smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccn([C@@H]2CS[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1 ZINC000038836361 205040988 /nfs/dbraw/zinc/04/09/88/205040988.db2.gz AAHOBGDTTMOZKD-NKWVEPMBSA-N -2 1 389.219 -0.360 40 0 in-man GBABML Nc1ccn([C@@H]2CS[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1 ZINC000038836361 205040984 /nfs/dbraw/zinc/04/09/84/205040984.db2.gz AAHOBGDTTMOZKD-NKWVEPMBSA-N -2 1 389.219 -0.360 40 0 in-man GBABML