smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	ZINC000002864316	554390517	/nfs/dbraw/zinc/39/05/17/554390517.db2.gz	FCCGCAMEACEBNN-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
COc1ccc([N-]S(=O)(=O)c2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)ccc2Cl)cc1	ZINC000009086978	554889293	/nfs/dbraw/zinc/88/92/93/554889293.db2.gz	ADEKSKFDIWCGLY-UHFFFAOYSA-N	-2	3	451.844	3.903	50	5		JHBAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186303	555727603	/nfs/dbraw/zinc/72/76/03/555727603.db2.gz	OEEJMAFGZLMMAD-UHFFFAOYSA-N	-2	3	491.547	3.904	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186294	555727644	/nfs/dbraw/zinc/72/76/44/555727644.db2.gz	SHDMBAUTSPQSBH-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1	ZINC000002864335	554390499	/nfs/dbraw/zinc/39/04/99/554390499.db2.gz	FYWZZOVHXRUXAU-UHFFFAOYSA-N	-2	3	467.912	3.850	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1	ZINC000009246600	555022477	/nfs/dbraw/zinc/02/24/77/555022477.db2.gz	HHWNWIMDYVKDGT-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C	ZINC000002993212	194197208	/nfs/dbraw/zinc/19/72/08/194197208.db2.gz	QIKOOIIIGDFPBU-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
O=C([N-]c1nc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000009404340	555162736	/nfs/dbraw/zinc/16/27/36/555162736.db2.gz	NSSHVQGBKVNVEA-UHFFFAOYSA-N	-2	3	476.408	3.774	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	ZINC000003612261	194340695	/nfs/dbraw/zinc/34/06/95/194340695.db2.gz	SDQIJTRARQQKMC-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
COc1ccc([N-]S(=O)(=O)c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000009444205	555217088	/nfs/dbraw/zinc/21/70/88/555217088.db2.gz	WQGZAEGZXSEPQI-UHFFFAOYSA-N	-2	3	477.520	3.513	50	5		JHBAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000019940242	555558184	/nfs/dbraw/zinc/55/81/84/555558184.db2.gz	HTQOWHRTTYNVEV-UHFFFAOYSA-N	-2	3	465.466	3.837	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000016312549	525302863	/nfs/dbraw/zinc/30/28/63/525302863.db2.gz	APKTZBRTOMJCSE-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002866467	554392049	/nfs/dbraw/zinc/39/20/49/554392049.db2.gz	GJHLVYIORZUGGV-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000016391689	521133450	/nfs/dbraw/zinc/13/34/50/521133450.db2.gz	LVZAYYCWDKCWCP-UHFFFAOYSA-N	-2	3	477.520	3.595	50	5		JHBAHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)cc1	ZINC000089780769	569719856	/nfs/dbraw/zinc/71/98/56/569719856.db2.gz	VGDFRRLFMGGBLX-UHFFFAOYSA-N	-2	3	467.912	3.850	50	5		JHBAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000003991884	194368107	/nfs/dbraw/zinc/36/81/07/194368107.db2.gz	JTEYLYDAZLPERM-UHFFFAOYSA-N	-2	3	477.520	3.595	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000012525854	525305711	/nfs/dbraw/zinc/30/57/11/525305711.db2.gz	KTQIHXKKVBQCCI-UHFFFAOYSA-N	-2	3	479.511	3.952	50	5		JHBAHL
COc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4[O-])cn3)c([N+](=O)[O-])c2)cc1	ZINC000033526185	524690529	/nfs/dbraw/zinc/69/05/29/524690529.db2.gz	VWXJKETVGAKHJX-UHFFFAOYSA-N	-2	3	494.485	3.527	50	5		JHBAHL
O=c1nc(C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009234708	555008571	/nfs/dbraw/zinc/00/85/71/555008571.db2.gz	NGPFBTSWZZWHMD-XVNBXDOJSA-N	-2	3	462.231	3.622	50	5		JHBAHL
O=c1nc(C=Cc2cc(Br)ccc2OCc2ccc(F)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009235019	555008769	/nfs/dbraw/zinc/00/87/69/555008769.db2.gz	HFTBXAGPZPKYLL-XVNBXDOJSA-N	-2	3	462.231	3.622	50	5		JHBAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000009554129	555350662	/nfs/dbraw/zinc/35/06/62/555350662.db2.gz	ATOQSZKUOZUBKJ-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000002864311	554390533	/nfs/dbraw/zinc/39/05/33/554390533.db2.gz	WBZLXARHQBLUIY-UHFFFAOYSA-N	-2	3	477.520	3.595	50	5		JHBAHL
COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012520166	524654692	/nfs/dbraw/zinc/65/46/92/524654692.db2.gz	QJTZJNKYOLTSHM-UHFFFAOYSA-N	-2	3	485.453	3.672	50	5		JHBAHL
Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000040150896	569819798	/nfs/dbraw/zinc/81/97/98/569819798.db2.gz	XYOCHKDNCGXMGR-UHFFFAOYSA-N	-2	3	483.474	3.783	50	5		JHBAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000019799931	556376779	/nfs/dbraw/zinc/37/67/79/556376779.db2.gz	WZNKOZJKEWWTHY-UHFFFAOYSA-N	-2	3	493.476	3.867	50	5		JHBAHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000016156296	524693229	/nfs/dbraw/zinc/69/32/29/524693229.db2.gz	USWDZYQFGRMSSD-UHFFFAOYSA-N	-2	3	477.520	3.513	50	5		JHBAHL
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1	ZINC000089774660	569719633	/nfs/dbraw/zinc/71/96/33/569719633.db2.gz	LVCWDTGDNDOCHZ-UHFFFAOYSA-N	-2	3	467.912	3.850	50	5		JHBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1[N+](=O)[O-]	ZINC000016156375	525610319	/nfs/dbraw/zinc/61/03/19/525610319.db2.gz	ZTRBARMCAYMDCO-UHFFFAOYSA-N	-2	3	465.484	3.644	50	5		JHBAHL
COc1ccccc1[N-]S(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl	ZINC000009086977	554889259	/nfs/dbraw/zinc/88/92/59/554889259.db2.gz	IWRBZVQHWMZATG-UHFFFAOYSA-N	-2	3	451.844	3.903	50	5		JHBAHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002986302	194195505	/nfs/dbraw/zinc/19/55/05/194195505.db2.gz	CEHHMPWCPNJPQZ-UHFFFAOYSA-N	-2	3	461.521	3.813	50	5		JHBAHL