smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C12CNCC([N+](=O)[O-])(C[NH2+]C1)C2 ZINC000002272476 368144821 /nfs/dbraw/zinc/14/48/21/368144821.db2.gz YHIDNDRTGFAMFL-UHFFFAOYSA-N 1 2 216.197 -1.386 50 5 BABALO