smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCO[N-]C(=O)c1nc(=O)[n-][nH]1 306362811 572613457 /nfs/dbraw/zinc/61/34/57/572613457.db2.gz VAGCPGOSZOZIBN-UHFFFAOYSA-N -2 1 182.139 -1.607 20 30 AAEDML Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1 100244503 343713738 /nfs/dbraw/zinc/71/37/38/343713738.db2.gz ZZNISJSMHFZAJF-UHFFFAOYSA-N -2 1 171.112 -1.294 20 30 AAEDML