smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)N1CCc2cnc(N3CCOCC3)nc2C1 ZINC000217620675 544489837 /nfs/dbraw/zinc/48/98/37/544489837.db2.gz IGGYJJHFYPTDFE-UHFFFAOYSA-N 0 0 292.339 -0.156 40 70 CBIBRN O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCNC(=O)C1 ZINC000217984847 352233988 /nfs/dbraw/zinc/23/39/88/352233988.db2.gz YAJMMKIPMCAVQJ-PHIMTYICSA-N 0 0 292.343 -0.562 40 70 CBIBRN Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1C ZINC000217452129 189710534 /nfs/dbraw/zinc/71/05/34/189710534.db2.gz QUNVURUBSSMPMA-MBJXGIAVSA-N 0 0 284.308 -0.518 40 70 CBIBRN