smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC[C@H]1C=P(O)(O)CC1 169724475 ORXPYDBILADQKG-YFKPBYRVSA-N 149.130 -0.401 70 1 ABIF NC[C@@H]1C=P(O)(O)CC1 169724473 ORXPYDBILADQKG-RXMQYKEDSA-N 149.130 -0.401 70 1 ABIF Nc1ccc2nc(N)[nH][n+](=O)c2c1 217623405 GBBFPLHCTNJKCR-UHFFFAOYSA-N 178.175 -0.358 70 1 ABIF