smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005318801 170085405 /nfs/dbraw/zinc/08/54/05/170085405.db2.gz SVIPDPNCURSLKO-UHFFFAOYSA-N 2 2 299.377 5.173 10 10 CKCELP