smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN(CC(=O)[O-])C(=O)C(=O)[O-])cc1 ZINC000042921763 174917053 /nfs/dbraw/zinc/91/70/53/174917053.db2.gz MNKCDQFEAKSTPU-UHFFFAOYSA-N -2 0 280.280 0.250 1 10 CCCFRL O=C([O-])Cc1c(=O)oc2c(O)c([O-])cc3c2c1COC3=O ZINC000014654002 290816149 /nfs/dbraw/zinc/81/61/49/290816149.db2.gz DBBOJUGDRHJPND-UHFFFAOYSA-N -2 0 292.199 0.502 1 10 biogenic,in-vitro CCCFRL