smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1O[C@@H](c2c3ccccc3cc3ccccc32)C(=O)C1O ZINC000104239707 567916513 /nfs/dbraw/zinc/91/65/13/567916513.db2.gz AUUQGHVKDWYAOE-KRWDZBQOSA-N 0 2 291.306 4.369 40 5 CIBBLN O=C1C=C(O)c2c3cc4ccccc4cc3ccc2C1O ZINC000002242727 567845065 /nfs/dbraw/zinc/84/50/65/567845065.db2.gz JRJCGIGCZJTRSG-UHFFFAOYSA-N 0 2 276.291 4.364 40 5 CIBBLN N=C1O[C@H](c2c3ccccc3cc3ccccc32)C(=O)C1O ZINC000104239702 567916612 /nfs/dbraw/zinc/91/66/12/567916612.db2.gz AUUQGHVKDWYAOE-QGZVFWFLSA-N 0 2 291.306 4.369 40 5 CIBBLN