smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(NNC(=O)C[N+](C)(C)C)=C(C[NH+](C)C)C(=O)Nc1ccccc1 ZINC000016958067 717112393 /nfs/dbraw/zinc/11/23/93/717112393.db2.gz RRZSYXWJRYGDBN-ZGPWBKFBSA-O 2 0 348.471 1.001 40 50 EDGBRP CC(NNC(=O)C[N+](C)(C)C)=C(C[NH+](C)C)C(=O)Nc1ccccc1 ZINC000005503125 717100064 /nfs/dbraw/zinc/10/00/64/717100064.db2.gz RRZSYXWJRYGDBN-ZHTGWBIJSA-O 2 0 348.471 1.001 40 50 EDGBRP