smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@H](O)c1oc(O)c(OC[N+]2(CCCl)CCN(CCCl)CC2)c1O ZINC000005850161 717102790 /nfs/dbraw/zinc/10/27/90/717102790.db2.gz STQAMTVQFQWBFT-WCQYABFASA-O 1 2 400.279 -0.381 40 50 HBGBLO