smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409268915	556636047	/nfs/dbraw/zinc/63/60/47/556636047.db2.gz	ZPTVVORCAIFMQG-UHFFFAOYSA-N	-1	1	431.404	4.529	40	5		IJBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408577331	557419049	/nfs/dbraw/zinc/41/90/49/557419049.db2.gz	YTTVGECBPDBQNU-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1	ZINC000014153984	557425936	/nfs/dbraw/zinc/42/59/36/557425936.db2.gz	YTHJZYFNPAHQKW-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002067674	568941206	/nfs/dbraw/zinc/94/12/06/568941206.db2.gz	XOKYZMSXGFNSFX-VIZOYTHASA-N	-1	1	433.423	4.633	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000216252856	569428615	/nfs/dbraw/zinc/42/86/15/569428615.db2.gz	LQYXQTWBNDFHNT-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409265197	556636304	/nfs/dbraw/zinc/63/63/04/556636304.db2.gz	RHFBTIPSKFIDAP-UHFFFAOYSA-N	-1	1	434.364	4.620	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c(C)c1	ZINC000409411710	557104512	/nfs/dbraw/zinc/10/45/12/557104512.db2.gz	KGSOQEWCWSIRPL-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000409412626	557109087	/nfs/dbraw/zinc/10/90/87/557109087.db2.gz	YSTNZIIWVGZCSZ-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000020105883	569333783	/nfs/dbraw/zinc/33/37/83/569333783.db2.gz	CRFFOSAEMPYWJB-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000224006142	568880360	/nfs/dbraw/zinc/88/03/60/568880360.db2.gz	LCBIMQYAPZJBPM-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
COc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409272430	556636713	/nfs/dbraw/zinc/63/67/13/556636713.db2.gz	YRYNHAJVURHNSJ-UHFFFAOYSA-N	-1	1	434.364	4.620	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000000832264	557278017	/nfs/dbraw/zinc/27/80/17/557278017.db2.gz	NAAIDEWJNWGTGA-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-]	ZINC000058058985	569249631	/nfs/dbraw/zinc/24/96/31/569249631.db2.gz	TXAIRNHGMNTBOS-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000223976351	568880160	/nfs/dbraw/zinc/88/01/60/568880160.db2.gz	QGOAZALNTZSAPJ-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000224526907	568937120	/nfs/dbraw/zinc/93/71/20/568937120.db2.gz	BVIZBOJUOKBDDV-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2C)cc1	ZINC000010364858	556333475	/nfs/dbraw/zinc/33/34/75/556333475.db2.gz	LMPSBSZLQBTNAR-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1[N+](=O)[O-]	ZINC000015438672	556527823	/nfs/dbraw/zinc/52/78/23/556527823.db2.gz	JDOLZUIVBNTYBA-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1	ZINC000408563135	557417097	/nfs/dbraw/zinc/41/70/97/557417097.db2.gz	JSQAOEVWTXODPY-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3[O-])oc2c1	ZINC000014270155	557429346	/nfs/dbraw/zinc/42/93/46/557429346.db2.gz	LIJGNDPKIDBHBM-UHFFFAOYSA-N	-1	1	448.460	4.544	40	5		IJBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-]	ZINC000015438806	569225542	/nfs/dbraw/zinc/22/55/42/569225542.db2.gz	NNWFBRQODDEOAP-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1nnc(Sc2ccc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)cc2[N+](=O)[O-])s1	ZINC000408987737	556910209	/nfs/dbraw/zinc/91/02/09/556910209.db2.gz	BTVDJVWKTKKONA-UHFFFAOYSA-N	-1	1	431.524	4.900	40	5		IJBBMM
COc1cccc(-c2nc3ccccc3c(=O)[n-]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409259513	557036399	/nfs/dbraw/zinc/03/63/99/557036399.db2.gz	ZZTGRQHAFJNXJQ-UHFFFAOYSA-N	-1	1	434.364	4.620	40	5		IJBBMM
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000409340080	557067874	/nfs/dbraw/zinc/06/78/74/557067874.db2.gz	QDGSATUMAMMRNX-UTCJRWHESA-N	-1	1	437.496	4.833	40	5		IJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408923982	556892708	/nfs/dbraw/zinc/89/27/08/556892708.db2.gz	IVEBRAATPLAXLC-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000408602314	557420787	/nfs/dbraw/zinc/42/07/87/557420787.db2.gz	CXDHYYZBPAMLMK-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1	ZINC000408907206	556623234	/nfs/dbraw/zinc/62/32/34/556623234.db2.gz	MQJNLVKUBDKAQW-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000224527179	568937179	/nfs/dbraw/zinc/93/71/79/568937179.db2.gz	KXWLSOSJJIWHED-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2C)cc1	ZINC000010370001	569224144	/nfs/dbraw/zinc/22/41/44/569224144.db2.gz	BSXBEXVJIUPTBU-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1	ZINC000408563099	557419163	/nfs/dbraw/zinc/41/91/63/557419163.db2.gz	IMZMSWZSAJNPQJ-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000010315215	569299653	/nfs/dbraw/zinc/29/96/53/569299653.db2.gz	VJNVWHWQYNSFET-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
O=[N+]([O-])c1ccc(Cc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1	ZINC000008835918	569477952	/nfs/dbraw/zinc/47/79/52/569477952.db2.gz	XZPVELYCHKRYNB-UHFFFAOYSA-N	-1	1	447.310	4.749	40	5		IJBBMM
COc1cc(-c2ccc(-c3nc4sc(C)c(C)c4c(=O)[n-]3)o2)cc([N+](=O)[O-])c1OC	ZINC000408983834	556907971	/nfs/dbraw/zinc/90/79/71/556907971.db2.gz	DJVFLGSFDRUEOA-UHFFFAOYSA-N	-1	1	427.438	4.866	40	5		IJBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-]	ZINC000058059022	569249624	/nfs/dbraw/zinc/24/96/24/569249624.db2.gz	TXLFJKPQKLPZCE-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000408908643	556886999	/nfs/dbraw/zinc/88/69/99/556886999.db2.gz	XCSHCDXKOBLFHN-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000224031972	568886049	/nfs/dbraw/zinc/88/60/49/568886049.db2.gz	PMFDPILGNOMNMT-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000010314873	569222759	/nfs/dbraw/zinc/22/27/59/569222759.db2.gz	JQZJSHJAHVMSCX-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000010328974	569223284	/nfs/dbraw/zinc/22/32/84/569223284.db2.gz	IYGFJRSSHQULKX-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
O=C(Nc1ccc(-c2nc3ncccc3o2)c([O-])c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000010372878	569299913	/nfs/dbraw/zinc/29/99/13/569299913.db2.gz	IEVJNGAFAIPSBG-UHFFFAOYSA-N	-1	1	444.447	4.954	40	5		IJBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000216402287	569429718	/nfs/dbraw/zinc/42/97/18/569429718.db2.gz	GJGRNRNVGPQLFB-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cccc1[N+](=O)[O-]	ZINC000020483638	525861440	/nfs/dbraw/zinc/86/14/40/525861440.db2.gz	SGQANNJPABHGES-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1	ZINC000015790967	568837993	/nfs/dbraw/zinc/83/79/93/568837993.db2.gz	VDQVVJTUIQEQAS-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)c1	ZINC000223951248	568879927	/nfs/dbraw/zinc/87/99/27/568879927.db2.gz	QEBPQFNZYSYCNV-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C)cc1	ZINC000010314266	569222503	/nfs/dbraw/zinc/22/25/03/569222503.db2.gz	SOXAUBFOXQANDZ-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1n[nH]c(SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n1	ZINC000409189992	556996030	/nfs/dbraw/zinc/99/60/30/556996030.db2.gz	PJTVASOKWGPFFX-JAIQZWGSSA-N	-1	1	449.492	4.551	40	5		IJBBMM
Cc1nc(SC(=Cc2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000409189992	556996033	/nfs/dbraw/zinc/99/60/33/556996033.db2.gz	PJTVASOKWGPFFX-JAIQZWGSSA-N	-1	1	449.492	4.551	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1	ZINC000223957836	568879885	/nfs/dbraw/zinc/87/98/85/568879885.db2.gz	PVYJIJPCMMKXQC-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000224527543	568937223	/nfs/dbraw/zinc/93/72/23/568937223.db2.gz	YOQJFDDOWWCPDL-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	ZINC000038756380	569468827	/nfs/dbraw/zinc/46/88/27/569468827.db2.gz	QGCOTKPNPGILEL-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n1	ZINC000409189558	556634023	/nfs/dbraw/zinc/63/40/23/556634023.db2.gz	QJKQSTBYEITIEF-CPSFFCFKSA-N	-1	1	441.252	4.806	40	5		IJBBMM
Cc1nc(SC(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000409189558	556634028	/nfs/dbraw/zinc/63/40/28/556634028.db2.gz	QJKQSTBYEITIEF-CPSFFCFKSA-N	-1	1	441.252	4.806	40	5		IJBBMM
O=c1[nH]c(C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409339227	556637279	/nfs/dbraw/zinc/63/72/79/556637279.db2.gz	SYBDXTHELDHRQR-BAQGIRSFSA-N	-1	1	434.235	4.852	40	5		IJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)c1	ZINC000409412743	557109106	/nfs/dbraw/zinc/10/91/06/557109106.db2.gz	ZZCKYOKKPUFOAF-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
O=c1[nH]c(C=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409345304	556637890	/nfs/dbraw/zinc/63/78/90/556637890.db2.gz	LDLUSDORLZCHPT-KRXBUXKQSA-N	-1	1	446.828	4.679	40	5		IJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408906497	556884438	/nfs/dbraw/zinc/88/44/38/556884438.db2.gz	BZXOKGUYWZNXGR-UHFFFAOYSA-N	-1	1	447.472	4.801	40	5		IJBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408576671	557420049	/nfs/dbraw/zinc/42/00/49/557420049.db2.gz	YOCKZBOJNDATGS-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000223943508	568879854	/nfs/dbraw/zinc/87/98/54/568879854.db2.gz	VUINROHRCFPYEC-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1	ZINC000408906653	556623251	/nfs/dbraw/zinc/62/32/51/556623251.db2.gz	CTZFOAFAQODJPQ-UHFFFAOYSA-N	-1	1	447.472	4.801	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1	ZINC000010314282	569222537	/nfs/dbraw/zinc/22/25/37/569222537.db2.gz	IKOXJHKYSCCWBR-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2C)cc1	ZINC000010315138	569299592	/nfs/dbraw/zinc/29/95/92/569299592.db2.gz	ISPKXEXRZNMEQY-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3[O-])oc2c1	ZINC000014270256	557332009	/nfs/dbraw/zinc/33/20/09/557332009.db2.gz	CZWBBFUNSBSVNG-UHFFFAOYSA-N	-1	1	448.460	4.544	40	5		IJBBMM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224527043	568937139	/nfs/dbraw/zinc/93/71/39/568937139.db2.gz	ANYAIJIXHJYBRS-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1	ZINC000218408338	569457353	/nfs/dbraw/zinc/45/73/53/569457353.db2.gz	KIJLYAVTNBWCIK-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409267187	557039702	/nfs/dbraw/zinc/03/97/02/557039702.db2.gz	TVECZUMEOKYCSG-UHFFFAOYSA-N	-1	1	431.404	4.529	40	5		IJBBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	ZINC000408562541	557418542	/nfs/dbraw/zinc/41/85/42/557418542.db2.gz	AGQBOYPFCCVYQL-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)cc1	ZINC000010313869	569222396	/nfs/dbraw/zinc/22/23/96/569222396.db2.gz	CEPNNQGIPKUTNM-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000038753955	569468843	/nfs/dbraw/zinc/46/88/43/569468843.db2.gz	PXSBPTFFWYJIBH-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1C	ZINC000032109512	568781218	/nfs/dbraw/zinc/78/12/18/568781218.db2.gz	NFYMMPRRXICENK-WQRHYEAKSA-N	-1	1	430.507	4.999	40	5		IJBBMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408564146	557418040	/nfs/dbraw/zinc/41/80/40/557418040.db2.gz	SADBPSMLXBUKTI-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1n[nH]c(SC(=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000409190175	556991156	/nfs/dbraw/zinc/99/11/56/556991156.db2.gz	LZLJXVBBXMFFJD-LICLKQGHSA-N	-1	1	428.495	4.699	40	5		IJBBMM
Cc1nc(SC(=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000409190175	556991159	/nfs/dbraw/zinc/99/11/59/556991159.db2.gz	LZLJXVBBXMFFJD-LICLKQGHSA-N	-1	1	428.495	4.699	40	5		IJBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1Cl	ZINC000409331000	557065286	/nfs/dbraw/zinc/06/52/86/557065286.db2.gz	NXFXMEUFQHAIJG-NTMALXAHSA-N	-1	1	443.843	4.598	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000224527397	568937114	/nfs/dbraw/zinc/93/71/14/568937114.db2.gz	WTRGXKXWQGBNRG-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
O=C1[N-]C(=S)NC1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	ZINC000001220700	562920968	/nfs/dbraw/zinc/92/09/68/562920968.db2.gz	IGWNLLMCDZHXFC-IZZDOVSWSA-N	-1	1	443.790	4.816	40	5	aggregator	IJBBMM
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000224052733	568889450	/nfs/dbraw/zinc/88/94/50/568889450.db2.gz	PKEUJOQVASMDDV-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2C)cc1	ZINC000010315285	569222711	/nfs/dbraw/zinc/22/27/11/569222711.db2.gz	WZVKIMSGBZZNKJ-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408908772	556623262	/nfs/dbraw/zinc/62/32/62/556623262.db2.gz	YQUZLRTUYLEURK-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3[O-])oc2c1	ZINC000009064856	569293435	/nfs/dbraw/zinc/29/34/35/569293435.db2.gz	LDQKMNHWPDBLCR-UHFFFAOYSA-N	-1	1	448.460	4.544	40	5		IJBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1	ZINC000409330687	557064950	/nfs/dbraw/zinc/06/49/50/557064950.db2.gz	LZWMTEVHYBIODA-POHAHGRESA-N	-1	1	443.843	4.598	40	5		IJBBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc2C)c1	ZINC000058163346	569249597	/nfs/dbraw/zinc/24/95/97/569249597.db2.gz	IMDTZXJCKSOXBW-UHFFFAOYSA-N	-1	1	439.493	4.573	40	5		IJBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000000808515	557217432	/nfs/dbraw/zinc/21/74/32/557217432.db2.gz	BLPZGRCOYZSZBK-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000408630557	557424250	/nfs/dbraw/zinc/42/42/50/557424250.db2.gz	BSBJAMIFALSRMU-LZYBPNLTSA-N	-1	1	446.872	4.568	40	5		IJBBMM
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cc([N+](=O)[O-])ccc2[O-])[nH]c1-c1ccccc1	ZINC000009010233	569292975	/nfs/dbraw/zinc/29/29/75/569292975.db2.gz	COQFELPCKZEHCG-UHFFFAOYSA-N	-1	1	432.392	4.941	40	5		IJBBMM
Cc1n[nH]c(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)[O-])n1	ZINC000409191476	556633644	/nfs/dbraw/zinc/63/36/44/556633644.db2.gz	IHQLBHMBSVJDAV-LICLKQGHSA-N	-1	1	428.495	4.699	40	5		IJBBMM
Cc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)[O-])n[nH]1	ZINC000409191476	556633648	/nfs/dbraw/zinc/63/36/48/556633648.db2.gz	IHQLBHMBSVJDAV-LICLKQGHSA-N	-1	1	428.495	4.699	40	5		IJBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000223976196	568880118	/nfs/dbraw/zinc/88/01/18/568880118.db2.gz	WIZYGFGDTGGZOJ-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cccc1[N+](=O)[O-]	ZINC000224032124	568886055	/nfs/dbraw/zinc/88/60/55/568886055.db2.gz	LXFSUHKNJWTDAH-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000224526761	568937133	/nfs/dbraw/zinc/93/71/33/568937133.db2.gz	ZVRWMTRGORTGIK-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-]	ZINC000058058880	569249633	/nfs/dbraw/zinc/24/96/33/569249633.db2.gz	GLPHZFASZQUVTM-UHFFFAOYSA-N	-1	1	445.884	4.610	40	5		IJBBMM