smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005316680 181228729 /nfs/dbraw/zinc/22/87/29/181228729.db2.gz PCCJXCJNMRZFPH-UHFFFAOYSA-N 2 2 313.404 5.563 1 10 DKCFLP