smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-][N+]([O-])(O)C[C@H]1O[C@@H](n2cnc3c2ncnc3NC2CCCC2)[C@H](O)[C@@H]1O ZINC000169697575 717157181 /nfs/dbraw/zinc/15/71/81/717157181.db2.gz SRKRZFMGWYYTHV-SDBHATRESA-N -1 2 382.377 -0.107 1 5 GBBFLM