smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)C(=O)Nc1n[nH]cc1C#N ZINC000012321388 170475599 /nfs/dbraw/zinc/47/55/99/170475599.db2.gz CPTSAWPEMVVQNQ-UHFFFAOYSA-N 0 3 250.262 -1.102 50 30 CAEAHN NC(=O)c1cc[n+](CC(=O)Nc2c[nH]c(=O)[n-]c2=O)cc1 ZINC000001818095 373340545 /nfs/dbraw/zinc/34/05/45/373340545.db2.gz DEWPHUKEMCNSIE-UHFFFAOYSA-O 0 3 290.259 -1.912 50 30 CAEAHN