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+](CCCl)(CCCl)Cc1ccc([N+](=O)[O-])s1 ZINC000043361928 717129010 /nfs/dbraw/zinc/12/90/10/717129010.db2.gz YWVYHGFPMONLMH-UHFFFAOYSA-N 1 0 298.215 3.081 1 50 CGGFRO C[N+](CCCl)(CCCl)Cc1sccc1[N+](=O)[O-] ZINC000043356674 717128969 /nfs/dbraw/zinc/12/89/69/717128969.db2.gz GOXGZNDIJGUHFY-UHFFFAOYSA-N 1 0 298.215 3.081 1 50 CGGFRO