smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1 ZINC000014096581 553500911 /nfs/dbraw/zinc/50/09/11/553500911.db2.gz ZQXUQOHLHUWLSA-WOUKDFQISA-N -3 2 615.338 0.577 10 0 in-vitro KCAELL CCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1 ZINC000014096581 553500908 /nfs/dbraw/zinc/50/09/08/553500908.db2.gz ZQXUQOHLHUWLSA-WOUKDFQISA-N -3 2 615.338 0.577 10 0 in-vitro KCAELL