smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)CC(=O)[O-]	ZINC000147285025	205363547	/nfs/dbraw/zinc/36/35/47/205363547.db2.gz	YYVYNSZMMINHML-ZETCQYMHSA-N	-2	3	336.753	1.637	10	5		EDBEHL
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262444055	535980542	/nfs/dbraw/zinc/98/05/42/535980542.db2.gz	QCXQIOQKBDCGHS-MADCSZMMSA-N	-2	3	348.352	1.820	10	5		EDBEHL
O=C1[N-]C(=O)c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000019815275	212072030	/nfs/dbraw/zinc/07/20/30/212072030.db2.gz	RNOCZTFZCRXCMR-UHFFFAOYSA-N	-2	3	347.308	1.279	10	5		EDBEHL
O=C([O-])C[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl	ZINC000166012290	226144371	/nfs/dbraw/zinc/14/43/71/226144371.db2.gz	ANHMAIKGBBMDBO-UHFFFAOYSA-N	-2	3	329.117	1.265	10	5		EDBEHL
O=C([O-])C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000166999553	534483845	/nfs/dbraw/zinc/48/38/45/534483845.db2.gz	UNUSIGBPIZXYPO-UHFFFAOYSA-N	-2	3	334.737	1.391	10	5		EDBEHL
C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000070312140	215687816	/nfs/dbraw/zinc/68/78/16/215687816.db2.gz	HVXCONXQJSPIFN-ZETCQYMHSA-N	-2	3	336.753	1.780	10	5		EDBEHL
O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CC1	ZINC000054504744	214241149	/nfs/dbraw/zinc/24/11/49/214241149.db2.gz	YUOYTZNOWYOFAC-JTQLQIEISA-N	-2	3	334.737	1.390	10	5		EDBEHL
Cc1c(F)cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000263546599	139347402	/nfs/dbraw/zinc/34/74/02/139347402.db2.gz	HLXPLZYREYHSMH-UHFFFAOYSA-N	-2	3	348.352	1.964	10	5		EDBEHL
Cc1c(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-]	ZINC000262360999	139273173	/nfs/dbraw/zinc/27/31/73/139273173.db2.gz	CRJVIAWSOKVZCZ-NSHDSACASA-N	-2	3	334.325	1.430	10	5		EDBEHL
CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262409358	534935552	/nfs/dbraw/zinc/93/55/52/534935552.db2.gz	LGPBITLNOQNYPO-LLVKDONJSA-N	-2	3	348.352	1.964	10	5		EDBEHL
C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-]	ZINC000147271162	205366179	/nfs/dbraw/zinc/36/61/79/205366179.db2.gz	BNDXWPPDRBEGMA-ZETCQYMHSA-N	-2	3	336.753	1.637	10	5		EDBEHL
O=C([O-])Cc1ccc([O-])c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	ZINC000170502156	206577701	/nfs/dbraw/zinc/57/77/01/206577701.db2.gz	IDRYWGZQJQJTIV-UHFFFAOYSA-N	-2	3	346.295	1.945	10	5		EDBEHL
CC(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000019980843	280329163	/nfs/dbraw/zinc/32/91/63/280329163.db2.gz	AJTWJZGQSWKGND-JTQLQIEISA-N	-2	3	336.753	1.636	10	5		EDBEHL
O=C([O-])CC[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1Cl	ZINC000166012427	534493018	/nfs/dbraw/zinc/49/30/18/534493018.db2.gz	YLKOUAFZCIDWPM-UHFFFAOYSA-N	-2	3	343.144	1.655	10	5		EDBEHL
CCCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000262409359	139276931	/nfs/dbraw/zinc/27/69/31/139276931.db2.gz	LGPBITLNOQNYPO-NSHDSACASA-N	-2	3	348.352	1.964	10	5		EDBEHL
O=C([O-])CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Br	ZINC000159296726	225189766	/nfs/dbraw/zinc/18/97/66/225189766.db2.gz	UECYOGPBCLCHAT-UHFFFAOYSA-N	-2	3	339.123	1.184	10	5		EDBEHL
Cc1ncsc1C[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000071213851	202342836	/nfs/dbraw/zinc/34/28/36/202342836.db2.gz	VHAMRPFGBFJTEF-UHFFFAOYSA-N	-2	3	329.359	1.544	10	5		EDBEHL
O=C1[N-]C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020503334	202046902	/nfs/dbraw/zinc/04/69/02/202046902.db2.gz	SRZMPWXBGKAYDO-UHFFFAOYSA-N	-2	3	347.308	1.279	10	5		EDBEHL
Cc1c(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-]	ZINC000262360996	139273118	/nfs/dbraw/zinc/27/31/18/139273118.db2.gz	CRJVIAWSOKVZCZ-LLVKDONJSA-N	-2	3	334.325	1.430	10	5		EDBEHL
O=C([O-])c1nn(-c2ccc(Br)cc2[N+](=O)[O-])cc1[O-]	ZINC000037291204	213138751	/nfs/dbraw/zinc/13/87/51/213138751.db2.gz	BGSXATDRHDOYOW-UHFFFAOYSA-N	-2	3	328.078	1.947	10	5		EDBEHL