smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000005933246 170157901 /nfs/dbraw/zinc/15/79/01/170157901.db2.gz BRTBLZVYDKNGQX-UHFFFAOYSA-N -2 2 297.140 -0.187 10 10 CBCELL Nc1ccc(CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000005933246 170157903 /nfs/dbraw/zinc/15/79/03/170157903.db2.gz BRTBLZVYDKNGQX-UHFFFAOYSA-N -2 2 297.140 -0.187 10 10 CBCELL Nc1ccc(-n2[nH]c(C(=O)[O-])cc2=O)c(S(=O)(=O)[O-])c1 ZINC000005161704 170072271 /nfs/dbraw/zinc/07/22/71/170072271.db2.gz WXQMQGBHEYGHMN-UHFFFAOYSA-N -2 2 299.264 -0.307 10 10 CBCELL