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]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000163843546	524511353	/nfs/dbraw/zinc/51/13/53/524511353.db2.gz	VCUFKGJAHIBWBI-PWSUYJOCSA-N	2	2	297.786	2.665	10	5		CFBELP
C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000163843546	524511360	/nfs/dbraw/zinc/51/13/60/524511360.db2.gz	VCUFKGJAHIBWBI-PWSUYJOCSA-N	2	2	297.786	2.665	10	5		CFBELP
C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157892986	524844776	/nfs/dbraw/zinc/84/47/76/524844776.db2.gz	CPVXNXWJVWLGFP-CMPLNLGQSA-N	2	2	297.786	2.807	10	5		CFBELP
C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157892986	524844790	/nfs/dbraw/zinc/84/47/90/524844790.db2.gz	CPVXNXWJVWLGFP-CMPLNLGQSA-N	2	2	297.786	2.807	10	5		CFBELP
C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000049553773	524170730	/nfs/dbraw/zinc/17/07/30/524170730.db2.gz	QEBJGECXAZZZJG-VXGBXAGGSA-N	2	2	265.357	2.586	10	5		CFBELP
CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259019	382612862	/nfs/dbraw/zinc/61/28/62/382612862.db2.gz	CVCXDFNFUOGAIX-TZMCWYRMSA-N	2	2	277.368	2.648	10	5		CFBELP
CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259019	382612863	/nfs/dbraw/zinc/61/28/63/382612863.db2.gz	CVCXDFNFUOGAIX-TZMCWYRMSA-N	2	2	277.368	2.648	10	5		CFBELP
C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000052206276	523792065	/nfs/dbraw/zinc/79/20/65/523792065.db2.gz	XTQDEFHPHRLCRP-CQSZACIVSA-N	2	2	277.368	2.559	10	5		CFBELP
C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000052206276	523792071	/nfs/dbraw/zinc/79/20/71/523792071.db2.gz	XTQDEFHPHRLCRP-CQSZACIVSA-N	2	2	277.368	2.559	10	5		CFBELP
C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893110	525012037	/nfs/dbraw/zinc/01/20/37/525012037.db2.gz	CPVXNXWJVWLGFP-ZYHUDNBSSA-N	2	2	297.786	2.807	10	5		CFBELP
C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893110	525012044	/nfs/dbraw/zinc/01/20/44/525012044.db2.gz	CPVXNXWJVWLGFP-ZYHUDNBSSA-N	2	2	297.786	2.807	10	5		CFBELP
CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457780	382614106	/nfs/dbraw/zinc/61/41/06/382614106.db2.gz	RQWUSHARGQGJMR-DZGCQCFKSA-N	2	2	277.368	2.730	10	5		CFBELP
CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457780	382614110	/nfs/dbraw/zinc/61/41/10/382614110.db2.gz	RQWUSHARGQGJMR-DZGCQCFKSA-N	2	2	277.368	2.730	10	5		CFBELP
C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1	ZINC000231670962	382865805	/nfs/dbraw/zinc/86/58/05/382865805.db2.gz	NRXXJSHYCXQNJD-CYBMUJFWSA-N	2	2	297.786	2.822	10	5		CFBELP
C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1	ZINC000231670962	382865808	/nfs/dbraw/zinc/86/58/08/382865808.db2.gz	NRXXJSHYCXQNJD-CYBMUJFWSA-N	2	2	297.786	2.822	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412182	394107339	/nfs/dbraw/zinc/10/73/39/394107339.db2.gz	YNJLXDOBADKVIH-BYCMXARLSA-N	2	2	277.368	2.586	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412182	394107344	/nfs/dbraw/zinc/10/73/44/394107344.db2.gz	YNJLXDOBADKVIH-BYCMXARLSA-N	2	2	277.368	2.586	10	5		CFBELP
CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1	ZINC000049555389	519846797	/nfs/dbraw/zinc/84/67/97/519846797.db2.gz	WGDGIQFPVDLGDO-UHFFFAOYSA-N	2	2	295.358	2.698	10	5		CFBELP
C[N+](C)(C)CCN(Cc1ccccc1)c1cccc[nH+]1	ZINC000031283978	717119522	/nfs/dbraw/zinc/11/95/22/717119522.db2.gz	UDNMSFMBZBZAOB-UHFFFAOYSA-N	2	2	270.400	2.794	10	5		CFBELP
CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000088750750	374863039	/nfs/dbraw/zinc/86/30/39/374863039.db2.gz	SSWPFVVZZRNVEO-ZDUSSCGKSA-N	2	2	260.297	2.559	10	5		CFBELP
C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000040591666	174346956	/nfs/dbraw/zinc/34/69/56/174346956.db2.gz	YEUPMNSRZBKCTC-UONOGXRCSA-N	2	2	291.395	2.896	10	5		CFBELP
C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000040591666	174346959	/nfs/dbraw/zinc/34/69/59/174346959.db2.gz	YEUPMNSRZBKCTC-UONOGXRCSA-N	2	2	291.395	2.896	10	5		CFBELP
CCC[N@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748566	174393876	/nfs/dbraw/zinc/39/38/76/174393876.db2.gz	BFZCQKFHSXZSAM-FUNVUKJBSA-N	2	2	293.367	2.683	10	5		CFBELP
CCC[N@@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748566	174393877	/nfs/dbraw/zinc/39/38/77/174393877.db2.gz	BFZCQKFHSXZSAM-FUNVUKJBSA-N	2	2	293.367	2.683	10	5		CFBELP
CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000045134932	175312866	/nfs/dbraw/zinc/31/28/66/175312866.db2.gz	IMICPBIDJMGGDV-GFCCVEGCSA-N	2	2	295.358	2.554	10	5		CFBELP
CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000045134932	175312867	/nfs/dbraw/zinc/31/28/67/175312867.db2.gz	IMICPBIDJMGGDV-GFCCVEGCSA-N	2	2	295.358	2.554	10	5		CFBELP
C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893415	525022837	/nfs/dbraw/zinc/02/28/37/525022837.db2.gz	CPVXNXWJVWLGFP-PWSUYJOCSA-N	2	2	297.786	2.807	10	5		CFBELP
C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893415	525022853	/nfs/dbraw/zinc/02/28/53/525022853.db2.gz	CPVXNXWJVWLGFP-PWSUYJOCSA-N	2	2	297.786	2.807	10	5		CFBELP
CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259012	382612564	/nfs/dbraw/zinc/61/25/64/382612564.db2.gz	CVCXDFNFUOGAIX-GXTWGEPZSA-N	2	2	277.368	2.648	10	5		CFBELP
CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259012	382612568	/nfs/dbraw/zinc/61/25/68/382612568.db2.gz	CVCXDFNFUOGAIX-GXTWGEPZSA-N	2	2	277.368	2.648	10	5		CFBELP
C[NH+]1CCN(Nc2cc[nH+]c3cc4ccccc4cc23)CC1	ZINC000045289775	175354076	/nfs/dbraw/zinc/35/40/76/175354076.db2.gz	IEHGWKJNDQJCCW-UHFFFAOYSA-N	2	2	292.386	2.962	10	5		CFBELP
CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457785	382614422	/nfs/dbraw/zinc/61/44/22/382614422.db2.gz	RQWUSHARGQGJMR-ZFWWWQNUSA-N	2	2	277.368	2.730	10	5		CFBELP
CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457785	382614423	/nfs/dbraw/zinc/61/44/23/382614423.db2.gz	RQWUSHARGQGJMR-ZFWWWQNUSA-N	2	2	277.368	2.730	10	5		CFBELP
CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747419	174392765	/nfs/dbraw/zinc/39/27/65/174392765.db2.gz	CIVAKRCWKUJZBF-FUNVUKJBSA-N	2	2	295.408	2.761	10	5		CFBELP
CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747419	174392767	/nfs/dbraw/zinc/39/27/67/174392767.db2.gz	CIVAKRCWKUJZBF-FUNVUKJBSA-N	2	2	295.408	2.761	10	5		CFBELP
C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000052206279	523798550	/nfs/dbraw/zinc/79/85/50/523798550.db2.gz	XTQDEFHPHRLCRP-AWEZNQCLSA-N	2	2	277.368	2.559	10	5		CFBELP
C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000052206279	523798554	/nfs/dbraw/zinc/79/85/54/523798554.db2.gz	XTQDEFHPHRLCRP-AWEZNQCLSA-N	2	2	277.368	2.559	10	5		CFBELP
C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1	ZINC000231668220	623362653	/nfs/dbraw/zinc/36/26/53/623362653.db2.gz	NNKYSYVYZVYXOC-CYBMUJFWSA-N	2	2	297.786	2.822	10	5		CFBELP
C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1	ZINC000231668220	623362656	/nfs/dbraw/zinc/36/26/56/623362656.db2.gz	NNKYSYVYZVYXOC-CYBMUJFWSA-N	2	2	297.786	2.822	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412184	382604232	/nfs/dbraw/zinc/60/42/32/382604232.db2.gz	YNJLXDOBADKVIH-TUKIKUTGSA-N	2	2	277.368	2.586	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412184	382604236	/nfs/dbraw/zinc/60/42/36/382604236.db2.gz	YNJLXDOBADKVIH-TUKIKUTGSA-N	2	2	277.368	2.586	10	5		CFBELP
C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535617	175199069	/nfs/dbraw/zinc/19/90/69/175199069.db2.gz	RWVBWAMRSMDFPK-OLZOCXBDSA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535617	175199071	/nfs/dbraw/zinc/19/90/71/175199071.db2.gz	RWVBWAMRSMDFPK-OLZOCXBDSA-N	2	2	277.368	2.587	10	5		CFBELP
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C[NH3+]	ZINC000044539479	175200942	/nfs/dbraw/zinc/20/09/42/175200942.db2.gz	SAFZTEHEBPKLLG-CABCVRRESA-N	2	2	277.368	2.859	10	5		CFBELP
CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C[NH3+]	ZINC000044539479	175200943	/nfs/dbraw/zinc/20/09/43/175200943.db2.gz	SAFZTEHEBPKLLG-CABCVRRESA-N	2	2	277.368	2.859	10	5		CFBELP
CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412185	382603617	/nfs/dbraw/zinc/60/36/17/382603617.db2.gz	YNJLXDOBADKVIH-UGFHNGPFSA-N	2	2	277.368	2.586	10	5		CFBELP
CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412185	382603619	/nfs/dbraw/zinc/60/36/19/382603619.db2.gz	YNJLXDOBADKVIH-UGFHNGPFSA-N	2	2	277.368	2.586	10	5		CFBELP
CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000049555705	519775627	/nfs/dbraw/zinc/77/56/27/519775627.db2.gz	NJRURAUTJHZJOJ-HNNXBMFYSA-N	2	2	293.411	2.703	10	5		CFBELP
C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000049553770	524479495	/nfs/dbraw/zinc/47/94/95/524479495.db2.gz	QEBJGECXAZZZJG-RYUDHWBXSA-N	2	2	265.357	2.586	10	5		CFBELP
CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457783	382614312	/nfs/dbraw/zinc/61/43/12/382614312.db2.gz	RQWUSHARGQGJMR-UKRRQHHQSA-N	2	2	277.368	2.730	10	5		CFBELP
CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457783	382614316	/nfs/dbraw/zinc/61/43/16/382614316.db2.gz	RQWUSHARGQGJMR-UKRRQHHQSA-N	2	2	277.368	2.730	10	5		CFBELP
C[NH+](C)CCNC(=O)c1ccc2[nH+]c3ccccc3cc2c1	ZINC000005140443	170070335	/nfs/dbraw/zinc/07/03/35/170070335.db2.gz	UONBXWFMVOLGBH-UHFFFAOYSA-N	2	2	293.370	2.679	10	5		CFBELP
CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000045134933	175312508	/nfs/dbraw/zinc/31/25/08/175312508.db2.gz	IMICPBIDJMGGDV-LBPRGKRZSA-N	2	2	295.358	2.554	10	5		CFBELP
CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1	ZINC000045134933	175312510	/nfs/dbraw/zinc/31/25/10/175312510.db2.gz	IMICPBIDJMGGDV-LBPRGKRZSA-N	2	2	295.358	2.554	10	5		CFBELP
CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259017	382612362	/nfs/dbraw/zinc/61/23/62/382612362.db2.gz	CVCXDFNFUOGAIX-OCCSQVGLSA-N	2	2	277.368	2.648	10	5		CFBELP
CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259017	382612370	/nfs/dbraw/zinc/61/23/70/382612370.db2.gz	CVCXDFNFUOGAIX-OCCSQVGLSA-N	2	2	277.368	2.648	10	5		CFBELP
C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535615	175198278	/nfs/dbraw/zinc/19/82/78/175198278.db2.gz	RWVBWAMRSMDFPK-STQMWFEESA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535615	175198280	/nfs/dbraw/zinc/19/82/80/175198280.db2.gz	RWVBWAMRSMDFPK-STQMWFEESA-N	2	2	277.368	2.587	10	5		CFBELP
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C[NH3+]	ZINC000044539481	175200960	/nfs/dbraw/zinc/20/09/60/175200960.db2.gz	SAFZTEHEBPKLLG-HUUCEWRRSA-N	2	2	277.368	2.859	10	5		CFBELP
CC[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C[NH3+]	ZINC000044539481	175200962	/nfs/dbraw/zinc/20/09/62/175200962.db2.gz	SAFZTEHEBPKLLG-HUUCEWRRSA-N	2	2	277.368	2.859	10	5		CFBELP
C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893251	524859167	/nfs/dbraw/zinc/85/91/67/524859167.db2.gz	CPVXNXWJVWLGFP-JQWIXIFHSA-N	2	2	297.786	2.807	10	5		CFBELP
C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000157893251	524859176	/nfs/dbraw/zinc/85/91/76/524859176.db2.gz	CPVXNXWJVWLGFP-JQWIXIFHSA-N	2	2	297.786	2.807	10	5		CFBELP
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1	ZINC000177100269	189028585	/nfs/dbraw/zinc/02/85/85/189028585.db2.gz	ZGBZRADGWAWVGP-GFCCVEGCSA-N	2	2	292.364	2.517	10	5		CFBELP
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1	ZINC000177100269	189028586	/nfs/dbraw/zinc/02/85/86/189028586.db2.gz	ZGBZRADGWAWVGP-GFCCVEGCSA-N	2	2	292.364	2.517	10	5		CFBELP
CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412183	382603963	/nfs/dbraw/zinc/60/39/63/382603963.db2.gz	YNJLXDOBADKVIH-CQDKDKBSSA-N	2	2	277.368	2.586	10	5		CFBELP
CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1	ZINC000358412183	382603968	/nfs/dbraw/zinc/60/39/68/382603968.db2.gz	YNJLXDOBADKVIH-CQDKDKBSSA-N	2	2	277.368	2.586	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457781	382613864	/nfs/dbraw/zinc/61/38/64/382613864.db2.gz	RQWUSHARGQGJMR-HIFRSBDPSA-N	2	2	277.368	2.730	10	5		CFBELP
CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1cccc([N+](=O)[O-])c1	ZINC000389457781	382613866	/nfs/dbraw/zinc/61/38/66/382613866.db2.gz	RQWUSHARGQGJMR-HIFRSBDPSA-N	2	2	277.368	2.730	10	5		CFBELP
C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443748	524961554	/nfs/dbraw/zinc/96/15/54/524961554.db2.gz	FOMDQDFVXZNOMM-JTQLQIEISA-N	2	2	294.742	2.623	10	5		CFBELP
Cc1cc(NCCC[NH+](C)C)c2c(cccc2[N+](=O)[O-])[nH+]1	ZINC000028771470	372369709	/nfs/dbraw/zinc/36/97/09/372369709.db2.gz	UPMLTCJVJYWXJW-UHFFFAOYSA-N	2	2	288.351	2.815	10	5		CFBELP
C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000049553771	524167410	/nfs/dbraw/zinc/16/74/10/524167410.db2.gz	QEBJGECXAZZZJG-NEPJUHHUSA-N	2	2	265.357	2.586	10	5		CFBELP
C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1	ZINC000071189065	176064568	/nfs/dbraw/zinc/06/45/68/176064568.db2.gz	JEOLEMDNASJFJT-GFCCVEGCSA-N	2	2	297.786	2.632	10	5		CFBELP
C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](C)C1	ZINC000071189065	176064570	/nfs/dbraw/zinc/06/45/70/176064570.db2.gz	JEOLEMDNASJFJT-GFCCVEGCSA-N	2	2	297.786	2.632	10	5		CFBELP
C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](C)C1	ZINC000071189065	176064571	/nfs/dbraw/zinc/06/45/71/176064571.db2.gz	JEOLEMDNASJFJT-GFCCVEGCSA-N	2	2	297.786	2.632	10	5		CFBELP
C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](C)C1	ZINC000071189065	176064572	/nfs/dbraw/zinc/06/45/72/176064572.db2.gz	JEOLEMDNASJFJT-GFCCVEGCSA-N	2	2	297.786	2.632	10	5		CFBELP
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1	ZINC000177100255	189028380	/nfs/dbraw/zinc/02/83/80/189028380.db2.gz	ZGBZRADGWAWVGP-LBPRGKRZSA-N	2	2	292.364	2.517	10	5		CFBELP
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1	ZINC000177100255	189028381	/nfs/dbraw/zinc/02/83/81/189028381.db2.gz	ZGBZRADGWAWVGP-LBPRGKRZSA-N	2	2	292.364	2.517	10	5		CFBELP
CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747544	174392908	/nfs/dbraw/zinc/39/29/08/174392908.db2.gz	QRKMTROWKLQZTA-YIONKMFJSA-N	2	2	289.379	2.700	10	5		CFBELP
CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747544	174392909	/nfs/dbraw/zinc/39/29/09/174392909.db2.gz	QRKMTROWKLQZTA-YIONKMFJSA-N	2	2	289.379	2.700	10	5		CFBELP
[NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050444816	527146756	/nfs/dbraw/zinc/14/67/56/527146756.db2.gz	KHOGCOGDHPAFLB-YHWZYXNKSA-N	2	2	295.770	2.702	10	5		CFBELP
[NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050444816	527146758	/nfs/dbraw/zinc/14/67/58/527146758.db2.gz	KHOGCOGDHPAFLB-YHWZYXNKSA-N	2	2	295.770	2.702	10	5		CFBELP
C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526188	278344686	/nfs/dbraw/zinc/34/46/86/278344686.db2.gz	YBZSHJRNCTZJDD-CYBMUJFWSA-N	2	2	277.368	2.731	10	5		CFBELP
C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443079	524046373	/nfs/dbraw/zinc/04/63/73/524046373.db2.gz	RNIBFGTXAGCCQC-UHFFFAOYSA-N	2	2	299.802	2.926	10	5		CFBELP
C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-]	ZINC000049553772	525597105	/nfs/dbraw/zinc/59/71/05/525597105.db2.gz	QEBJGECXAZZZJG-NWDGAFQWSA-N	2	2	265.357	2.586	10	5		CFBELP
[NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000157890669	527192076	/nfs/dbraw/zinc/19/20/76/527192076.db2.gz	TXTLNZHDFJCXDG-LBPRGKRZSA-N	2	2	297.786	2.952	10	5		CFBELP
[NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000157890669	527192081	/nfs/dbraw/zinc/19/20/81/527192081.db2.gz	TXTLNZHDFJCXDG-LBPRGKRZSA-N	2	2	297.786	2.952	10	5		CFBELP
CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1	ZINC000050444802	521311008	/nfs/dbraw/zinc/31/10/08/521311008.db2.gz	KSTNKYKODSCLDR-UHFFFAOYSA-N	2	2	297.786	2.822	10	5		CFBELP
CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1	ZINC000050444802	521311018	/nfs/dbraw/zinc/31/10/18/521311018.db2.gz	KSTNKYKODSCLDR-UHFFFAOYSA-N	2	2	297.786	2.822	10	5		CFBELP
C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443879	524473632	/nfs/dbraw/zinc/47/36/32/524473632.db2.gz	DLMKVDDAAOCRKX-JTQLQIEISA-N	2	2	285.775	2.678	10	5		CFBELP
[NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000157890526	527194294	/nfs/dbraw/zinc/19/42/94/527194294.db2.gz	TXTLNZHDFJCXDG-GFCCVEGCSA-N	2	2	297.786	2.952	10	5		CFBELP
[NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000157890526	527194295	/nfs/dbraw/zinc/19/42/95/527194295.db2.gz	TXTLNZHDFJCXDG-GFCCVEGCSA-N	2	2	297.786	2.952	10	5		CFBELP
C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1	ZINC000231668224	623362213	/nfs/dbraw/zinc/36/22/13/623362213.db2.gz	NNKYSYVYZVYXOC-ZDUSSCGKSA-N	2	2	297.786	2.822	10	5		CFBELP
C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1	ZINC000231668224	623362220	/nfs/dbraw/zinc/36/22/20/623362220.db2.gz	NNKYSYVYZVYXOC-ZDUSSCGKSA-N	2	2	297.786	2.822	10	5		CFBELP
C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535619	175198520	/nfs/dbraw/zinc/19/85/20/175198520.db2.gz	RWVBWAMRSMDFPK-QWHCGFSZSA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535619	175198521	/nfs/dbraw/zinc/19/85/21/175198521.db2.gz	RWVBWAMRSMDFPK-QWHCGFSZSA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000098025220	185675952	/nfs/dbraw/zinc/67/59/52/185675952.db2.gz	DFCKTKOLDKKOKR-JTQLQIEISA-N	2	2	294.742	2.623	10	5		CFBELP
C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1	ZINC000071189064	176064549	/nfs/dbraw/zinc/06/45/49/176064549.db2.gz	JEOLEMDNASJFJT-LBPRGKRZSA-N	2	2	297.786	2.632	10	5		CFBELP
C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](C)C1	ZINC000071189064	176064550	/nfs/dbraw/zinc/06/45/50/176064550.db2.gz	JEOLEMDNASJFJT-LBPRGKRZSA-N	2	2	297.786	2.632	10	5		CFBELP
C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](C)C1	ZINC000071189064	176064551	/nfs/dbraw/zinc/06/45/51/176064551.db2.gz	JEOLEMDNASJFJT-LBPRGKRZSA-N	2	2	297.786	2.632	10	5		CFBELP
C[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1	ZINC000071189064	176064553	/nfs/dbraw/zinc/06/45/53/176064553.db2.gz	JEOLEMDNASJFJT-LBPRGKRZSA-N	2	2	297.786	2.632	10	5		CFBELP
C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535621	175198546	/nfs/dbraw/zinc/19/85/46/175198546.db2.gz	RWVBWAMRSMDFPK-CHWSQXEVSA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-]	ZINC000044535621	175198547	/nfs/dbraw/zinc/19/85/47/175198547.db2.gz	RWVBWAMRSMDFPK-CHWSQXEVSA-N	2	2	277.368	2.587	10	5		CFBELP
C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000050443881	524164867	/nfs/dbraw/zinc/16/48/67/524164867.db2.gz	DLMKVDDAAOCRKX-SNVBAGLBSA-N	2	2	285.775	2.678	10	5		CFBELP
C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000163843664	524293115	/nfs/dbraw/zinc/29/31/15/524293115.db2.gz	VCUFKGJAHIBWBI-JQWIXIFHSA-N	2	2	297.786	2.665	10	5		CFBELP
C[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000163843664	524293119	/nfs/dbraw/zinc/29/31/19/524293119.db2.gz	VCUFKGJAHIBWBI-JQWIXIFHSA-N	2	2	297.786	2.665	10	5		CFBELP
C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526189	171239038	/nfs/dbraw/zinc/23/90/38/171239038.db2.gz	YBZSHJRNCTZJDD-ZDUSSCGKSA-N	2	2	277.368	2.731	10	5		CFBELP
C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1	ZINC000231670966	523229123	/nfs/dbraw/zinc/22/91/23/523229123.db2.gz	NRXXJSHYCXQNJD-ZDUSSCGKSA-N	2	2	297.786	2.822	10	5		CFBELP
C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1	ZINC000231670966	523229130	/nfs/dbraw/zinc/22/91/30/523229130.db2.gz	NRXXJSHYCXQNJD-ZDUSSCGKSA-N	2	2	297.786	2.822	10	5		CFBELP
CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259014	382612622	/nfs/dbraw/zinc/61/26/22/382612622.db2.gz	CVCXDFNFUOGAIX-JSGCOSHPSA-N	2	2	277.368	2.648	10	5		CFBELP
CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1	ZINC000389259014	382612625	/nfs/dbraw/zinc/61/26/25/382612625.db2.gz	CVCXDFNFUOGAIX-JSGCOSHPSA-N	2	2	277.368	2.648	10	5		CFBELP
CC(C)C[C@H](C[NH+](C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000049555706	519339282	/nfs/dbraw/zinc/33/92/82/519339282.db2.gz	NJRURAUTJHZJOJ-OAHLLOKOSA-N	2	2	293.411	2.703	10	5		CFBELP
CC[NH+](CC)CC[N+](C)(C)C(=O)Nc1ccccc1OC	ZINC000585668465	717185014	/nfs/dbraw/zinc/18/50/14/717185014.db2.gz	NRCPHXBZSLUWAZ-UHFFFAOYSA-O	2	2	294.419	2.645	10	5		CFBELP