smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1Oc1nc(Cl)ncc1N1CC2(CC[NH2+]CC2)c2c1cccc2-c1cccnc1 ZINC001166129833 1072914138 /nfs/dbraw/zinc/91/41/38/1072914138.db2.gz XFTSXNYQJNZSHP-UHFFFAOYSA-N 1 0 500.002 5.766 20 10 KKCDRO