smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])cc(C(=O)NCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1OC ZINC000028477275 563055816 /nfs/dbraw/zinc/05/58/16/563055816.db2.gz JPVSAVHKJKLXGZ-UHFFFAOYSA-N -2 2 444.226 -0.267 1 5 IBBFLL COc1cc([N+](=O)[O-])cc(C(=O)NCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1OC ZINC000028477275 563055815 /nfs/dbraw/zinc/05/58/15/563055815.db2.gz JPVSAVHKJKLXGZ-UHFFFAOYSA-N -2 2 444.226 -0.267 1 5 IBBFLL