smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@H](c2ccc([O-])c(Cl)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1 ZINC000217975322 568921801 /nfs/dbraw/zinc/92/18/01/568921801.db2.gz DVCFFEVDYAKZHR-HNNXBMFYSA-N -1 1 412.869 5.155 50 70 biogenic HKIAMM O=C1C[C@H](c2ccc([O-])c(Cl)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1 ZINC000217975415 568921811 /nfs/dbraw/zinc/92/18/11/568921811.db2.gz DVCFFEVDYAKZHR-OAHLLOKOSA-N -1 1 412.869 5.155 50 70 biogenic HKIAMM