smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC(N=Nc2ccccc2[O-])c2ncc(C(=O)[O-])c(=O)n21 ZINC000040640336 213363054 /nfs/dbraw/zinc/36/30/54/213363054.db2.gz BXXWNDJZRKFYLM-GYXABCNZSA-N -2 1 328.328 1.818 1 30 EDEFML C[C@H]1CCC(N=Nc2ccccc2[O-])c2ncc(C(=O)[O-])c(=O)n21 ZINC000040640339 213362315 /nfs/dbraw/zinc/36/23/15/213362315.db2.gz BXXWNDJZRKFYLM-JAXARTJQSA-N -2 1 328.328 1.818 1 30 EDEFML