smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009356542	555121784	/nfs/dbraw/zinc/12/17/84/555121784.db2.gz	ZNCYGQUSAWTALM-UHFFFAOYSA-N	-2	0	477.520	3.513	50	5		JHBARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016291045	523844533	/nfs/dbraw/zinc/84/45/33/523844533.db2.gz	DBQIFLOJIBLWDN-UHFFFAOYSA-N	-2	0	477.520	3.513	50	5		JHBARL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000002860346	554386679	/nfs/dbraw/zinc/38/66/79/554386679.db2.gz	GBOPXGHJYPINGL-UHFFFAOYSA-N	-2	0	455.448	3.655	50	5		JHBARL
O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000002864792	554390895	/nfs/dbraw/zinc/39/08/95/554390895.db2.gz	VAMSVRKNQNTTIR-UHFFFAOYSA-N	-2	0	475.866	4.000	50	5		JHBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc2ccccc2c1	ZINC000009295527	555071680	/nfs/dbraw/zinc/07/16/80/555071680.db2.gz	IKHUAPWJVCCSLQ-YRNVUSSQSA-N	-2	0	488.456	3.733	50	5		JHBARL
O=C([O-])c1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C(=O)[O-]	ZINC000003143973	194231671	/nfs/dbraw/zinc/23/16/71/194231671.db2.gz	UNBNRZGQPGGNBV-UHFFFAOYSA-N	-2	0	467.346	3.944	50	5		JHBARL
CC(C)c1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000012383089	519845214	/nfs/dbraw/zinc/84/52/14/519845214.db2.gz	KQVUJQWXIDLROQ-XFXZXTDPSA-N	-2	0	450.451	3.695	50	5		JHBARL
O=C([O-])c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000002230262	554105075	/nfs/dbraw/zinc/10/50/75/554105075.db2.gz	HGERIPXNNFUNHH-UHFFFAOYSA-N	-2	0	465.447	3.781	50	5		JHBARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000006088982	554503851	/nfs/dbraw/zinc/50/38/51/554503851.db2.gz	WBCNPZMZGYFZCW-UHFFFAOYSA-N	-2	0	463.468	3.537	50	5		JHBARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000003991870	194368085	/nfs/dbraw/zinc/36/80/85/194368085.db2.gz	XDRIXTWGFNEBGN-UHFFFAOYSA-N	-2	0	477.520	3.513	50	5		JHBARL
O=C([O-])c1ccc(Oc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1C(=O)[O-]	ZINC000003144073	194231649	/nfs/dbraw/zinc/23/16/49/194231649.db2.gz	AGEPOPHGCNHKAY-UHFFFAOYSA-N	-2	0	467.346	3.944	50	5		JHBARL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000008628158	525608318	/nfs/dbraw/zinc/60/83/18/525608318.db2.gz	ONKHWZVQCUYVOK-UHFFFAOYSA-N	-2	0	461.521	3.813	50	5		JHBARL
O=C([O-])c1ccc(Oc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2)cc1C(=O)[O-]	ZINC000002949938	194177195	/nfs/dbraw/zinc/17/71/95/194177195.db2.gz	DWOUDCWIFGVOHR-UHFFFAOYSA-N	-2	0	452.375	3.801	50	5		JHBARL
O=C([O-])c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000006089034	526393670	/nfs/dbraw/zinc/39/36/70/526393670.db2.gz	UPWRPIZWKHGRFC-UHFFFAOYSA-N	-2	0	465.447	3.781	50	5		JHBARL
O=C([O-])c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000008914750	554807915	/nfs/dbraw/zinc/80/79/15/554807915.db2.gz	LTWYLEHAQYYVSL-UHFFFAOYSA-N	-2	0	465.447	3.781	50	5		JHBARL
O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000104202962	569842920	/nfs/dbraw/zinc/84/29/20/569842920.db2.gz	VZHWDFOBMSXVGL-UHFFFAOYSA-N	-2	0	461.126	3.925	50	5		JHBARL
CC(C)c1ccccc1NC(=O)COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009234769	555008620	/nfs/dbraw/zinc/00/86/20/555008620.db2.gz	KQVUJQWXIDLROQ-FMIVXFBMSA-N	-2	0	450.451	3.695	50	5		JHBARL
O=C([O-])[C@H](Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002392279	554179891	/nfs/dbraw/zinc/17/98/91/554179891.db2.gz	UQHMVDPPLJEJHZ-IBGZPJMESA-N	-2	0	493.428	3.743	50	5		JHBARL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)[N-]c2ccccc2)c1C	ZINC000012541681	556015901	/nfs/dbraw/zinc/01/59/01/556015901.db2.gz	GVYMPWAAUQNSAE-UHFFFAOYSA-N	-2	0	461.521	3.813	50	5		JHBARL
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2cc(C(=O)c3ccccc3[O-])cn2)cc1	ZINC000009662319	555367784	/nfs/dbraw/zinc/36/77/84/555367784.db2.gz	JOKYJBOGEOVZEH-UHFFFAOYSA-N	-2	0	494.485	3.527	50	5		JHBARL
O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2Cl)c1	ZINC000002860363	554386682	/nfs/dbraw/zinc/38/66/82/554386682.db2.gz	QNNRUXIGEXFQSX-UHFFFAOYSA-N	-2	0	475.866	4.000	50	5		JHBARL