smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc([O-])cc1[N+](=O)[O-] 19801506 166384955 /nfs/dbraw/zinc/38/49/55/166384955.db2.gz DINMMUZPTWKFNH-UHFFFAOYSA-N -1 3 195.218 2.598 40 5 AFBBHM Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1[O-] 19801533 343060763 /nfs/dbraw/zinc/06/07/63/343060763.db2.gz SYYSFGBSQBFNSL-UHFFFAOYSA-N -1 3 195.218 2.534 40 5 AFBBHM