smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C 408741389 LPZFNHCFHCNKSG-UHFFFAOYSA-N 225.335 4.354 10 40 BICB Cc1ccccc1/N=N\c1ccc(N(C)C)cc1 17417419 PREOKNMPMCPQQJ-MSUUIHNZSA-N 239.322 4.476 10 40 BICB Oc1ccc(/N=N/c2ccccc2)c2cccnc12 4615509 NZQIIFNACVSQRR-ISLYRVAYSA-N 249.273 4.356 10 40 BICB Cc1cccc(/N=N\c2ccc(O)cc2)c1 104164381 LQDFBFVNDDEUKX-PFONDFGASA-N 212.252 4.116 10 40 BICB Fc1cccc(/N=N/c2cccc(F)c2)c1 17747999 XGZUVWDFPZDZAQ-FOCLMDBBSA-N 218.206 4.380 10 40 BICB Cc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 4461716 ILLZCQXUVXWGJA-CCEZHUSRSA-N 241.250 4.319 10 40 BICB Cc1cc(N)cc(C)c1/N=N/c1ccccc1 4774656 RZXFJQNRAWHUEQ-WUKNDPDISA-N 225.295 4.301 10 40 BICB CNc1c(F)cc(/N=N\c2ccccc2)cc1F 100384606 VZGZLQJLFUOMCL-ZCXUNETKSA-N 247.248 4.422 10 40 BICB Cc1ccc(/N=N\c2ccc(O)c(C)c2)cc1 104054197 RETCZAAFRITJJI-NXVVXOECSA-N 226.279 4.424 10 40 BICB Oc1cc(F)c(N=Nc2ccccc2)c(F)c1 575173430 QCERIHYOBHOMHJ-UHFFFAOYSA-N 234.205 4.086 10 40 BICB Oc1cc(F)c(/N=N/c2ccccc2)c(F)c1 100503925 QCERIHYOBHOMHJ-FOCLMDBBSA-N 234.205 4.086 10 40 BICB Oc1ccc(/N=N/c2ccccc2)c(Cl)c1 71782239 NWHMKVWNPUOHSV-CCEZHUSRSA-N 232.670 4.461 10 40 BICB CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1 15768717 HXVZHTQDVDNJMN-SSZFMOIBSA-N 247.341 4.320 10 40 BICB Fc1ccc(/N=N/c2ccccc2)cc1 3852702 GZMHQJVQKFZDLR-CCEZHUSRSA-N 200.216 4.241 10 40 BICB CN(C)c1ccc(/C=C2/C=Nc3ccccc32)cc1 17353687 YSSVLUSGKRKKOV-KAMYIIQDSA-N 248.329 4.009 10 40 BICB Nc1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1 98179754 YEYYEANBVVPSRQ-FOCLMDBBSA-N 247.685 4.043 10 40 BICB Cc1cc(O)c(/N=N\c2ccccc2)cc1C 13856278 SPEPVWIRTRUBBB-NXVVXOECSA-N 226.279 4.424 10 40 BICB CCc1ccc(/N=N\c2ccc(N)cc2)cc1 104081833 ILVYMULTJBGCNF-MSUUIHNZSA-N 225.295 4.247 10 40 BICB O=[N+]([O-])c1cccc(/N=N/c2ccccc2)c1 17013300 YDVWTPOYERGSCU-BUHFOSPRSA-N 227.223 4.010 10 40 BICB CN(N=O)c1ccc(/N=N\c2ccccc2)cc1 104245527 YKCOXSGBLMSJLH-PFONDFGASA-N 240.266 4.220 10 40 BICB Fc1cccc(/N=N\c2cccc(F)c2)c1 100349229 XGZUVWDFPZDZAQ-NXVVXOECSA-N 218.206 4.380 10 40 BICB Cc1cc(N(C)C)ccc1/N=N\c1ccccc1 3861024 QXTOLYZIJUDOIT-MSUUIHNZSA-N 239.322 4.476 10 40 BICB COc1cccc(/N=N\c2cccc(OC)c2)c1 104343834 WCZZYXNUCFSFDX-NXVVXOECSA-N 242.278 4.119 10 40 BICB CCc1ccc(O)c(/N=N/c2ccccc2)c1 5877418 CTVADTSNUUHIPU-FOCLMDBBSA-N 226.279 4.370 10 40 BICB Cc1nc2ccc(-n3c(C)ccc3C)cc2s1 1098259 VAQWONMDBMDPLN-UHFFFAOYSA-N 242.347 4.012 10 40 BICB Clc1ccc(/N=N\c2ccccn2)cc1 104149083 SWWILIMFRGAWGS-PFONDFGASA-N 217.659 4.150 10 40 BICB Nc1ccc(Nc2ccc3ccccc3c2)cc1 1669782 MNDJKTIGCWCQIG-UHFFFAOYSA-N 234.302 4.166 10 40 BICB Cc1cc(/N=N/c2ccccc2)ccc1O 18101898 YJHZQWSSAFUAIG-CCEZHUSRSA-N 212.252 4.116 10 40 BICB Cc1cc(/N=N\c2ccccc2C)ccc1N 100075200 PFRYFZZSECNQOL-MSUUIHNZSA-N 225.295 4.301 10 40 BICB COc1ccc(/N=N\c2ccccc2)cc1 100012896 LGCRPKOHRIXSEG-PFONDFGASA-N 212.252 4.111 10 40 BICB Cc1ccc(/N=N/c2ccc(O)c(C)c2)cc1 104054203 RETCZAAFRITJJI-FOCLMDBBSA-N 226.279 4.424 10 40 BICB S=C(Cc1cccc(Cl)c1)c1ccccc1 239562624 GQHPPTCCBDKJGC-UHFFFAOYSA-N 246.762 4.301 10 40 BICB CC(=O)c1ccc(/N=N/c2ccc(O)cc2)cc1 3894590 WSJNBEDQXYXNRE-FOCLMDBBSA-N 240.262 4.010 10 40 BICB C/C(=C/c1ccccc1)c1ccc2c(c1)CCN2C 2480968 GOIRTNHLSVEQQC-OWBHPGMISA-N 249.357 4.239 10 40 BICB biogenic Nc1ccc(Oc2cccc3ccccc23)cc1 335315 PYGYJLHOEOYGIA-UHFFFAOYSA-N 235.286 4.214 10 40 BICB Cc1oc(-c2ccc(Cl)cc2)nc1CN=[N+]=[N-] 71417458 APSFPRRLYJLLEB-UHFFFAOYSA-N 248.673 4.114 10 40 BICB Cc1ccc(-c2ccc(C)n2-c2ccccc2)o1 199761334 HKEUDOHNGCPCHF-UHFFFAOYSA-N 237.302 4.354 10 40 BICB CC(=O)Nc1ccccc1N=Nc1ccccc1 245240878 USPKSFLYOCGZTF-UHFFFAOYSA-N 239.278 4.060 10 40 BICB Cc1ccc(/N=[N+](/[O-])c2ccc(C)cc2)cc1 101183820 SDCOJRCIBWCATN-FOCLMDBBSA-N 226.279 4.229 10 40 BICB Cc1ccc(-c2ccccc2)n1-c1ccccc1 1592760 RLDRAUJFJHRQAE-UHFFFAOYSA-N 233.314 4.453 10 40 BICB CN(C)/N=N/c1ccc(Oc2ccccc2)cc1 306265 MLBJCWMBHRMYMV-FOCLMDBBSA-N 241.294 4.039 10 40 BICB Oc1ccc(/N=N\c2ccc(Cl)cc2)cc1 101146770 MNNLUFVMZSSCJT-PFONDFGASA-N 232.670 4.461 10 40 BICB ON(/N=N/c1ccc(Cl)cc1)c1ccccc1 18044428 HIPYNQOEOFLFTP-CCEZHUSRSA-N 247.685 4.235 10 40 BICB [N-]=[N+]=NCCCCCCCCCCCCO 199609133 VFIPTPJYKXUCKR-UHFFFAOYSA-N 227.352 4.190 10 40 BICB CNc1ccc(N=Nc2ccccc2)cc1 242463772 DKOXITJAUZNAPK-UHFFFAOYSA-N 211.268 4.144 10 40 BICB Clc1ccc(/N=N\Nc2ccccc2)cc1 18126993 JYGGBOOYHIFDNK-UHFFFAOYSA-N 231.686 4.451 10 40 BICB CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 101266843 WSHHPNYAXLDUTG-MSUUIHNZSA-N 239.278 4.060 10 40 BICB O=[N+]([O-])c1ccc(N=Nc2ccccc2)cc1 254365173 TZTDJBMGPQLSLI-UHFFFAOYSA-N 227.223 4.010 10 40 BICB [N-]=[N+]=NC1c2ccccc2-c2ccccc21 4913701 POJUGTQVVISLBM-UHFFFAOYSA-N 207.236 4.067 10 40 BICB in-vitro Oc1ccc2ccccc2c1CNc1ccccc1 1679824 ONZQZPLUYZQTIB-UHFFFAOYSA-N 249.313 4.158 10 40 BICB O=[N+]([O-])c1cccc(/N=N\c2ccccc2)c1 100172677 YDVWTPOYERGSCU-YPKPFQOOSA-N 227.223 4.010 10 40 BICB Cc1cc(/N=N\c2ccccc2)c(C)cc1O 101954010 OZBDUTKSQPNBAG-NXVVXOECSA-N 226.279 4.424 10 40 BICB CC(C)c1ccc(CNc2ccc(O)cc2)cc1 359737 LUSPRVZFGGKPQT-UHFFFAOYSA-N 241.334 4.128 10 40 BICB Oc1ccc(/N=N/c2ccccn2)c2ccccc12 5162795 PHXBEBHRRKEUOJ-ISLYRVAYSA-N 249.273 4.356 10 40 BICB CN(C)c1ccc(/C=C2\C=Nc3ccccc32)cc1 1724265 YSSVLUSGKRKKOV-SDNWHVSQSA-N 248.329 4.009 10 40 BICB COc1ccc(N=Nc2ccccc2)cc1 3852700 LGCRPKOHRIXSEG-UHFFFAOYSA-N 212.252 4.111 10 40 BICB biogenic Fc1ccc(/N=N/c2ccc(F)cc2)cc1 18115565 LPEOJAQIOYPHTK-FOCLMDBBSA-N 218.206 4.380 10 40 BICB O=[N+]([O-])c1ccc(/N=N\c2ccccc2)cc1 100172111 TZTDJBMGPQLSLI-YPKPFQOOSA-N 227.223 4.010 10 40 BICB Oc1ccc(/N=N/c2ccccc2)c(F)c1F 95917764 MELBVUPITCGHMO-FOCLMDBBSA-N 234.205 4.086 10 40 BICB CCc1ccc(/N=N/c2cccn2C)cc1 20064340 WNNZBOMSNSMFST-CCEZHUSRSA-N 213.284 4.003 10 40 BICB Cc1ccc(C)c(/N=N\c2ccc(O)cc2)c1 104135503 SZMBWRNOKVQLLA-NXVVXOECSA-N 226.279 4.424 10 40 BICB Cc1ccc(O)c(/N=N\c2ccccc2)c1 12583114 NJOXSODFMZIZJD-PFONDFGASA-N 212.252 4.116 10 40 BICB Cc1ccccc1/N=[N+](/[O-])c1ccccc1C 4582681 ROMBIGIVDIQGKC-FOCLMDBBSA-N 226.279 4.229 10 40 BICB Nc1ccc(/N=N/c2ccccc2)cc1Cl 15022328 HUPIUXCRWNHLFL-FOCLMDBBSA-N 231.686 4.338 10 40 BICB Cc1c2ccc3ccccc3c2c[n+]2ccccc12 1646226 JHWCLILAQMZVGV-UHFFFAOYSA-N 244.317 4.040 10 40 BICB CCCCCC[C@@H](C)Oc1ccc(N)cc1 8702440 JSYDPCYIYRIHNW-GFCCVEGCSA-N 221.344 4.007 10 40 BICB Cc1ccc(C)n1-c1ccccc1C(F)(F)F 4003868 RXYYBCWWVVOBNE-UHFFFAOYSA-N 239.240 4.113 10 40 BICB C1CC2(/N=N/C34CCC(CC3)C4)CCC1C2 3852271 IXLUXTNJLVDWEZ-FOCLMDBBSA-N 218.344 4.104 10 40 BICB COc1ccccc1/N=N\c1ccc(F)cc1 100854690 WLPXKBDIFKEXPI-NXVVXOECSA-N 230.242 4.250 10 40 BICB C[C@]12CC3CC(N=[N+]=[N-])(C1)C[C@](C)(C3)C2 102205994 YRFQAPSVRBSXEB-BFUDSRACSA-N 205.305 4.046 10 40 BICB CCC(=S)c1ccc(Cl)c(Cl)c1 228960970 ANGOROJTGXAHEL-UHFFFAOYSA-N 219.136 4.121 10 40 BICB Cc1ccccc1N=Nc1ccc(N(C)C)cc1 254408370 PREOKNMPMCPQQJ-UHFFFAOYSA-N 239.322 4.476 10 40 BICB CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1 1507302 HXVZHTQDVDNJMN-DTQAZKPQSA-N 247.341 4.320 10 40 BICB c1cc2c3c(cccc3c1)NC1(CCCCC1)N2 301915 KMAVVPHOTMNZLL-UHFFFAOYSA-N 238.334 4.338 10 40 BICB Cc1cc(/N=N\c2ccccc2)ccc1O 102094846 YJHZQWSSAFUAIG-PFONDFGASA-N 212.252 4.116 10 40 BICB CC(C)c1cccc(Oc2ccc(N)cc2)c1 11804874 COTFNJSMXMSJJY-UHFFFAOYSA-N 227.307 4.185 10 40 BICB Cc1cccc(/N=N/c2ccc(O)cc2)c1 18022215 LQDFBFVNDDEUKX-CCEZHUSRSA-N 212.252 4.116 10 40 BICB CC(C)c1ccccc1Oc1ccc(N)cc1 4227350 IURPDABVLJUJCT-UHFFFAOYSA-N 227.307 4.185 10 40 BICB Cc1ccc(-c2ccoc2)n1-c1ccccc1 199760487 IFVRWPJRQLKZKM-UHFFFAOYSA-N 223.275 4.046 10 40 BICB Cc1cc(O)ccc1/N=N\c1ccccc1 104174755 AXGXXLOKNNMCHP-PFONDFGASA-N 212.252 4.116 10 40 BICB COc1ccccc1/N=N/c1ccccc1OC 18140158 ZTPNMRWLUKXJDI-FOCLMDBBSA-N 242.278 4.119 10 40 BICB C[N+](C)(C)c1ccc(/N=N/c2ccccc2)cc1 6068181 CSBCSRPWHQQFCU-WUKNDPDISA-N 240.330 4.299 10 40 BICB Oc1ccc(Cl)cc1/N=N/c1ccccc1 100582049 ZBBOGIUGWCKAPL-CCEZHUSRSA-N 232.670 4.461 10 40 BICB Clc1cccc(N/N=N\c2ccccc2)c1 18126612 HUZZDWAHXNAYPL-UHFFFAOYSA-N 231.686 4.451 10 40 BICB Oc1ccc(/N=N\c2ccccc2)c(F)c1F 15443011 MELBVUPITCGHMO-NXVVXOECSA-N 234.205 4.086 10 40 BICB Cc1ccc(/N=N\c2ccc(C(=O)O)cc2)cc1 100251304 QLDZCYQMESNYHX-NXVVXOECSA-N 240.262 4.109 10 40 BICB C/C=C(/c1ccccc1)c1ccc(N(C)C)cc1 5498594 SDCSWPCCJHOOHH-INGKJJEOSA-N 237.346 4.204 10 40 BICB Cc1oc(-c2cccc(Cl)c2)nc1CN=[N+]=[N-] 67172478 JCVPTWPMIOKCAP-UHFFFAOYSA-N 248.673 4.114 10 40 BICB CC(=O)Nc1ccc(/N=N/c2ccccc2)s1 4350669 ZVWAGQIPCUJOEU-CCEZHUSRSA-N 245.307 4.122 10 40 BICB Nc1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 4255790 PVRTWDFSYVNPBN-UHFFFAOYSA-N 241.378 4.028 10 40 BICB Oc1ccc(/N=N/c2ccc(Cl)cc2)cc1O 17835962 LRXYXWXDAXRCMG-CCEZHUSRSA-N 248.669 4.167 10 40 BICB Oc1ccc(/N=N\c2ccccc2)cc1Cl 100460088 UWKOOOMCKYNLFU-PFONDFGASA-N 232.670 4.461 10 40 BICB CN(C)c1ccc(/N=N/c2ccc(F)cc2)cc1 3874055 OQJQPXJGJJPOEK-WUKNDPDISA-N 243.285 4.307 10 40 BICB CC(C)c1ccc(Oc2ccc(N)cc2)cc1 4227348 BPSFDLNXDUBTKE-UHFFFAOYSA-N 227.307 4.185 10 40 BICB Oc1ccc(Cl)cc1/N=N\c1ccccc1 18126698 ZBBOGIUGWCKAPL-PFONDFGASA-N 232.670 4.461 10 40 BICB CC(C)c1cccc(NCc2ccccc2O)c1 20136508 DVSZWQCVAIGIJS-UHFFFAOYSA-N 241.334 4.128 10 40 BICB Cc1cccc(-c2ccc(C)n2-c2ccccc2)n1 199761359 HQJWWICVBFJOPX-UHFFFAOYSA-N 248.329 4.156 10 40 BICB Cc1cc(N(C)C)ccc1N=Nc1ccccc1 12405019 QXTOLYZIJUDOIT-UHFFFAOYSA-N 239.322 4.476 10 40 BICB Cc1cccc(N=Nc2ccc(N(C)C)cc2)c1 254757362 LVTFSVIRYMXRSR-UHFFFAOYSA-N 239.322 4.476 10 40 BICB CC(=O)Oc1ccc(/N=N\c2ccccc2)cc1 104213087 QOHYVYQZOGGMRN-NXVVXOECSA-N 240.262 4.027 10 40 BICB Oc1ccc(/N=N\c2ccc(Cl)cc2)cc1O 104252010 LRXYXWXDAXRCMG-PFONDFGASA-N 248.669 4.167 10 40 BICB Clc1ccccc1/N=N\c1ccccn1 84460153 PBUSWBVETQKXIR-PFONDFGASA-N 217.659 4.150 10 40 BICB COc1ccccc1/N=N/c1ccc(F)cc1 76495251 WLPXKBDIFKEXPI-FOCLMDBBSA-N 230.242 4.250 10 40 BICB Cc1cc(C)n(-c2ccc(Cl)cc2)c1C 78582788 HVVXUFWJZRBTFY-UHFFFAOYSA-N 219.715 4.056 10 40 BICB Oc1c(N=Nc2ccccn2)ccc2ccccc12 253915586 DKWJRBBUVAQOAC-UHFFFAOYSA-N 249.273 4.356 10 40 BICB CCN(Cc1ccccc1)/N=N/c1ccccc1 100324632 WCAHCDCHLQQQPO-WUKNDPDISA-N 239.322 4.207 10 40 BICB Cc1ccc(C)n1-c1ccc(C(C)(C)C)cc1 1005787 WKKSEVXSFNORKN-UHFFFAOYSA-N 227.351 4.392 10 40 BICB Nc1ccc(/N=N\c2ccncc2)c2ccccc12 104228945 NXJYVHAHVIQTHN-HNENSFHCSA-N 248.289 4.232 10 40 BICB CCN(Cc1ccccc1)/N=N\c1ccccc1 18101828 WCAHCDCHLQQQPO-MSUUIHNZSA-N 239.322 4.207 10 40 BICB Clc1ccc(/N=N/c2ccccn2)cc1 17001613 SWWILIMFRGAWGS-CCEZHUSRSA-N 217.659 4.150 10 40 BICB Cc1ccccc1/N=[N+](\[O-])c1ccccc1C 100259204 ROMBIGIVDIQGKC-NXVVXOECSA-N 226.279 4.229 10 40 BICB Cc1ccc(C)n1-c1cc(Cl)cc(Cl)c1 2575170 PZQGRGDARNXLSP-UHFFFAOYSA-N 240.133 4.401 10 40 BICB Cc1c2c(ccc3ccccc32)c[n+]2ccccc12 17300936 XUEPATQPGXLRKQ-UHFFFAOYSA-N 244.317 4.040 10 40 BICB [N-]=[N+]=NCCCCCCCCCCCCN 1542984428 MHPWGOPTYQFQCY-UHFFFAOYSA-N 226.368 4.156 10 40 BICB Cc1cc(C=O)c(C)n1-c1cccc(C(C)C)c1 20285301 QQBPJAOBKVRDRG-UHFFFAOYSA-N 241.334 4.030 10 40 BICB Fc1cccc(N=Nc2cccc(F)c2)c1 245241094 XGZUVWDFPZDZAQ-UHFFFAOYSA-N 218.206 4.380 10 40 BICB Cc1cc(C=O)c(C)n1-c1ccc(C(C)C)cc1 5587453 PDMHHKSGMABDFI-UHFFFAOYSA-N 241.334 4.030 10 40 BICB Cc1cc(C=O)c(C)n1-c1ccccc1C(C)C 5587484 ATOBRXCEWGSTPK-UHFFFAOYSA-N 241.334 4.030 10 40 BICB Fc1ccc(N=Nc2ccccc2)cc1 245239263 GZMHQJVQKFZDLR-UHFFFAOYSA-N 200.216 4.241 10 40 BICB CC(C)(C)c1cccc(Oc2ccc(N)cc2)c1 14630139 NHFNZSYJILMERN-UHFFFAOYSA-N 241.334 4.359 10 40 BICB CN(N=O)c1ccc(/N=N/c2ccccc2)cc1 18213379 YKCOXSGBLMSJLH-CCEZHUSRSA-N 240.266 4.220 10 40 BICB Cc1c(Cl)cccc1-n1c(C)ccc1C 2653470 SSUQWNMYUNHDNV-UHFFFAOYSA-N 219.715 4.056 10 40 BICB Cc1ccc(C)n1-c1ccc(Cl)c(Cl)c1 4054474 NCDPUUHTNZPKBK-UHFFFAOYSA-N 240.133 4.401 10 40 BICB CC(=O)Oc1ccc(/N=N/c2ccccc2)cc1 4571286 QOHYVYQZOGGMRN-FOCLMDBBSA-N 240.262 4.027 10 40 BICB Cc1ccc(-c2ccccc2)n1-c1ccc(O)cc1 3904330 HHGKCNCOXGVTGT-UHFFFAOYSA-N 249.313 4.158 10 40 BICB Cc1cc(/N=N\c2ccccc2)cc(C)c1N 100247150 JQCBQKOMEJVLPH-MSUUIHNZSA-N 225.295 4.301 10 40 BICB Cc1ccc(-c2ccco2)n1-c1ccccc1 196199595 XQVUQMJBVUDKPF-UHFFFAOYSA-N 223.275 4.046 10 40 BICB Clc1ccccc1/N=N/c1ccccn1 16931247 PBUSWBVETQKXIR-CCEZHUSRSA-N 217.659 4.150 10 40 BICB COc1ccccc1/N=N/c1ccc(N)c(C)c1 101781219 PAUQPPXARMMVRP-WUKNDPDISA-N 241.294 4.001 10 40 BICB CC(=O)Nc1ccccc1/N=N/c1ccccc1 13402476 USPKSFLYOCGZTF-WUKNDPDISA-N 239.278 4.060 10 40 BICB CNc1c(F)cc(/N=N/c2ccccc2)cc1F 18087994 VZGZLQJLFUOMCL-ISLYRVAYSA-N 247.248 4.422 10 40 BICB Oc1ccc(/N=N/c2ccccc2)cc1Cl 17838295 UWKOOOMCKYNLFU-CCEZHUSRSA-N 232.670 4.461 10 40 BICB C/C=C(\c1ccccc1)c1ccc(N(C)C)cc1 1601653 SDCSWPCCJHOOHH-HAVNEIBRSA-N 237.346 4.204 10 40 BICB CN(C)c1ccc(/N=N/c2cccc(F)c2)cc1 18085361 QPSNWMWKJWYOMD-WUKNDPDISA-N 243.285 4.307 10 40 BICB CC(=O)Nc1ccccc1/N=N\c1ccccc1 100369472 USPKSFLYOCGZTF-MSUUIHNZSA-N 239.278 4.060 10 40 BICB Cc1ccc(/N=N/c2ccc(C)c(N)c2)cc1 91301617 FYVSWXFFTWIQCF-WUKNDPDISA-N 225.295 4.301 10 40 BICB Cc1cccc(/N=N\c2ccc(N(C)C)cc2)c1 100019109 LVTFSVIRYMXRSR-MSUUIHNZSA-N 239.322 4.476 10 40 BICB COc1ccc(/N=N\c2ccc(OC)cc2)cc1 100409114 ICHNIWWYEHETFJ-NXVVXOECSA-N 242.278 4.119 10 40 BICB ON(/N=N\c1ccc(Cl)cc1)c1ccccc1 84460114 HIPYNQOEOFLFTP-PFONDFGASA-N 247.685 4.235 10 40 BICB CC(=O)c1ccc(/N=N\c2ccc(O)cc2)cc1 103273193 WSJNBEDQXYXNRE-NXVVXOECSA-N 240.262 4.010 10 40 BICB COc1cccc(/N=N/c2cccc(OC)c2)c1 18043213 WCZZYXNUCFSFDX-FOCLMDBBSA-N 242.278 4.119 10 40 BICB [O-]/[N+](=N\c1ccccc1C1CC1)c1ccccc1 23358644 VMRJQSRWFYBHBO-MSUUIHNZSA-N 238.290 4.490 10 40 BICB Fc1ccc(/N=N\c2ccccc2)cc1 100349220 GZMHQJVQKFZDLR-PFONDFGASA-N 200.216 4.241 10 40 BICB Nc1ccc(/N=N/c2ccncc2)c2ccccc12 17917277 NXJYVHAHVIQTHN-VHEBQXMUSA-N 248.289 4.232 10 40 BICB C[n+]1ccc(/N=N/c2ccccc2)c2ccccc21 14983237 ITOGQTUSPWKYAA-UHFFFAOYSA-N 248.309 4.080 10 40 BICB Cc1ccc(Oc2ccc(N)cc2)cc1Cl 228958205 AUOAHOKMPPCYCB-UHFFFAOYSA-N 233.698 4.023 10 40 BICB Oc1ccc(/N=N/c2ccc(Cl)cc2)cc1 18155430 MNNLUFVMZSSCJT-CCEZHUSRSA-N 232.670 4.461 10 40 BICB Cc1ccc(C)n1-c1cccc(Cl)c1Cl 361442 DYVJPIZUNZZUKT-UHFFFAOYSA-N 240.133 4.401 10 40 BICB Nc1ccc(OCc2cccc3ccccc23)cc1 8703693 SOMGZSWGJSOAEK-UHFFFAOYSA-N 249.313 4.001 10 40 BICB Oc1ccc2ccccc2c1/N=N\c1ccccn1 100030401 LLYOXZQVOKALCD-ZCXUNETKSA-N 249.273 4.356 10 40 BICB Cc1ccc(N=Nc2ccc(N(C)C)cc2)cc1 12358870 IPIZWPBCCYXHDW-UHFFFAOYSA-N 239.322 4.476 10 40 BICB Cc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 4742441 QLDZCYQMESNYHX-FOCLMDBBSA-N 240.262 4.109 10 40 BICB CC12CC3(C)CC(C)(C1)CC(N=[N+]=[N-])(C2)C3 5757400 SYHOVRHYBNQXIZ-UHFFFAOYSA-N 219.332 4.436 10 40 BICB Cc1ccc(/N=N\c2ccc(N(C)C)cc2)cc1 100014067 IPIZWPBCCYXHDW-MSUUIHNZSA-N 239.322 4.476 10 40 BICB COc1ccccc1N=Nc1ccc(F)cc1 250408981 WLPXKBDIFKEXPI-UHFFFAOYSA-N 230.242 4.250 10 40 BICB Cc1cc(Oc2ccc(N)cc2)cc(C)c1Cl 11804871 IGVZXXJGQNYWRE-UHFFFAOYSA-N 247.725 4.331 10 40 BICB Cc1cc(Oc2ccc(N)cc2)ccc1Cl 11804872 USOPVVWQPSBPTH-UHFFFAOYSA-N 233.698 4.023 10 40 BICB C[C@@]12CC3CC(N=[N+]=[N-])(C1)C[C@@](C)(C3)C2 102205992 YRFQAPSVRBSXEB-YECOWLKZSA-N 205.305 4.046 10 40 BICB CCCc1cc(N=Nc2ccncc2)ccc1O 255963964 BBXGFZXXADBYAD-UHFFFAOYSA-N 241.294 4.155 10 40 BICB C[C@@]12CC3CC(N=[N+]=[N-])(C1)C[C@](C)(C3)C2 16952695 YRFQAPSVRBSXEB-WSVSKBAQSA-N 205.305 4.046 10 40 BICB in-vitro Oc1ccc(NCc2cccc3ccccc23)cc1 505538 HGAUOHWLZURBSZ-UHFFFAOYSA-N 249.313 4.158 10 40 BICB S=Cc1ccc2c(c1)Nc1ccccc1S2 26893808 NFYGQEWVIVHDJO-UHFFFAOYSA-N 243.356 4.243 10 40 BICB Cc1cccc(/N=[N+](/[O-])c2cccc(C)c2)c1 102312971 OCIMXNSZRVIRQB-FOCLMDBBSA-N 226.279 4.229 10 40 BICB CCCCCC[C@H](C)Oc1ccc(N)cc1 8702441 JSYDPCYIYRIHNW-LBPRGKRZSA-N 221.344 4.007 10 40 BICB C=CC=C1c2ccccc2CCc2ccccc21 71254594 WYNDAXXIOHYNBD-UHFFFAOYSA-N 232.326 4.403 10 40 BICB in-vitro Fc1ccc(/N=N\c2ccc(F)cc2)cc1 100429822 LPEOJAQIOYPHTK-NXVVXOECSA-N 218.206 4.380 10 40 BICB Cc1ccc(C(C)C)c(Oc2ccc(N)cc2)c1 7468034 VLWCZCOUSODQOX-UHFFFAOYSA-N 241.334 4.493 10 40 BICB in-vitro Nc1ccc(Cc2cccc3ccccc23)cc1 89211667 FTGURMFCNCSOPT-UHFFFAOYSA-N 233.314 4.013 10 40 BICB COc1ccccc1/N=N\c1ccccc1OC 104343840 ZTPNMRWLUKXJDI-NXVVXOECSA-N 242.278 4.119 10 40 BICB Cc1cc(O)ccc1/N=N/c1ccccc1 17861758 AXGXXLOKNNMCHP-CCEZHUSRSA-N 212.252 4.116 10 40 BICB Cc1cc(C)c(O)c(/N=N/c2ccccc2)c1 100279415 XAJAYIFHXBEJLP-FOCLMDBBSA-N 226.279 4.424 10 40 BICB CCc1ccc(/N=N/c2ccc(N)cc2)cc1 18038460 ILVYMULTJBGCNF-WUKNDPDISA-N 225.295 4.247 10 40 BICB Cc1ccc(C(C)C)cc1Oc1ccc(N)cc1 14630129 MPJNNACEUHQUPK-UHFFFAOYSA-N 241.334 4.493 10 40 BICB Cc1ccc(C(=S)c2ccccc2)cc1C 228916908 FUELTKHTZKYHNA-UHFFFAOYSA-N 226.344 4.070 10 40 BICB Cc1ccc(C)c(/N=N/c2ccc(O)cc2)c1 18209386 SZMBWRNOKVQLLA-FOCLMDBBSA-N 226.279 4.424 10 40 BICB Oc1ccc(N=Nc2ccccc2)c(F)c1F 257345122 MELBVUPITCGHMO-UHFFFAOYSA-N 234.205 4.086 10 40 BICB Cc1cccc(/N=[N+](\[O-])c2cccc(C)c2)c1 4582659 OCIMXNSZRVIRQB-NXVVXOECSA-N 226.279 4.229 10 40 BICB C=Cc1cc(C)n(-c2c(C)cccc2C)c1C 5898296 NXQTVJZADRIEJL-UHFFFAOYSA-N 225.335 4.354 10 40 BICB CN(C)c1ccc(/N=N\c2ccccc2)cc1 100028946 JCYPECIVGRXBMO-NXVVXOECSA-N 225.295 4.168 10 40 BICB endogenous,in-man CC(=S)c1cc(-c2ccccc2)sc1C 228950745 MGYNQNRKJNKMRB-UHFFFAOYSA-N 232.373 4.461 10 40 BICB Cc1cccc(/N=N/c2cccc(C)c2CO)c1 2002106691 QAPQQXOGSIRKHS-WUKNDPDISA-N 240.306 4.211 10 40 BICB Nc1ccc(/N=N/c2cccc(Cl)c2)cc1 5331305 JHWDSYCKYMLGHX-FOCLMDBBSA-N 231.686 4.338 10 40 BICB Cc1ccc(C)n1-c1cccc2ccccc12 977546 UCWRRXOWTMTMQH-UHFFFAOYSA-N 221.303 4.247 10 40 BICB Cc1c[n+]2ccc3ccccc3c2c2ccccc12 1697356 XHUFEZSDQWSSOZ-UHFFFAOYSA-N 244.317 4.040 10 40 BICB CCCCCCC(=O)C(=O)CCCCCC 1672455 ZSKKAJLPNIHYRI-UHFFFAOYSA-N 226.360 4.065 10 40 BICB CNc1ccc(/N=N/c2ccccc2)cc1 21299786 DKOXITJAUZNAPK-FOCLMDBBSA-N 211.268 4.144 10 40 BICB in-vitro Cc1cc(N)cc(C)c1/N=N\c1ccccc1 104260544 RZXFJQNRAWHUEQ-MSUUIHNZSA-N 225.295 4.301 10 40 BICB CCc1cccc(CC)c1-n1c(C)ccc1C 1667704 JPUIHSMZRSNKAR-UHFFFAOYSA-N 227.351 4.219 10 40 BICB Cc1ccc(Cl)c(Oc2ccc(N)cc2)c1 14630127 RDQUFUIRVSSYFJ-UHFFFAOYSA-N 233.698 4.023 10 40 BICB Cc1ccc(-c2ccccc2)n1-c1cccc(O)c1 8413443 HWJSJJCAZGKTPI-UHFFFAOYSA-N 249.313 4.158 10 40 BICB CC(=S)c1ccc(Cc2ccccc2)cc1 140086789 RODZFQBZNABSJQ-UHFFFAOYSA-N 226.344 4.015 10 40 BICB