smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(-c2ccccc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000015444190 563973771 /nfs/dbraw/zinc/97/37/71/563973771.db2.gz GZYCMKOFTONLMX-UHFFFAOYSA-N -1 0 340.597 4.188 30 0 EIACRM C[C@H](Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)C(=O)[O-] ZINC000004243847 210151278 /nfs/dbraw/zinc/15/12/78/210151278.db2.gz NUIZNGTWOLJUSB-GFCCVEGCSA-N -1 0 328.799 4.001 30 0 EIACRM COc1ccc(C(c2ccc(C)o2)c2ccc(C)o2)c(C(=O)[O-])c1 ZINC000004294430 210161804 /nfs/dbraw/zinc/16/18/04/210161804.db2.gz FZSASBAJIISFJA-UHFFFAOYSA-N -1 0 326.348 4.376 30 0 EIACRM C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)C(=O)[O-] ZINC000004243846 210151771 /nfs/dbraw/zinc/15/17/71/210151771.db2.gz NUIZNGTWOLJUSB-LBPRGKRZSA-N -1 0 328.799 4.001 30 0 EIACRM