smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](F)(CCC(N)=O)C(C)(C)C 210624398 RABIKMJADIQWOH-UHFFFAOYSA-N 233.403 3.377 70 1 BGIF O=S(=O)(F)CCCCCCc1ccccc1 95572252 UMHRRMYEVADXPM-UHFFFAOYSA-N 244.331 3.089 70 1 BGIF O=S(=O)(F)/C=C/c1cccc2ccccc12 1857596604 JRGFCIFOORLBEQ-CMDGGOBGSA-N 236.267 3.110 70 1 BGIF COc1ccc2nc(SC)c(Cl)nc2c1 216705239 DILXUERTWFODOY-UHFFFAOYSA-N 240.715 3.014 70 1 BGIF CCCCB1N[C@H](C)[C@@H](c2ccccc2)O1 195263081 LXWVPXKWXLRFRF-YPMHNXCESA-N 217.121 3.024 70 1 BGIF CC(C)c1cccc(/C=C/S(=O)(=O)F)c1 1857560833 IJVBEXNNUGOYGY-VOTSOKGWSA-N 228.288 3.080 70 1 BGIF COc1ccc(Sc2cccnc2)cc1 216848969 DSDDBRBPKVSACO-UHFFFAOYSA-N 217.293 3.241 70 1 BGIF CCCCB1O[C@@H](c2ccccc2)[C@H](C)N1C 195261310 FTBXGQMOYJBKCA-GXTWGEPZSA-N 231.148 3.367 70 1 BGIF COc1ccc2nc(Cl)c(SC)nc2c1 216704082 LTKSGDVBXLINLU-UHFFFAOYSA-N 240.715 3.014 70 1 BGIF CCCCB1O[C@H](c2ccccc2)[C@H](C)N1C 195081562 FTBXGQMOYJBKCA-JSGCOSHPSA-N 231.148 3.367 70 1 BGIF COc1ccc2[nH]cc(Cc3ncc(C)o3)c2c1 218688374 IMPJQMQNCUKICE-UHFFFAOYSA-N 242.278 3.064 70 1 BGIF CC(C)(C)[Si](F)(CCO)C(C)(C)C 210624128 RANGAKROGPJPQZ-UHFFFAOYSA-N 206.377 3.494 70 1 BGIF O=S(=O)(F)/C=C/c1ccc2ccccc2c1 1857568943 XPRRCHLMIBZPKG-BQYQJAHWSA-N 236.267 3.110 70 1 BGIF COc1cccc(/C=C/c2cccc(N)c2)c1 217911482 CXRHZAHGPUVVMG-CMDGGOBGSA-N 225.291 3.448 70 1 BGIF CCCCB1O[C@H](c2ccccc2)[C@@H](C)N1C 195261297 FTBXGQMOYJBKCA-OCCSQVGLSA-N 231.148 3.367 70 1 BGIF CCCCB1N[C@@H](C)[C@H](c2ccccc2)O1 195263089 LXWVPXKWXLRFRF-WCQYABFASA-N 217.121 3.024 70 1 BGIF CCCCB1N[C@@H](C)[C@@H](c2ccccc2)O1 195263070 LXWVPXKWXLRFRF-AAEUAGOBSA-N 217.121 3.024 70 1 BGIF CC(C)(C)[Si](F)(CCNC=O)C(C)(C)C 210624533 ZGWNOZHGTVRIMP-UHFFFAOYSA-N 233.403 3.248 70 1 BGIF CCCCB1N[C@H](C)[C@H](c2ccccc2)O1 195263096 LXWVPXKWXLRFRF-DGCLKSJQSA-N 217.121 3.024 70 1 BGIF Nc1cccc(/C=C/c2cccc(O)c2)c1 217912136 INQNMEPIVIUBFA-BQYQJAHWSA-N 211.264 3.145 70 1 BGIF O=S(=O)(F)/C=C/c1cc2ccccc2s1 1857581058 AVXMHCJOZSLNAB-AATRIKPKSA-N 242.296 3.171 70 1 BGIF CCCCB1O[C@@H](c2ccccc2)[C@@H](C)N1C 195261284 FTBXGQMOYJBKCA-TZMCWYRMSA-N 231.148 3.367 70 1 BGIF Nc1cccc(/C=C/c2ccccc2O)c1 217912018 DHOQHYFAHXKIIF-CMDGGOBGSA-N 211.264 3.145 70 1 BGIF