smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3ccccc3c(NCC[NH2+]C[C@@H](O)CO)c2c1 ZINC000004428780 210192172 /nfs/dbraw/zinc/19/21/72/210192172.db2.gz GKTPLLTYQYJTJK-CYBMUJFWSA-N 2 0 341.411 1.751 40 10 EDCBRP