smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(C)Cc1ccccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164212783 1312469568 /nfs/dbraw/zinc/46/95/68/1312469568.db2.gz CPSUEHDZTFPIPP-UHFFFAOYSA-N 2 3 333.544 2.721 20 5 EFBDHP