smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000013518757 562991144 /nfs/dbraw/zinc/99/11/44/562991144.db2.gz MELHEUHXJKQZNC-UHFFFAOYSA-N -3 1 433.147 -0.206 10 0 in-vitro IBAEML Nc1ncnc2c1ncn2CCOC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000013518757 562991142 /nfs/dbraw/zinc/99/11/42/562991142.db2.gz MELHEUHXJKQZNC-UHFFFAOYSA-N -3 1 433.147 -0.206 10 0 in-vitro IBAEML