smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](F)(CC(N)=O)C(C)(C)C 210624358 CVBPCQIALHUPGH-UHFFFAOYSA-N 219.376 2.987 70 1 BFIF O=S(=O)(F)/C=C/C=C/c1ccc(F)c(F)c1 1857595195 MENUCGVGOHKKRA-DHWRHDBVSA-N 248.225 2.791 70 1 BFIF C[C@H](c1ccccc1)n1cncc1C(=O)N=[N+]=[N-] 40955932 XHTXFNBZNWDFBM-SECBINFHSA-N 241.254 2.943 70 1 BFIF O=S(=O)(F)/C=C/c1coc2ccccc12 1857596499 QJEGYNVKHJDWBJ-AATRIKPKSA-N 226.228 2.703 70 1 BFIF c1cncc(-c2ccc(N3CCOCC3)cc2)c1 217883047 WXRVAEBRNMDMNW-UHFFFAOYSA-N 240.306 2.585 70 1 BFIF Fc1ccc2c(c1)COB2/C=C/c1ccccc1 195187916 JVKDERJDZYQFCV-CMDGGOBGSA-N 238.070 2.807 70 1 BFIF CSc1ccc(/C=C/S(=O)(=O)F)cc1 1857534869 PXOZQJLUNXQHIR-VOTSOKGWSA-N 232.301 2.679 70 1 BFIF COc1ccc(Cc2ccccn2)cc1OC 217698603 QCKMOAPEDWOTMH-UHFFFAOYSA-N 229.279 2.690 70 1 BFIF Cc1ccc(/C=C/S(=O)(=O)F)c(C)c1 1857544679 XNSGWKKJKYWUSN-AATRIKPKSA-N 214.261 2.573 70 1 BFIF Cc1cc(C)cc(/C=C/S(=O)(=O)F)c1 1857549834 CSJLYAYEDNBKRN-ONEGZZNKSA-N 214.261 2.573 70 1 BFIF O=S(=O)(F)/C=C/C=C/c1cccc(F)c1 1857593789 QTQZKEFAZPXGPJ-BQJQTIKASA-N 230.235 2.652 70 1 BFIF C(=C/c1ccccc1)\B1OCc2ccccc21 195317111 CHYXLZRPBFDUFX-ZHACJKMWSA-N 220.080 2.668 70 1 BFIF C[C@@H](c1ccccc1)n1cncc1C(=O)N=[N+]=[N-] 40955929 XHTXFNBZNWDFBM-VIFPVBQESA-N 241.254 2.943 70 1 BFIF O=S(=O)(F)/C=C/C=C/c1ccccc1 1857544137 ANISAPHVBVZLFI-KBXRYBNXSA-N 212.245 2.513 70 1 BFIF Cc1ccc(/C=C/C=C/S(=O)(=O)F)cc1 1857619615 JQRGGOLMNPQOQE-QIAUARBPSA-N 226.272 2.821 70 1 BFIF