smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc2cc3ccccc3[nH+]c2c1 5935126 169294507 /nfs/dbraw/zinc/29/45/07/169294507.db2.gz GHCKERHPOQWERJ-UHFFFAOYSA-N 1 1 194.237 2.970 20 5 AFBDMO