smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC001252634830 1068453662 /nfs/dbraw/zinc/45/36/62/1068453662.db2.gz GCNHCSUNMOCWTK-IOSLPCCCSA-N -2 2 425.316 -2.074 20 0 IAADLL CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC001252642676 1068453956 /nfs/dbraw/zinc/45/39/56/1068453956.db2.gz GCNHCSUNMOCWTK-ICQCTTRCSA-N -2 2 425.316 -2.074 20 0 IAADLL