smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000102957020 219243610 /nfs/dbraw/zinc/24/36/10/219243610.db2.gz GBVMRMUXLFFIFZ-WCWDXBQESA-N 0 2 342.398 5.213 40 10 EKCBLN Cc1ccccc1NN=C(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000102977539 219245403 /nfs/dbraw/zinc/24/54/03/219245403.db2.gz URUHRRSCTBUPDX-WCWDXBQESA-N 0 2 342.398 5.213 40 10 EKCBLN Cc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 ZINC000104290085 219371132 /nfs/dbraw/zinc/37/11/32/219371132.db2.gz GBVMRMUXLFFIFZ-VHXPQNKSSA-N 0 2 342.398 5.213 40 10 EKCBLN Cc1ccccc1NN=C(C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000104290092 219370259 /nfs/dbraw/zinc/37/02/59/219370259.db2.gz URUHRRSCTBUPDX-VHXPQNKSSA-N 0 2 342.398 5.213 40 10 EKCBLN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1S ZINC000408965055 564008389 /nfs/dbraw/zinc/00/83/89/564008389.db2.gz GAIPIHJXGGZUFK-UHFFFAOYSA-N 0 2 344.277 5.504 40 10 EKCBLN