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)NC=C1C(=O)NC(=O)NC1=O 96930168 166256005 /nfs/dbraw/zinc/25/60/05/166256005.db2.gz IHFPTLWMIKIYEA-UHFFFAOYSA-N 0 1 197.150 -0.787 1 10 ABCFMN CC([O-])=C([N+]#N)C(=O)N1CCOC1=O 5940870 171018631 /nfs/dbraw/zinc/01/86/31/171018631.db2.gz WHKYTJCDHGJQQL-UHFFFAOYSA-N 0 1 197.150 -0.775 1 10 ABCFMN