smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCCCCC[C@@H](C)Cl 2011977 IRQJPTVOWBXCHM-GFCCVEGCSA-N 204.785 5.145 50 30 BKGC C[C@@H](SS[C@H](C)C(C)(C)C)C(C)(C)C 38656952 CCMFHOHSWIIEGK-NXEZZACHSA-N 234.474 5.237 50 30 BKGC C[C@H](SS[C@H](C)C(C)(C)C)C(C)(C)C 38656949 CCMFHOHSWIIEGK-AOOOYVTPSA-N 234.474 5.237 50 30 BKGC CCCCCCCCCC[C@H](C)Cl 2011978 IRQJPTVOWBXCHM-LBPRGKRZSA-N 204.785 5.145 50 30 BKGC C[C@H](SS[C@@H](C)C(C)(C)C)C(C)(C)C 38656948 CCMFHOHSWIIEGK-UWVGGRQHSA-N 234.474 5.237 50 30 BKGC CCCCCCCCCCCCCCCCl 111336169 WFDSCHJVWDKDFK-UHFFFAOYSA-N 246.866 6.316 50 30 BKGC CCCCCCC#CCCCCCCCCl 100292525 APWWCBNUZFUOSP-UHFFFAOYSA-N 242.834 5.540 50 30 BKGC [N-]=[N+]=Nc1cccc(S(F)(F)(F)(F)F)c1 885763979 FQSDUEJCGTZZQT-UHFFFAOYSA-N 245.176 5.286 50 30 BKGC CCCCC#CCCCCCCCCCCl 135878934 CSDPENNCPQNMIN-UHFFFAOYSA-N 242.834 5.540 50 30 BKGC CCCCCCC/C=C(/C=O)CCCCCC 115796206 RSBRHLFCWKXUSQ-JQIJEIRASA-N 238.415 5.443 50 30 BKGC C=CCCCCCCCCCO[Si](C)(C)C 195755750 ZHPUNQPMNQHBJE-UHFFFAOYSA-N 242.479 5.145 50 30 BKGC CC/C=C\C=C/CCCCCCCCCCl 111421512 LXZCBEHEDLOFNG-OUPQRBNQSA-N 242.834 5.868 50 30 BKGC CC(C)CCCCCCCCCC/C=C/C=O 98090173 OZHDSYWNVZMQDW-ACCUITESSA-N 238.415 5.299 50 30 BKGC [N-]=[N+]=Nc1ccc(S(F)(F)(F)(F)F)cc1 885763982 XTEKGBCFXJXHNL-UHFFFAOYSA-N 245.176 5.286 50 30 BKGC CCCCCCCCCC[Si](C)(C)CCl 195751410 ZJQQABUOLGYXCA-UHFFFAOYSA-N 248.914 5.614 50 30 BKGC