smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)C(=O)N1 ZINC000003188093 562932658 /nfs/dbraw/zinc/93/26/58/562932658.db2.gz VVKCSCJEYUSLPB-UHFFFAOYSA-N 0 1 426.388 2.395 10 10 IECEMN O=C(COc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1)N1CCOCC1 ZINC000035225678 526946630 /nfs/dbraw/zinc/94/66/30/526946630.db2.gz WRMRWOOFRXVBDM-XDHOZWIPSA-N 0 1 441.871 2.039 10 10 IECEMN