smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1sc1c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nnn1c1ccccc12 ZINC000150343872 571459105 /nfs/dbraw/zinc/45/91/05/571459105.db2.gz QGBFBSRWGGIGFZ-UHFFFAOYSA-N 1 3 674.835 4.338 50 5 KIBAHO