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+]CCO)c2c1 ZINC000004428562 181109129 /nfs/dbraw/zinc/10/91/29/181109129.db2.gz IZEJFFXRAQGQFA-UHFFFAOYSA-N 2 0 311.385 2.390 40 10 DECBRP