smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(O)cc(O)c1C(=O)OC[C@H](O)CO 217050747 FUTKBYODICXHRE-MRVPVSSYSA-N 242.227 -0.084 70 1 BBIF COC(COc1ccc2c(c1)B(O)OC2)OC 195380898 KUBRFXCGOHPDTD-UHFFFAOYSA-N 238.048 -0.098 70 1 BBIF COCCOc1ccc2c(c1)B(O)OC2 195356520 VOBBIWJSLOSKBN-UHFFFAOYSA-N 208.022 -0.071 70 1 BBIF CCNC(=O)CCc1cccc2c1B(O)OC2 204058691 RQPPFTWGWWNIIX-UHFFFAOYSA-N 233.076 -0.027 70 1 BBIF CCNC(=O)COc1ccc2c(c1)B(O)OC2 195374067 DASRWOXGWPBCTM-UHFFFAOYSA-N 235.048 -0.581 70 1 BBIF OB1OCc2cccc(CCn3cnnn3)c21 195351027 RIDXBMCUKQIAEQ-UHFFFAOYSA-N 230.036 -0.867 70 1 BBIF O=P(O)(O)CCc1cccc2c1B(O)OC2 195494318 KDVFJQQAMJTBJQ-UHFFFAOYSA-N 241.976 -0.376 70 1 BBIF CN(C)C(=O)CCc1cccc2c1B(O)OC2 195350991 NZBMJTVLLUHQHE-UHFFFAOYSA-N 233.076 -0.075 70 1 BBIF CC1=CC(=O)/C(=C\S(=O)(=O)Cl)NN1 957909649 GKJXQARRLQHWMP-HWKANZROSA-N 222.653 -0.023 70 1 BBIF CC1=CC(=O)/C(=C/S(=O)(=O)Cl)NN1 957909650 GKJXQARRLQHWMP-HYXAFXHYSA-N 222.653 -0.023 70 1 BBIF