smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000004352996 204135236 /nfs/dbraw/zinc/13/52/36/204135236.db2.gz DSHCGYUVWZUDSC-UHFFFAOYSA-N 2 0 371.912 5.194 40 10 FKCBRP CC[NH+](CC)Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000031870941 571055928 /nfs/dbraw/zinc/05/59/28/571055928.db2.gz GCMNLVJDDKCWEX-UHFFFAOYSA-N 2 0 355.485 5.973 40 10 FKCBRP