smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000120809542	195242451	/nfs/dbraw/zinc/24/24/51/195242451.db2.gz	JJGQGUDIWOVXCX-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
CCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000014397657	431591231	/nfs/dbraw/zinc/59/12/31/431591231.db2.gz	AJICDMPYBXMAQO-UHFFFAOYSA-N	-1	1	320.370	3.266	40	5		DGBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1	ZINC000226862634	432708140	/nfs/dbraw/zinc/70/81/40/432708140.db2.gz	JHCDFXHFDJZZNO-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000005234078	181218779	/nfs/dbraw/zinc/21/87/79/181218779.db2.gz	FNTICIFIQHQJRC-UHFFFAOYSA-N	-1	1	320.370	3.321	40	5		DGBBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862710	432708643	/nfs/dbraw/zinc/70/86/43/432708643.db2.gz	FQWMDHCLQVMJKY-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000007053238	331500654	/nfs/dbraw/zinc/50/06/54/331500654.db2.gz	RLROHLHCWSNQON-UHFFFAOYSA-N	-1	1	306.343	3.012	40	5		DGBBMM
O=[N+]([O-])c1cc(Cl)ccc1Sc1n[n-]c(C(F)F)n1	ZINC000216903835	432652975	/nfs/dbraw/zinc/65/29/75/432652975.db2.gz	JGUZFCOUJPDYJZ-UHFFFAOYSA-N	-1	1	306.681	3.455	40	5		DGBBMM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1F	ZINC000135682179	432132997	/nfs/dbraw/zinc/13/29/97/432132997.db2.gz	QBGHPMJUSOKFAE-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1cc([N+](=O)[O-])ccc1Sc1n[n-]c(C(F)(F)F)n1	ZINC000078406575	431667718	/nfs/dbraw/zinc/66/77/18/431667718.db2.gz	SXGRBQFCTVRJIA-UHFFFAOYSA-N	-1	1	304.253	3.191	40	5		DGBBMM
O=[N+]([O-])c1cccc(Cl)c1Sc1n[n-]c(C(F)F)n1	ZINC000216905075	432652063	/nfs/dbraw/zinc/65/20/63/432652063.db2.gz	DGMKKNZYSBQNQS-UHFFFAOYSA-N	-1	1	306.681	3.455	40	5		DGBBMM
CCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000005257039	181223000	/nfs/dbraw/zinc/22/30/00/181223000.db2.gz	JZEPXAKHRALQPR-UHFFFAOYSA-N	-1	1	320.370	3.266	40	5		DGBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000005598831	292294963	/nfs/dbraw/zinc/29/49/63/292294963.db2.gz	DPDJHOURRTVZOY-UHFFFAOYSA-N	-1	1	320.370	3.321	40	5		DGBBMM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000192726203	432406222	/nfs/dbraw/zinc/40/62/22/432406222.db2.gz	RECAABAORMPAFU-UHFFFAOYSA-N	-1	1	318.763	3.111	40	5		DGBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000042665509	183295652	/nfs/dbraw/zinc/29/56/52/183295652.db2.gz	VQERHJIYDGMRSQ-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1	ZINC000014253955	431588696	/nfs/dbraw/zinc/58/86/96/431588696.db2.gz	CKHLCEHAAPDOGJ-UHFFFAOYSA-N	-1	1	320.370	3.321	40	5		DGBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000105589401	194112661	/nfs/dbraw/zinc/11/26/61/194112661.db2.gz	MQMSPCOMTNSBOI-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1	ZINC000007053292	431330217	/nfs/dbraw/zinc/33/02/17/431330217.db2.gz	YUGZKWQTIDHZLG-UHFFFAOYSA-N	-1	1	320.370	3.321	40	5		DGBBMM
Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000004891876	181168612	/nfs/dbraw/zinc/16/86/12/181168612.db2.gz	NOVDGQISQJVZGI-UHFFFAOYSA-N	-1	1	306.343	3.012	40	5		DGBBMM
CCOC(=O)c1nc([N-]c2ccccc2[N+](=O)[O-])sc1C	ZINC000604941578	430552871	/nfs/dbraw/zinc/55/28/71/430552871.db2.gz	KCDSWSKTFOLEOE-UHFFFAOYSA-N	-1	1	307.331	3.280	40	5		DGBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1C	ZINC000226862745	432708508	/nfs/dbraw/zinc/70/85/08/432708508.db2.gz	AXPNHDHBZQQPNQ-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
Cc1ccc(Sc2n[n-]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406543	431666844	/nfs/dbraw/zinc/66/68/44/431666844.db2.gz	MWCOSWULFMSWHW-UHFFFAOYSA-N	-1	1	304.253	3.191	40	5		DGBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1	ZINC000226862591	432708555	/nfs/dbraw/zinc/70/85/55/432708555.db2.gz	NURUSRRTTOFYRG-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000014255561	431588197	/nfs/dbraw/zinc/58/81/97/431588197.db2.gz	VEXNVXYJPIEBQG-UHFFFAOYSA-N	-1	1	320.370	3.266	40	5		DGBBMM
Cn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n[n-]c1=S	ZINC000228975609	546270924	/nfs/dbraw/zinc/27/09/24/546270924.db2.gz	XZHDBJGOTVJEFO-UHFFFAOYSA-N	-1	1	302.315	3.313	40	5		DGBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1C	ZINC000226862671	432707693	/nfs/dbraw/zinc/70/76/93/432707693.db2.gz	FVTQYKQTLOGQAU-UHFFFAOYSA-N	-1	1	324.333	3.152	40	5		DGBBMM