smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC(=O)[C@H](CC(=O)[O-])[C@H]1C(=C([O-])C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000016957655 556650926 /nfs/dbraw/zinc/65/09/26/556650926.db2.gz KEHVWXQDJICDJV-BGLNDFDYSA-N -2 0 432.345 0.935 10 30 ICEERL