smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)[O-] ZINC000103239281 717146482 /nfs/dbraw/zinc/14/64/82/717146482.db2.gz SWDNILUILJVHBN-RYUDHWBXSA-O -2 0 398.373 -0.954 1 5 GBBFRL [O-][N+]([O-])([O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3NC2CCCC2)[C@H](O)[C@@H]1O ZINC000169697575 717157179 /nfs/dbraw/zinc/15/71/79/717157179.db2.gz SRKRZFMGWYYTHV-SDBHATRESA-N -2 0 382.377 -0.107 1 5 GBBFRL