smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@H]21 ZINC000217413630 376173937 /nfs/dbraw/zinc/17/39/37/376173937.db2.gz NHANUSYJQVSPBQ-NNZMDNLPSA-N 2 0 296.414 3.186 50 70 CGIARP