smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C(=N[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N(c2ccccc2)N1c1ccccc1	ZINC000001563190	551684352	/nfs/dbraw/zinc/68/43/52/551684352.db2.gz	UKUNQXPPXOSKSR-UHFFFAOYSA-N	-2	3	518.580	3.707	40	30		KHEBHL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]N=C3C(=O)N(c4ccccc4)N(c4ccccc4)C3=O)cc2)no1	ZINC000001563193	551684275	/nfs/dbraw/zinc/68/42/75/551684275.db2.gz	RDKUKHSSOSPLLF-UHFFFAOYSA-N	-2	3	516.539	3.547	40	30		KHEBHL
Cc1c(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)cc(C(C)C)c([O-])c1CN(CC(=O)[O-])CC(=O)[O-]	ZINC000095612740	553705778	/nfs/dbraw/zinc/70/57/78/553705778.db2.gz	VWUBLPRLXIMEGH-LSWMGQQCSA-N	-6	3	756.827	3.797	40	30		KHEBHL
Cc1c(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C(C)C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)cc(C(C)C)c([O-])c1CN(CC(=O)[O-])CC(=O)[O-]	ZINC000095713108	553709706	/nfs/dbraw/zinc/70/97/06/553709706.db2.gz	VWUBLPRLXIMEGH-ROMHNNFLSA-N	-6	3	756.827	3.797	40	30		KHEBHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=NN)c2cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc2-3)cc1	ZINC000102415287	1066884810	/nfs/dbraw/zinc/88/48/10/1066884810.db2.gz	PLUQSOILEJFMHR-UHFFFAOYSA-N	-2	3	564.645	3.997	40	30		KHEBHL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000102980669	555187562	/nfs/dbraw/zinc/18/75/62/555187562.db2.gz	NRZHSHQNTBJPTB-LSHDLFTRSA-N	-3	3	535.878	3.807	40	30		KHEBHL
O=C(C=Cc1ccccc1)C(c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O	ZINC000150409685	571481949	/nfs/dbraw/zinc/48/19/49/571481949.db2.gz	PRIGAZCYRLEADK-UUASQNMZSA-N	-2	3	753.527	3.948	40	30		KHEBHL
O=C(C=Cc1ccccc1)C(c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O	ZINC000150409688	571481814	/nfs/dbraw/zinc/48/18/14/571481814.db2.gz	PRIGAZCYRLEADK-GIDUJCDVSA-N	-2	3	753.527	3.948	40	30		KHEBHL
C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])nnc1-c1cc(Br)ccc1[O-]	ZINC000408528709	572165687	/nfs/dbraw/zinc/16/56/87/572165687.db2.gz	GXXRKELIWFGOJS-UHFFFAOYSA-N	-2	3	506.338	3.944	40	30		KHEBHL
O=C([O-])c1ccc(-c2ccc(C=NN=c3[n-]c4nonc4nc3Nc3ccc(Br)cc3)o2)cc1	ZINC000408720846	1066190765	/nfs/dbraw/zinc/19/07/65/1066190765.db2.gz	FNISVVVONVKRJF-MYKKPKGFSA-N	-2	3	520.303	3.767	40	30		KHEBHL
O=C([O-])c1cccc(-c2ccc(C=NN=c3[n-]c4nonc4nc3Nc3ccc(Br)cc3)o2)c1	ZINC000408721047	1066557346	/nfs/dbraw/zinc/55/73/46/1066557346.db2.gz	JAGWXBJNSLIGQW-MYKKPKGFSA-N	-2	3	520.303	3.767	40	30		KHEBHL
O=C([O-])c1ccccc1-c1ccc(C=NN=c2[n-]c3nonc3nc2Nc2ccc(Br)cc2)o1	ZINC000408721404	1066557372	/nfs/dbraw/zinc/55/73/72/1066557372.db2.gz	QOQMOVCIGZPLJV-MYKKPKGFSA-N	-2	3	520.303	3.767	40	30		KHEBHL
Cc1cc(N=C2NC(=O)C(=Cc3c(=O)[n-]c(=S)n(-c4ccccc4)c3[O-])S2)cc(C)c1Br	ZINC000408755377	1066565965	/nfs/dbraw/zinc/56/59/65/1066565965.db2.gz	KZYSKTQXPNOAAN-CCAPLTMGSA-N	-2	3	529.441	3.864	40	30		KHEBHL
Cc1cc(N=C2NC(=O)C(=Cc3c(=O)[n-]c(=S)n(-c4ccccc4)c3[O-])S2)cc(C)c1Br	ZINC000408755380	1066566052	/nfs/dbraw/zinc/56/60/52/1066566052.db2.gz	KZYSKTQXPNOAAN-HEUOVEHFSA-N	-2	3	529.441	3.864	40	30		KHEBHL