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(=O)NNC(=Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005724097 717101141 /nfs/dbraw/zinc/10/11/41/717101141.db2.gz OLZXYDZVBCSEJV-UHFFFAOYSA-O 1 0 568.552 2.121 1 50 KEGFRO