nccs3)co2)cc1 64660186 YCEVWKUXGZIJKU-UHFFFAOYSA-N 274.370 4.090 10 40 CICB COc1ccc(/N=N\c2cc(C)c(C)cc2O)cc1 104168846 BYJKVZBYSHTWOC-MSUUIHNZSA-N 256.305 4.433 10 40 CICB Cn1c(-c2ccccc2)cnc1SCc1ccccc1 285894 RJVZXOYXDWKGBW-UHFFFAOYSA-N 280.396 4.379 10 40 CICB CCOC(=O)[C@H](C(C)C)n1c(C)ccc1-c1ccccc1 95951459 CUJYYEXFWZDANQ-KRWDZBQOSA-N 285.387 4.224 10 40 CICB O=C1c2ccccc2C(=O)C1c1csc2ccccc12 101079470 YEKIPDFHDNXZHK-UHFFFAOYSA-N 278.332 4.064 10 40 CICB C[C@@H](NCc1ccccc1O)c1ccc2c(c1)CCCC2 37071138 UPEMUWUFMHITKD-CQSZACIVSA-N 281.399 4.122 10 40 CICB CCN(CC)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 33329142 NSELQBINJGAGHO-LGMDPLHJSA-N 292.382 4.026 10 40 CICB Cc1ccc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 136228763 FBCCMBSVYPTRIE-UHFFFAOYSA-N 278.311 4.361 10 40 CICB CCCN1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C 72216840 SSWTXRRUBHHTDZ-GOSISDBHSA-N 297.446 4.426 10 40 CICB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 4982764 LKCVPAJAXLUURH-RLFYNMQTSA-N 291.350 4.211 10 40 CICB Cc1cc(C=O)c(C)n1-c1ccccc1N1CCCCCC1 8701904 BMWSYSMQUAUCMY-UHFFFAOYSA-N 296.414 4.287 10 40 CICB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C(C)C 72216821 OENRCRJWNNNIFK-KRWDZBQOSA-N 283.419 4.034 10 40 CICB Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2C(C)C)cn1 72216782 RLTBGECYYRLTQL-SFHVURJKSA-N 297.446 4.425 10 40 CICB COc1cccc(CNc2ccc(C(C)C)cc2)c1O 19912415 SJAGLVFHCJEQOG-UHFFFAOYSA-N 271.360 4.136 10 40 CICB Cc1cc(Cl)ccc1/N=N/c1ccc(O)c(CO)c1 70461977 OIPMZKJUVOLQKZ-WUKNDPDISA-N 276.723 4.262 10 40 CICB O=C(O)c1cccc(/N=N/c2ccc(O)c3ncccc23)c1 18192743 PMALLTMJOMFIMV-VHEBQXMUSA-N 293.282 4.054 10 40 CICB Cc1cc(/N=N/c2c(C)cccc2C)cc(C(=O)O)c1O 70461677 XKZKQRXTCKSORT-ISLYRVAYSA-N 284.315 4.431 10 40 CICB CCN(CC)c1ccc(-c2nc3ccccc3o2)cc1 59301031 MYHNMZPERVYEKS-UHFFFAOYSA-N 266.344 4.341 10 40 CICB Cc1ccc(F)c(NCc2cc(Cl)ccc2O)c1 20471696 BJPKGUPURDWBMR-UHFFFAOYSA-N 265.715 4.105 10 40 CICB Clc1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 409334595 UFHMZCTUFNRIAE-AYRXBEOTSA-N 283.802 4.493 10 40 CICB CN(C)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 58886032 RGHMSIAAFRNLKD-UHFFFAOYSA-N 272.735 4.214 10 40 CICB CCCNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC 223786528 VPWBMLAMIPEBCD-AWEZNQCLSA-N 274.452 4.298 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 802449 SECYMZWHUFZRKC-XWCIJXRUSA-N 284.309 4.186 10 40 CICB Cc1cc(O)c(CN(CC(C)C)C2CC2)cc1C(C)C 58723260 SSAIZBGFGATJFQ-UHFFFAOYSA-N 275.436 4.444 10 40 CICB CCCN1c2ccc(CNCC)cc2C(C)=CC1(C)C 223799292 RFTGCZQPDHMGJI-UHFFFAOYSA-N 272.436 4.208 10 40 CICB COc1ccccc1-c1ccc(C)n1-c1ccccc1 228929656 VIWLFZVKIDYBDF-UHFFFAOYSA-N 263.340 4.461 10 40 CICB Cc1ccc2c(C)c3ccc4ccccc4c3c[n+]2c1 1718909 OWXOCPZIFSPCEM-UHFFFAOYSA-N 258.344 4.349 10 40 CICB Cc1cc(C)cc(/N=N/c2ccc(O)c(C(=O)O)c2)c1 70461636 MHQRVPIZXYDUHP-WUKNDPDISA-N 270.288 4.123 10 40 CICB CN(C)c1ccc(CNc2ccc(F)c(Cl)c2)cc1 575648 UNFGVHXDFJKBBQ-UHFFFAOYSA-N 278.758 4.157 10 40 CICB CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(O)c1 1665030 KWYPVFQNTRXTSH-HOTGVXAUSA-N 286.371 4.491 10 40 CICB CCN(CC)c1ccc(CN[C@@H](C)c2ccccc2)cc1 6869708 GGGYOYARZQCLFS-INIZCTEOSA-N 282.431 4.384 10 40 CICB O=C1C(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc21 1674732 FQIUZIVUKRTTMT-UHFFFAOYSA-N 277.106 4.039 10 40 CICB CCCCCc1cc(C(=O)O)[nH]c1-c1ccccc1 5503123 UDAXZGHZJGZJSX-UHFFFAOYSA-N 257.333 4.113 10 40 CICB Cc1cc2c3c(c1C)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 409334062 RHKLXLBWXVYCKA-YLFCFFPRSA-N 277.411 4.456 10 40 CICB COC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 223704060 KEBXEXYGIVJDAG-UHFFFAOYSA-N 298.169 4.188 10 40 CICB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C\[N+](=O)[O-])cc21 208262841 NBYLBEIHPYSSFE-WWQCOOJYSA-N 294.782 4.309 10 40 CICB CCc1ccc2nc(Cc3ccc(N)cc3)sc2c1 62720016 GINWPMHOLOMNEV-UHFFFAOYSA-N 268.385 4.032 10 40 CICB Cc1ccc(/N=N\c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 104081669 YDDYAYLWOGIKSV-PFONDFGASA-N 286.247 4.227 10 40 CICB CCCCN1c2cc(F)c(CN)cc2[C@H](C)CC1(C)C 260726741 ZRBXUMFMXXVAFJ-GFCCVEGCSA-N 278.415 4.177 10 40 CICB Nc1ccc(Nc2nc(-c3cccs3)cs2)cc1 813414 QZGVAMGHZCSIRV-UHFFFAOYSA-N 273.386 4.197 10 40 CICB Cc1ccc(C2=C/C(=C\c3cccs3)C(=O)O2)cc1C 5151744 SVSDURHIEJHBED-NTEUORMPSA-N 282.364 4.346 10 40 CICB Cc1ccsc1-c1nc(-c2ccc(O)c(O)c2)cs1 28334497 GPOLRXTYEHGQTM-UHFFFAOYSA-N 289.381 4.258 10 40 CICB CN(C)c1ccc(/C=C/c2nccc3ccccc23)cc1 16951879 SZIQJAQQBGULIE-FMIVXFBMSA-N 274.367 4.471 10 40 CICB Cc1ccc(-n2c(C)cc(-c3csc(N)n3)c2C)cc1 3301001 OUERWKWPFXFBHO-UHFFFAOYSA-N 283.400 4.108 10 40 CICB Cc1cc(/C=C\c2cccc[n+]2C)c(C)n1-c1ccccc1 8581490 BMYBCQGLLDEKHF-UHFFFAOYSA-N 289.402 4.089 10 40 CICB CCc1ccc2nccc(Nc3ccc(N)cc3)c2c1 64875334 KJRAVJVXEMLXDF-UHFFFAOYSA-N 263.344 4.123 10 40 CICB C[C@]12CC3CC(CNCc4ccccc4O)(C1)C[C@](C)(C3)C2 100871934 UWQNAJVFOCSKBA-QJTDPOQLSA-N 299.458 4.478 10 40 CICB Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1O 408741186 HHQXNEVMQHEKDO-UHFFFAOYSA-N 294.310 4.067 10 40 CICB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 4959394 FBKCRWSTGRHOGI-RLFYNMQTSA-N 292.338 4.421 10 40 CICB C[C@@]12CC3CC(CNCc4ccccc4O)(C1)C[C@@](C)(C3)C2 100871933 UWQNAJVFOCSKBA-DSOJJBLGSA-N 299.458 4.478 10 40 CICB CCN(CC)c1ccc(CNc2cccc([N+](=O)[O-])c2)cc1 315946055 XRSQJFVLQBAVRX-UHFFFAOYSA-N 299.374 4.053 10 40 CICB CN(C)/N=N\c1ccc(-c2ccc(/N=N\N(C)C)cc2)cc1 100374422 DUDMFDHEPISMOC-CLFAGFIQSA-N 296.378 4.474 10 40 CICB CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1F 17430940 YACXNWMNSRGMFV-PTNGSMBKSA-N 265.331 4.459 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 4832542 JAZYTGLNPAOCNA-XNTDXEJSSA-N 280.298 4.115 10 40 CICB Cc1cc(NCc2cc(Cl)ccc2O)ccc1F 44836124 PNQHUCDSXMNNFF-UHFFFAOYSA-N 265.715 4.105 10 40 CICB Cc1cccc(-n2c(C)cc(CNCC(C)C)c2C)c1 223665822 PUYJEXAUDWDBRZ-UHFFFAOYSA-N 270.420 4.148 10 40 CICB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 5331957 QJIVRVQJJOTRKJ-GRDNDAEWSA-N 292.338 4.421 10 40 CICB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 58850946 WARRBTWJRVJWJF-ZRGWGRIASA-N 290.366 4.111 10 40 CICB CCNCc1cc(C)n(-c2cccc(Cl)c2C)c1C 223671955 JSQOCFRNRPSCIX-UHFFFAOYSA-N 276.811 4.165 10 40 CICB CCN(CC)c1ccc(CNC2CCCCCC2)cc1 6869666 GKSGYNWMHDJGER-UHFFFAOYSA-N 274.452 4.345 10 40 CICB CCOc1cccc(CNc2ccc(F)cc2Cl)c1O 20595085 JEBZIKBSTKXELN-UHFFFAOYSA-N 295.741 4.196 10 40 CICB Cc1cc(CNCC(C)C)c(C)n1-c1cccc(Cl)c1 223671068 LJGGBLCSYROGRQ-UHFFFAOYSA-N 290.838 4.493 10 40 CICB CCNCc1cc(C)n(-c2cc(Cl)ccc2C)c1C 223673094 LCENRAZMQDZJRF-UHFFFAOYSA-N 276.811 4.165 10 40 CICB CCCCN1c2cc(C)c(CN)cc2[C@H](C)CC1(C)C 260722417 OLNZFCRABOSJFY-CQSZACIVSA-N 274.452 4.346 10 40 CICB CCCCN1CCCc2cc(CN[C@@H](C)CC)ccc21 32919251 JEACVACFFPKQHH-HNNXBMFYSA-N 274.452 4.127 10 40 CICB Clc1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 409334521 SLLARZHOJDOKBL-YIYPIFLZSA-N 283.802 4.493 10 40 CICB C[N+](C)(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1 1592718 UVWCPIQCXZWCMU-SAPNQHFASA-N 262.376 4.451 10 40 CICB Cc1sc(/N=N\c2c(O)ccc3ccccc23)[n+]([O-])c1C 17106195 NDKSLPLAGHJOFE-MSUUIHNZSA-N 299.355 4.273 10 40 CICB CCCCCOc1ccccc1C(=O)Nc1ccc(N)cc1 19736652 RFTFDEYKWSNBCD-UHFFFAOYSA-N 298.386 4.090 10 40 CICB Cc1cc(C)c2nccc(Nc3ccc(N)cc3)c2c1 64875353 LXOIQEAOUWEGBH-UHFFFAOYSA-N 263.344 4.177 10 40 CICB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1CC(C)C 72216826 ABPNFZMJQUSJCC-GOSISDBHSA-N 297.446 4.282 10 40 CICB Cc1cccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)c1 41436781 UHWWEPQFVGEEQF-UHFFFAOYSA-N 281.277 4.148 10 40 CICB CCCCN1CCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1 72216768 JRBUHRDFRPTAPR-SFHVURJKSA-N 297.446 4.426 10 40 CICB Cc1cc(O)c(/N=N/c2ccc(C(=O)O)cc2)cc1C 4403027 IRPMNRQJHGUWHK-WUKNDPDISA-N 270.288 4.123 10 40 CICB CCCCN1CCC[C@H]1c1cccnc1-n1c(C)ccc1C 72216828 LDLKDAGWDKGQQT-SFHVURJKSA-N 297.446 4.426 10 40 CICB CN(C)Cc1cc(C(C)(C)C)cc(C2CCCC2)c1O 1683263 XMQYZODCLPZQHJ-UHFFFAOYSA-N 275.436 4.409 10 40 CICB COc1ccc(/N=N/c2ccc3oc(=O)ccc3c2)cc1 4843947 PNFIFURMQXBYIN-ISLYRVAYSA-N 280.283 4.217 10 40 CICB Cc1cc(C)c(O)c(CN(Cc2ccccc2)C(C)C)c1 89568877 GSAGBUFSQRMGEX-UHFFFAOYSA-N 283.415 4.420 10 40 CICB CCCCN1CCCc2cc(CN[C@H](C)CC)ccc21 32919253 JEACVACFFPKQHH-OAHLLOKOSA-N 274.452 4.127 10 40 CICB CCCN1CCCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1 72216781 LCHJCZWTPIGKQE-SFHVURJKSA-N 297.446 4.426 10 40 CICB CC(C)(C)OC(=O)NCCCCCCCCN=[N+]=[N-] 701723612 LBZMAFUGZJUKFI-UHFFFAOYSA-N 270.377 4.162 10 40 CICB Cc1ccc(-c2cc3n(c2)CCn2c(C)ccc2-3)cc1 276940 GFGMQLRQFWCYSS-UHFFFAOYSA-N 262.356 4.254 10 40 CICB CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1F 17837971 ZRPSECKBKXEBBD-ISLYRVAYSA-N 257.268 4.200 10 40 CICB CCCNCc1cc(C)n(-c2ccc(C)cc2C)c1C 223666761 XEOQAMZSMJHVQH-UHFFFAOYSA-N 270.420 4.211 10 40 CICB CCCCN1CCC[C@@H]1c1cccnc1-n1c(C)ccc1C 72216827 LDLKDAGWDKGQQT-GOSISDBHSA-N 297.446 4.426 10 40 CICB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1cccs1 446560 MBAMYMLGFNVVCQ-FLIBITNWSA-N 288.755 4.383 10 40 CICB O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]21 3636263 ANRWQDNDIIAQSL-DFHBCGBQSA-N 292.338 4.421 10 40 CICB Cc1cc(/C=C/C(=O)O)c(C)n1-c1cccc(C(C)C)c1 20285297 DQIFELDJUITYFR-CMDGGOBGSA-N 283.371 4.315 10 40 CICB COc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1 70453991 KPJURDLWGPDEKY-UHFFFAOYSA-N 292.338 4.090 10 40 CICB CCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C 223785163 CLSJHEYCOJSRCG-NSHDSACASA-N 280.843 4.172 10 40 CICB CCN1c2cc(C)c(/C=C\[N+](=O)[O-])cc2C(C)=CC1(C)C 208521113 CGTSZJBZRKJIEL-FPLPWBNLSA-N 286.375 4.264 10 40 CICB CCNCc1cc2c(cc1C)N(CC)C(C)(C)C=C2C 223799619 UXWDALUORIFPIR-UHFFFAOYSA-N 272.436 4.126 10 40 CICB Cc1ccc(C)n1-c1cc(N)ccc1Oc1ccccc1 8702393 RDRSCQNIPFTSME-UHFFFAOYSA-N 278.355 4.469 10 40 CICB Cc1cc(CN)c(C)n1-c1ccc(Oc2ccccc2)cc1 34936142 LHEVFOSHMXBGDS-UHFFFAOYSA-N 292.382 4.345 10 40 CICB Cc1ccc(/N=N/c2c(C)nc3ccccn23)cc1 71580537 DCTMFTOVQSPSIE-ISLYRVAYSA-N 250.305 4.367 10 40 CICB CCCn1c(NC(=O)Nc2ccccc2)nc2ccccc21 27923521 HHAJWBSBOLWRJT-UHFFFAOYSA-N 294.358 4.090 10 40 CICB O=C(O)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1 351500 XAHAGYKOUJEDAX-UHFFFAOYSA-N 290.322 4.074 10 40 CICB CC(=O)C1=NN(c2ccccc2)/C(=C/c2ccccc2)S1 4891500 ADFIXTXQLTUUQY-VBKFSLOCSA-N 294.379 4.141 10 40 CICB Oc1c(Cl)cc(Cl)cc1CNc1ccccc1 1681068 RPQIKHYWFFZVIZ-UHFFFAOYSA-N 268.143 4.311 10 40 CICB O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccccc1 3030782 TZPSGDWUSVAMNF-SDNWHVSQSA-N 297.404 4.092 10 40 CICB CCOc1cccc(CNc2cccc(Cl)c2F)c1O 20472357 IAJZSLAPRZJHTH-UHFFFAOYSA-N 295.741 4.196 10 40 CICB CCn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 575002 NXEZIHQYSUPION-LFIBNONCSA-N 288.350 4.154 10 40 CICB Cc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)ccc1O 104167681 NFYJEGQHQIAKOP-PFONDFGASA-N 257.249 4.024 10 40 CICB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(N)cc1)N2 51867 IGQHKCQCOKAXOE-FCEWJHQRSA-N 276.383 4.404 10 40 CICB Clc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409334596 UFHMZCTUFNRIAE-QHSBEEBCSA-N 283.802 4.493 10 40 CICB CCC1(c2cc(C)ccc2C)C(=O)c2ccccc2C1=O 408733247 GZLXJHRBEFRGGW-UHFFFAOYSA-N 278.351 4.030 10 40 CICB CC(=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 5258152 XGSMUJKWMDMXIP-FOCLMDBBSA-N 269.260 4.213 10 40 CICB Fc1cccc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21 4501459 REWFWFNOWIQSAY-PLQHRBFRSA-N 266.319 4.047 10 40 CICB Clc1ccc(/N=N/N2CCc3ccccc3C2)cc1 17109059 VHZKZQWWLYOACE-ISLYRVAYSA-N 271.751 4.397 10 40 CICB Cc1ccc(/N=N\c2c(C)nn(C(=S)S)c2C)cc1 104225588 PCIGOHGVRGRSQJ-PFONDFGASA-N 290.417 4.287 10 40 CICB CC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 18067899 AYKOZZPOOKONTQ-ISLYRVAYSA-N 267.332 4.371 10 40 CICB Oc1ccc(-c2ccccc2)cc1CN1CCCCCC1 4357468 PYNTUDSNQFCTCG-UHFFFAOYSA-N 281.399 4.435 10 40 CICB Cc1cc(C=O)c(C)n1-c1ccc(Cl)cc1Cl 2597453 NVSZVJYUMDEZHK-UHFFFAOYSA-N 268.143 4.213 10 40 CICB Cc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O 5764998 QZKRKMRVWWGTRU-UHFFFAOYSA-N 291.133 4.077 10 40 CICB Cc1cc(C)c2oc(-c3ccc(N(C)C)cc3)nc2c1 216878753 UJLDDGKYTCVQPC-UHFFFAOYSA-N 266.344 4.178 10 40 CICB Cc1ccc(C2=C/C(=C/c3ccc(F)cc3)C(=O)O2)c(C)c1 465424 ZTBKKSNQNHWPFL-GDNBJRDFSA-N 294.325 4.424 10 40 CICB Cc1cc(/N=N/c2cccc(Cl)c2)cc(C(=O)O)c1O 70461937 MBDFUAZWAKHDMS-WUKNDPDISA-N 290.706 4.468 10 40 CICB Cc1ccc2oc(-c3ccc(-n4cccc4)cc3O)nc2c1 226281896 LREZCHQDYRSTMK-UHFFFAOYSA-N 290.322 4.300 10 40 CICB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 4623295 SECYMZWHUFZRKC-QFSBIZTOSA-N 284.309 4.186 10 40 CICB CN(C)c1ccc(/N=N/c2ccc3[nH]cnc3c2)cc1 5542548 WFCWCGCKZSPYGF-VHEBQXMUSA-N 265.320 4.044 10 40 CICB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)NC1CC1 43189332 GUJSAIZMRBQLAU-FMQUCBEESA-N 280.331 4.386 10 40 CICB Cc1ccccc1-n1c(C)cc(CNCC(C)C)c1C 223665307 RFQGCNCTRCSVAB-UHFFFAOYSA-N 270.420 4.148 10 40 CICB Cc1cccc(/N=N\C(=S)NNc2cccc(C)c2)c1 18059134 RJPQZTBOTTVHMB-ZPHPHTNESA-N 284.388 4.289 10 40 CICB COc1cc(/N=N/c2c(C)cccc2C)cc(C=O)c1O 70461669 CRHFUYPJUYLSDD-ISLYRVAYSA-N 284.315 4.246 10 40 CICB CCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@@H]2C 223785809 DRAJNLVZDLHZKS-ZDUSSCGKSA-N 292.442 4.436 10 40 CICB COc1cc(/N=N/c2cccc(C)c2C)cc(C=O)c1O 70461666 KSWPHZONTUMQTI-ISLYRVAYSA-N 284.315 4.246 10 40 CICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1sccc1C 5123903 YKUMGCPORBSQGL-GDNBJRDFSA-N 296.395 4.171 10 40 CICB CN(C)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 18130275 NMTGSDIMWJJCNO-ISLYRVAYSA-N 268.364 4.234 10 40 CICB CSc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 222463170 UFQIKZBSRBTZBV-RVDMUPIBSA-N 294.375 4.390 10 40 CICB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1C(C)C 72216843 AICNTVHOENPUAE-GOSISDBHSA-N 297.446 4.425 10 40 CICB CCc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 4896185 YYXIZUNZQXHJHF-WUKNDPDISA-N 254.289 4.363 10 40 CICB Cc1c(N)ccc(/N=N/c2ccc(Cl)cc2)c1N 73740094 HLAXXSJABRIABD-ISLYRVAYSA-N 260.728 4.228 10 40 CICB c1cc2c3c(cccc3c1)NC(c1ccc3c(c1)OCO3)N2 66990 WEKCDNWFBRTZPK-UHFFFAOYSA-N 290.322 4.105 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccc(C)o3)C(=O)O2)c(C)c1 409058500 YAWBLWXRICCOON-NTEUORMPSA-N 280.323 4.186 10 40 CICB Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 4245203 JZIPVNHGWYQPCA-VBQJREDUSA-N 266.319 4.047 10 40 CICB Cc1ccc(NCc2cc(Cl)ccc2O)c(C)c1 19877483 DVBNHHPQGSKRLG-UHFFFAOYSA-N 261.752 4.275 10 40 CICB CC1=NN(c2ccccc2)C(=O)/C1=C\C=C/c1ccccc1 33248360 NBPIVZCAUUWNER-CHMCBKRWSA-N 288.350 4.049 10 40 CICB CC(C)c1ccc(CNc2ccc3c(c2)ncn3C)cc1 423341 JXYSKVHDCDWOKI-UHFFFAOYSA-N 279.387 4.309 10 40 CICB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccccc1 5939379 PVMYGMCAVCLSOQ-UHFFFAOYSA-N 291.350 4.162 10 40 CICB CN(C)c1ccc(/C=C/c2ccnc3ccc(O)cc23)cc1 6375055 FBKDSWPENPZMOO-ZZXKWVIFSA-N 290.366 4.177 10 40 CICB CN(C)c1ccc(C2=Nc3cccc4cccc2c34)cc1 2525033 XLSXEVYQWFXHKP-UHFFFAOYSA-N 272.351 4.388 10 40 CICB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 59267143 SECYMZWHUFZRKC-PSTGCABASA-N 284.309 4.186 10 40 CICB O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1 3030784 TZPSGDWUSVAMNF-KAMYIIQDSA-N 297.404 4.092 10 40 CICB COc1ccc(/N=N/c2c(C)nc3ccccn23)cc1 96191954 WYVXCQDMYWYLMD-ISLYRVAYSA-N 266.304 4.067 10 40 CICB CC(=O)Nc1ccc(/N=N\c2ccc(NC(C)=O)cc2)cc1 104071814 JLFZFBSUNFGETA-VXPUYCOJSA-N 296.330 4.019 10 40 CICB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(N)cc2)c1C 2553896 XFUDKUXVAJWWND-UHFFFAOYSA-N 297.789 4.392 10 40 CICB CC(=O)c1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1 2512818 RNRHBJABCXEMFQ-UHFFFAOYSA-N 295.382 4.143 10 40 CICB Cc1ccc(C)c(C2=C/C(=C/c3ccc(C)o3)C(=O)O2)c1 4832536 JAMRQAQBGZGTQK-ZROIWOOFSA-N 280.323 4.186 10 40 CICB CCCn1cnc2cc(NCc3ccccc3OC)ccc21 3907431 DWGNTEQXYWKHOP-UHFFFAOYSA-N 295.386 4.067 10 40 CICB Cc1ccc(C2=C/C(=C\c3ccccc3F)C(=O)O2)cc1 4832544 QARPGFDAMHCDCF-XNTDXEJSSA-N 280.298 4.115 10 40 CICB CCCCc1ccc(CO)n1Cc1ccc(Cl)cc1 226027125 ZAYXOGZPDFYNBZ-UHFFFAOYSA-N 277.795 4.025 10 40 CICB O=[N+]([O-])c1ccc(Cl)c(/N=N/c2ccccn2)c1 16931251 VCZROSUCYQOFOF-CCEZHUSRSA-N 262.656 4.059 10 40 CICB O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccccc21 4887394 JKKLCMHYJFHIOQ-UHFFFAOYSA-N 297.313 4.097 10 40 CICB CCCCN1CCCc2cc(CNC3CCCC3)ccc21 32919258 GLPVSIJNHICFLN-UHFFFAOYSA-N 286.463 4.272 10 40 CICB [N-]=[N+]=NCCCCCCCCCCCCP(=O)(O)O 96639847 WHRLXOVKIALVOF-UHFFFAOYSA-N 291.332 4.375 10 40 CICB CC(=S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 228965069 ZZAYDJKXWYOOEN-UHFFFAOYSA-N 272.213 4.462 10 40 CICB CCn1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21 13148149 NXEZIHQYSUPION-WJDWOHSUSA-N 288.350 4.154 10 40 CICB CCNC(=S)Nc1ccc(/N=N\c2ccccc2)cc1 100834530 XQZZZAGFODXTIX-HNENSFHCSA-N 284.388 4.408 10 40 CICB Cc1ccc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)cc1 409051750 CILVYKJDIYZBFW-XNTDXEJSSA-N 280.298 4.115 10 40 CICB Cc1[nH]cnc1CSCCCCCc1ccccc1 2049883 CFHMLLOGBDCSFP-UHFFFAOYSA-N 274.433 4.364 10 40 CICB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C\[N+](=O)[O-])cc21 208467312 SHBWDTPWNAWWBM-WAYWQWQTSA-N 292.766 4.219 10 40 CICB O=C(O)c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 2578387 UOJZJSJJYHNEDI-KYJSFNMBSA-N 291.350 4.211 10 40 CICB O=C(O)c1cc(/N=N/c2ccccc2Cl)ccc1O 70461934 IYQYKYVRHIFUJM-FOCLMDBBSA-N 276.679 4.159 10 40 CICB CCNCc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C 223799378 PNNGOGYGPGSYKW-UHFFFAOYSA-N 272.436 4.206 10 40 CICB CCCNCc1cc(C)n(-c2cc(C)ccc2C)c1C 223667356 OCPUJEZUSUPIBP-UHFFFAOYSA-N 270.420 4.211 10 40 CICB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 226790562 QJIVRVQJJOTRKJ-CKEIUWERSA-N 292.338 4.421 10 40 CICB Cc1nc(N)nc(C)c1/N=N\c1cccc(Cl)c1Cl 104116268 UYZIYQUWJJQMMP-HNENSFHCSA-N 296.161 4.398 10 40 CICB CCCNCc1cc(C)n(-c2ccc(C)c(C)c2)c1C 223667969 ILTPEFDCSHGIED-UHFFFAOYSA-N 270.420 4.211 10 40 CICB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccccc1 9280353 IQWNCEGRVCIDES-UHFFFAOYSA-N 297.379 4.223 10 40 CICB Nc1ccc2c(c1)/C(=C/c1cccnc1)c1ccccc1-2 17376312 ZWYUFWNKPCVDMB-VCHYOVAHSA-N 270.335 4.233 10 40 CICB CCC1(c2cc(C)c(C)c(C)c2)C(=O)c2ccccc2C1=O 33704255 HYYWOLKYODNMEL-UHFFFAOYSA-N 292.378 4.339 10 40 CICB CC(C)NCc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C 260717063 HXNSHRXDRLEZAD-GFCCVEGCSA-N 278.415 4.046 10 40 CICB COc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 19964834 ZIEMFADKSTYQJC-UHFFFAOYSA-N 298.169 4.320 10 40 CICB CCOc1cccc(CNc2ccc(C)c(Cl)c2)c1O 19900730 VFSYHHGDTYEXSI-UHFFFAOYSA-N 291.778 4.365 10 40 CICB Oc1ccccc1CNCC12CCC3C[C@@H](C[C@H](C3)C1)C2 100667655 RDUIUKQNFFCBDQ-IOSXPMGOSA-N 285.431 4.088 10 40 CICB Cc1c(C)c(C)c(C2C(=O)c3ccccc3C2=O)c(C)c1C 100674079 IWSKRZXBKWPCOY-UHFFFAOYSA-N 292.378 4.392 10 40 CICB Cc1ccc(-n2c(C)cc(CNCC(C)C)c2C)c(C)c1 223666928 AHYYICHXXQPVRQ-UHFFFAOYSA-N 284.447 4.457 10 40 CICB Cc1ccc(C)c(/N=N/c2n(C)c3ccccc3[n+]2C)c1 4797964 GRORZEXPRWADQO-UHFFFAOYSA-N 279.367 4.035 10 40 CICB COc1ccc(/N=N/c2cc(C)c(C)cc2O)cc1 18068008 BYJKVZBYSHTWOC-WUKNDPDISA-N 256.305 4.433 10 40 CICB Cc1ccc(C2=C/C(=C/c3ccccc3)C(=O)O2)cc1C 464489 JWWOPKBAQARYMQ-BOPFTXTBSA-N 276.335 4.285 10 40 CICB Oc1oc(-c2ccccc2)nc1/N=N/c1ccccc1 15227409 DSKDWWBZKZSSOJ-ISLYRVAYSA-N 265.272 4.463 10 40 CICB Cc1ccc(-n2c(C)cc(CNCC(C)C)c2C)cc1C 223668143 RYQWHXANISOPMS-UHFFFAOYSA-N 284.447 4.457 10 40 CICB Nc1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 20278485 PZQAGNIRHGUFJG-UHFFFAOYSA-N 262.312 4.123 10 40 CICB Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)n1 18122153 VRNISOXPCNGGKQ-UHFFFAOYSA-N 283.158 4.015 10 40 CICB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1 102573145 GQHFIVGTWPLPLR-VBKFSLOCSA-N 293.395 4.206 10 40 CICB Oc1ccccc1CNc1ccc(C(F)(F)F)cc1 19909832 JMFLWBDLEODYRX-UHFFFAOYSA-N 267.250 4.023 10 40 CICB Clc1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 33482718 UFHMZCTUFNRIAE-CUFDPUGPSA-N 283.802 4.493 10 40 CICB CCc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 32193815 VQYAVAQDGYEXQL-AQTBWJFISA-N 290.366 4.055 10 40 CICB CCOc1ccc(NCc2cc(Cl)ccc2O)cc1 19902345 NAVMCBBDONTUEW-UHFFFAOYSA-N 277.751 4.056 10 40 CICB CCN1c2cc(C)c(/C=C\[N+](=O)[O-])cc2[C@@H](C)CC1(C)C 223583807 SIIJKTRFKPNWEV-WSROAFLRSA-N 288.391 4.355 10 40 CICB Cc1ccc(C(=O)C(=O)c2ccc(Cl)cc2)c(Cl)c1 409193828 FPXKKUOARIKNKI-UHFFFAOYSA-N 293.149 4.367 10 40 CICB Cc1cc2c(cc1C)-c1nc3ccccc3cc1C2=O 1055242 FEVLNSVCIUJPQZ-UHFFFAOYSA-N 259.308 4.063 10 40 CICB Cc1ccc(C2=C/C(=C/c3cccs3)C(=O)O2)cc1 4852848 KRDAWDXKSJNIAI-LCYFTJDESA-N 268.337 4.038 10 40 CICB CC[C@H](c1ccccc1)[C@H](CC)c1cc(O)c(O)c(O)c1 1670149 ISDIKFNVTHSTFC-HUUCEWRRSA-N 286.371 4.491 10 40 CICB Cc1cccc(C(=O)C(=O)c2ccc(C)cc2Cl)c1 409201109 VIHTXBWJWMCHIG-UHFFFAOYSA-N 272.731 4.022 10 40 CICB Cc1nn(C(=S)S)c(C)c1/N=N/c1cccc(F)c1 18156048 ODPJNCQUIOHKGK-CCEZHUSRSA-N 294.380 4.117 10 40 CICB Cc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1 3156117 UGEBDUKHFONOJC-PTNGSMBKSA-N 279.364 4.056 10 40 CICB CCOc1cccc(CNc2cccc(Cl)c2)c1O 19920372 IODWCZBCMZTZQK-UHFFFAOYSA-N 277.751 4.056 10 40 CICB c1cc(N2CCCC2)ccc1CNC1CCCCCCC1 7365243 JENUAWVXWRKVTP-UHFFFAOYSA-N 286.463 4.489 10 40 CICB CCN(CC)Cc1cc2c(cc1O)c1ccccc1n2CC 1873884 IRZVSAUWLJLTLH-UHFFFAOYSA-N 296.414 4.362 10 40 CICB CCCCCCN1C(=O)/C(=C/c2ccco2)SC1=S 2666827 UNDVCYUJAYGSFB-BENRWUELSA-N 295.429 4.061 10 40 CICB Cc1ccc2c(Oc3ccc(N)cc3)ccnc2c1C 64875296 SHPZZAKAUPOMFE-UHFFFAOYSA-N 264.328 4.226 10 40 CICB CCN1c2cc(F)c(CNC(C)C)cc2[C@H](C)CC1(C)C 260719818 NCCINEMBGPVNPG-CYBMUJFWSA-N 292.442 4.436 10 40 CICB Cc1ccc(C)n1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2661450 ZMCBSVQFLLAFLA-UHFFFAOYSA-N 284.237 4.021 10 40 CICB CC(C)c1ccc2oc(Cc3ccc(N)cc3)nc2c1 62719903 NLYHTGUYDDNCCZ-UHFFFAOYSA-N 266.344 4.124 10 40 CICB CCCCNCc1cc(C)n(-c2ccccc2C)c1C 223665222 CXDJWBAKWANKQV-UHFFFAOYSA-N 270.420 4.292 10 40 CICB CCN(CC)c1ccc(CNc2ccc(OC)cc2)cc1 360725 VMFYYJSEDDNXGK-UHFFFAOYSA-N 284.403 4.154 10 40 CICB CCCN1c2cc(F)c(CNC)cc2[C@@H](C)CC1(C)C 223783510 YYDWXPKIBKLFHI-LBPRGKRZSA-N 278.415 4.047 10 40 CICB COc1ccc(/N=N\N(C)/N=N\c2ccc(OC)cc2)cc1 104211198 BOOKCMGKPJDYTB-YGGBKCGDSA-N 299.334 4.333 10 40 CICB Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8703690 HRFQDYIICCKGEN-UHFFFAOYSA-N 268.143 4.155 10 40 CICB Cc1ccc(N/C=C2/C=C(c3ccccc3)OC2=O)c(C)c1 100114026 SJKLDHIWOJHTOR-VBKFSLOCSA-N 291.350 4.197 10 40 CICB CCN1c2cc(Cl)c(CNC)cc2C(C)=CC1(C)C 223797941 RACBYWHKXJJSDR-UHFFFAOYSA-N 278.827 4.081 10 40 CICB Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1 421778 MLCOGORERKDZTI-UHFFFAOYSA-N 287.366 4.444 10 40 CICB CCC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)cc1 78506774 CSJQZWMWLFTZQB-UHFFFAOYSA-N 282.387 4.209 10 40 CICB Nc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)cc1 1504250416 KODBWZAETVVUHR-UHFFFAOYSA-N 289.203 4.358 10 40 CICB CC(C)(C)c1cc(C[N+](C)(C)[O-])c(O)c(-c2ccccc2)c1 1592046 LPMBMOLVAXZNDK-UHFFFAOYSA-N 299.414 4.431 10 40 CICB CCc1ccc(/N=N/c2ccc(CC(=O)O)cc2)cc1 4896184 OWWGSXLTWVZPDN-ISLYRVAYSA-N 268.316 4.292 10 40 CICB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 4003770 KNVXGCLOJCOJNO-VKJFTORMSA-N 262.356 4.217 10 40 CICB CCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5010078 NQCJVKCITQKLQV-GXDHUFHOSA-N 299.420 4.061 10 40 CICB CCN(CC)c1ccc(CNCc2ccc(C)cc2)cc1 6869698 BLWRZGJCLAODGR-UHFFFAOYSA-N 282.431 4.131 10 40 CICB CCCNCc1cc(C)n(-c2cc(C)cc(C)c2)c1C 223668588 ZPLPHXBYDINZEC-UHFFFAOYSA-N 270.420 4.211 10 40 CICB CCN1c2cc(Cl)c(CNC)cc2[C@H](C)CC1(C)C 260726563 ZDPFORIITXVJNE-LLVKDONJSA-N 280.843 4.172 10 40 CICB CCNCc1cc2c(cc1F)N(C(C)C)C(C)(C)C[C@H]2C 260714663 DRAJNLVZDLHZKS-CYBMUJFWSA-N 292.442 4.436 10 40 CICB Cc1ccc(C)c(C2=C/C(=C\c3ccc(F)cc3)C(=O)O2)c1 4713884 PZHDUDISYUZPPS-XNTDXEJSSA-N 294.325 4.424 10 40 CICB CCCCNCc1cc(C)n(-c2cccc(C)c2)c1C 223665756 FFIMZDBSTNMHBF-UHFFFAOYSA-N 270.420 4.292 10 40 CICB CCCN1c2cc(C)c(CNC)cc2C(C)=CC1(C)C 223797628 FGAFEPRFCWUVNM-UHFFFAOYSA-N 272.436 4.126 10 40 CICB Cc1ccc(C)n1-c1cccc(NC(=O)[C@H]2CC=CCC2)c1 12527593 HPWHFVFWQYDBOW-INIZCTEOSA-N 294.398 4.389 10 40 CICB Fc1cc(F)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 4004310 NJZHEQOUHLZCOX-XEZPLFJOSA-N 284.309 4.186 10 40 CICB CCOC(=O)/N=[N+](\[O-])c1c(Cl)cc(Cl)cc1Cl 5795697 QRWOYCXSEHNGKM-YPKPFQOOSA-N 297.525 4.397 10 40 CICB COc1cccc(/N=N\c2ccc(N(C)C)cc2)c1 101481749 BGKFVSREYGJGDU-MSUUIHNZSA-N 255.321 4.177 10 40 CICB CC(C)(C)c1ccc(O)c(CNc2ccccc2)c1 1679629 HHMAIDLFFRHEBW-UHFFFAOYSA-N 255.361 4.302 10 40 CICB O=C(O)c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 409163781 XULBOKCAPBYSLI-XAYKYTGQSA-N 291.350 4.211 10 40 CICB CCCN1CCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1 72216763 JYJOGUAZKGSRJC-QGZVFWFLSA-N 283.419 4.036 10 40 CICB Cc1cc(O)c(CN(C)C(C2CC2)C2CC2)cc1C(C)C 60374530 HLHWEKLNJIGBSO-UHFFFAOYSA-N 287.447 4.444 10 40 CICB Cc1c(F)cccc1NCc1cc(Cl)ccc1O 40477087 RJXVUMQYOFEDTB-UHFFFAOYSA-N 265.715 4.105 10 40 CICB CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1F 1708148 YACXNWMNSRGMFV-RVDMUPIBSA-N 265.331 4.459 10 40 CICB CCOc1cccc(CNc2cc(F)ccc2Cl)c1O 44836412 LSQCKHVBBIZCKF-UHFFFAOYSA-N 295.741 4.196 10 40 CICB Cc1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1C 70461673 ZNEWRJZHGACGQN-ISLYRVAYSA-N 284.315 4.431 10 40 CICB Oc1ccc(Cl)cc1CNc1ccc2c(c1)CCC2 19913904 KDQIUEPVCPOERE-UHFFFAOYSA-N 273.763 4.146 10 40 CICB O=C1c2ccccc2C(=O)[C@@H]2CC(c3ccccc3)=CC[C@H]12 1670421 GRMBYWZIMSNRJK-ZWKOTPCHSA-N 288.346 4.175 10 40 CICB Cc1cccc(C)c1/N=N/c1ccc(O)c(C(=O)O)c1 70461634 JXEABZONWLXTES-WUKNDPDISA-N 270.288 4.123 10 40 CICB Cc1ccn2c(NC3CCCC3)c(-c3ccccn3)nc2c1 3909846 OKWATJBOXAIVRM-UHFFFAOYSA-N 292.386 4.059 10 40 CICB Cc1ccc(-c2ccoc2)n1-c1ccc(N(C)C)cc1 228977205 VSYWYQDWDBFCCN-UHFFFAOYSA-N 266.344 4.112 10 40 CICB O=[N+]([O-])c1ccc(C(=S)SCc2ccccc2)cc1 18194573 UTWYMFPTRLNCJX-UHFFFAOYSA-N 289.381 4.204 10 40 CICB Cc1c2ccc3ccccc3c2c(C)[n+]2ccccc12 1694552 CVPSFERDJOOERH-UHFFFAOYSA-N 258.344 4.349 10 40 CICB Fc1cccc(-c2nc(CSc3nccs3)co2)c1 64669682 LNAPRLKAEZIJIZ-UHFFFAOYSA-N 292.360 4.230 10 40 CICB