smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C[NH2+]CCCC[NH3+] ZINC000005828611 170144340 /nfs/dbraw/zinc/14/43/40/170144340.db2.gz STZADRVKDWYFAB-VIFPVBQESA-N 3 1 275.357 -1.482 1 30 CAEFMP