smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC[C@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O ZINC000033985717 717123881 /nfs/dbraw/zinc/12/38/81/717123881.db2.gz HCKQUYXMTSQIJD-BQSNPHCVSA-O -2 0 489.335 -1.864 10 5 JABERL C[N+](C)(C)CC[C@@H](O[P@@](=O)([O-])OP(=O)([O-])[O-])[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O ZINC000033985718 717124273 /nfs/dbraw/zinc/12/42/73/717124273.db2.gz HCKQUYXMTSQIJD-YHALQVAKSA-O -2 0 489.335 -1.864 10 5 JABERL