smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000216927484 570309457 /nfs/dbraw/zinc/30/94/57/570309457.db2.gz XCJJODPSTUUAJG-VGOFMYFVSA-N 0 3 392.543 5.109 40 70 GKIBHN CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000218613965 570337723 /nfs/dbraw/zinc/33/77/23/570337723.db2.gz AWQYVTXKJGNOQX-UHFFFAOYSA-N 0 3 378.560 5.159 40 70 GKIBHN CN1CCC(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)CC1 ZINC000216900737 570309183 /nfs/dbraw/zinc/30/91/83/570309183.db2.gz ILBVRXWRRIBJRV-UHFFFAOYSA-N 0 3 388.964 5.303 40 70 GKIBHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000216943164 570309966 /nfs/dbraw/zinc/30/99/66/570309966.db2.gz HTYGENBDCNGSPV-UHFFFAOYSA-N 0 3 394.559 5.028 40 70 GKIBHN