smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc2ccccc2cc1N=[NH2+] ZINC000004995122 170293703 /nfs/dbraw/zinc/29/37/03/170293703.db2.gz QJQJXVJCBWUINW-UHFFFAOYSA-N 1 2 228.251 3.679 40 10 BHCBLO