smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=NC(=NNc2ccc(C(=O)[O-])cc2)C(CO[P@@](=O)([O-])O)=C(C=O)C1=O ZINC000004392984 209171555 /nfs/dbraw/zinc/17/15/55/209171555.db2.gz NPBWMMRUXMTIRC-ISLYRVAYSA-N -2 2 395.264 2.631 50 10 in-vitro GFCALL CC1=NC(=NNc2ccc(C(=O)[O-])cc2)C(CO[P@](=O)([O-])O)=C(C=O)C1=O ZINC000004392984 209171560 /nfs/dbraw/zinc/17/15/60/209171560.db2.gz NPBWMMRUXMTIRC-ISLYRVAYSA-N -2 2 395.264 2.631 50 10 in-vitro GFCALL