smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000006583654 181397029 /nfs/dbraw/zinc/39/70/29/181397029.db2.gz YCSJDVLZYJRUHZ-UHFFFAOYSA-N 2 0 237.306 2.759 40 10 BFCBRP