smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(C)(CO)CO)c(=O)n2C ZINC000159530323 482731016 /nfs/dbraw/zinc/73/10/16/482731016.db2.gz DLZAOUVIGZFKSI-UHFFFAOYSA-N 1 1 353.423 -1.254 20 70 FAIDMO