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 170157907 /nfs/dbraw/zinc/15/79/07/170157907.db2.gz BRTBLZVYDKNGQX-UHFFFAOYSA-N -4 3 297.140 -0.187 10 10 CBCEHL C[C@@H](O)[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000038437297 174141627 /nfs/dbraw/zinc/14/16/27/174141627.db2.gz XZZCFGQMQZJPLF-XRGYYRRGSA-N -2 3 255.226 -0.338 10 10 CBCEHL Nc1ccc(-n2[n-]c(C(=O)[O-])cc2=O)c(S(=O)(=O)[O-])c1 ZINC000005161704 170072272 /nfs/dbraw/zinc/07/22/72/170072272.db2.gz WXQMQGBHEYGHMN-UHFFFAOYSA-N -3 3 299.264 -0.307 10 10 CBCEHL