smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1[O-]	ZINC000409412571	556639579	/nfs/dbraw/zinc/63/95/79/556639579.db2.gz	XTQHVVVKALUJBD-UHFFFAOYSA-N	-1	3	433.877	3.963	40	5		IHBBHM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101074526	557224906	/nfs/dbraw/zinc/22/49/06/557224906.db2.gz	MXBNLMMPMIDQOU-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@H]2C(=O)[N-]C(SC)=NN12	ZINC000588229107	569145664	/nfs/dbraw/zinc/14/56/64/569145664.db2.gz	FDGZPTMNJUPALL-ZWKOTPCHSA-N	-1	3	427.486	3.615	40	5		IHBBHM
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000018067336	569284767	/nfs/dbraw/zinc/28/47/67/569284767.db2.gz	GFEQTTSYRQKZLP-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101091606	557242931	/nfs/dbraw/zinc/24/29/31/557242931.db2.gz	KQVZEZIPDVBIAL-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000009076367	569293597	/nfs/dbraw/zinc/29/35/97/569293597.db2.gz	SJZVHCSHLUOAHU-BDTNDASRSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000101136392	557261386	/nfs/dbraw/zinc/26/13/86/557261386.db2.gz	LYHURZVPPLFWJW-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000102709079	557365301	/nfs/dbraw/zinc/36/53/01/557365301.db2.gz	BTYKVKZKPFZZEW-HKBOAZHASA-N	-1	3	433.395	3.785	40	5		IHBBHM
CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)ccc21	ZINC000225731238	569407681	/nfs/dbraw/zinc/40/76/81/569407681.db2.gz	CHBQEYNYBKJJDQ-UHFFFAOYSA-N	-1	3	427.891	3.835	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000100985356	557209961	/nfs/dbraw/zinc/20/99/61/557209961.db2.gz	FNORUDMBNCDKKE-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c1	ZINC000101224659	557266105	/nfs/dbraw/zinc/26/61/05/557266105.db2.gz	OZVWQMZSXNUHBB-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102733856	557371250	/nfs/dbraw/zinc/37/12/50/557371250.db2.gz	MXBNLMMPMIDQOU-BHIFYINESA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000100379040	557401095	/nfs/dbraw/zinc/40/10/95/557401095.db2.gz	ZGJQSPINOPAOTC-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000018059288	569284558	/nfs/dbraw/zinc/28/45/58/569284558.db2.gz	NMDCUQHAPVTSMT-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000409412582	556640009	/nfs/dbraw/zinc/64/00/09/556640009.db2.gz	YAQXMHIZQZWAPP-UHFFFAOYSA-N	-1	3	433.877	3.963	40	5		IHBBHM
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1	ZINC000408583027	557420455	/nfs/dbraw/zinc/42/04/55/557420455.db2.gz	RAXLJRBIIVXCSN-UHFFFAOYSA-N	-1	3	449.876	3.685	40	5		IHBBHM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1[N+](=O)[O-]	ZINC000105394422	557497465	/nfs/dbraw/zinc/49/74/65/557497465.db2.gz	KBEILWIQSLPPTH-UHFFFAOYSA-N	-1	3	428.313	3.932	40	5		IHBBHM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000013758116	556728088	/nfs/dbraw/zinc/72/80/88/556728088.db2.gz	KQVZEZIPDVBIAL-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c1	ZINC000013810677	556743784	/nfs/dbraw/zinc/74/37/84/556743784.db2.gz	OZVWQMZSXNUHBB-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000096786952	556842861	/nfs/dbraw/zinc/84/28/61/556842861.db2.gz	SCCPQDAGFFQDBE-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1	ZINC000224540330	568937654	/nfs/dbraw/zinc/93/76/54/568937654.db2.gz	WHZVFDNJQLPMLO-UHFFFAOYSA-N	-1	3	429.429	3.716	40	5		IHBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000015439221	569225488	/nfs/dbraw/zinc/22/54/88/569225488.db2.gz	GJTQRLGGWUUBCK-UHFFFAOYSA-N	-1	3	441.465	3.965	40	5		IHBBHM
COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1	ZINC000013563613	556697433	/nfs/dbraw/zinc/69/74/33/556697433.db2.gz	FZKPBSNVJMQEFD-BHIFYINESA-N	-1	3	445.431	3.655	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000101105894	557255235	/nfs/dbraw/zinc/25/52/35/557255235.db2.gz	TVNKGLFFGUBVSO-ACRUOGEOSA-N	-1	3	433.395	3.785	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000101105891	557255315	/nfs/dbraw/zinc/25/53/15/557255315.db2.gz	TVNKGLFFGUBVSO-HBMCJLEFSA-N	-1	3	433.395	3.785	40	5		IHBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000015439024	569225523	/nfs/dbraw/zinc/22/55/23/569225523.db2.gz	DLYXMWSMBQMUGR-UHFFFAOYSA-N	-1	3	441.465	3.965	40	5		IHBBHM
Cc1c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000108052375	569252176	/nfs/dbraw/zinc/25/21/76/569252176.db2.gz	IFRCKBJSXDCVMY-JTQLQIEISA-N	-1	3	432.285	3.516	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)c1	ZINC000009216376	569294366	/nfs/dbraw/zinc/29/43/66/569294366.db2.gz	KVWRTGLPXOMTMP-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000013688252	556711434	/nfs/dbraw/zinc/71/14/34/556711434.db2.gz	FNORUDMBNCDKKE-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=[N+]([O-])c1ccc(Sc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c2nonc21	ZINC000408603383	557421107	/nfs/dbraw/zinc/42/11/07/557421107.db2.gz	GHABSVGHGYEFEW-UHFFFAOYSA-N	-1	3	435.219	3.535	40	5		IHBBHM
COc1c(F)c(F)c(C(=O)NC(=S)[N-]c2c(C)c(C)ccc2[N+](=O)[O-])c(F)c1F	ZINC000017097429	569172972	/nfs/dbraw/zinc/17/29/72/569172972.db2.gz	XTLFSQAPXGVIPH-UHFFFAOYSA-N	-1	3	431.367	3.903	40	5		IHBBHM
CCCC[N-]C(=S)C(=O)Nc1c(Br)cc(Br)cc1[N+](=O)[O-]	ZINC000020582986	520688928	/nfs/dbraw/zinc/68/89/28/520688928.db2.gz	URMMJHKGIUYYCC-UHFFFAOYSA-N	-1	3	439.129	3.775	40	5		IHBBHM
CCSc1nnc2c(n1)O[C@@H](c1ccc([O-])c(OC)c1[N+](=O)[O-])Nc1ccccc1-2	ZINC000015015752	557242855	/nfs/dbraw/zinc/24/28/55/557242855.db2.gz	JASNLTSQUAATGP-KRWDZBQOSA-N	-1	3	427.442	3.776	40	5		IHBBHM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102718614	557367920	/nfs/dbraw/zinc/36/79/20/557367920.db2.gz	MNUHBILPENDACX-FDFHNCONSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000102734230	557371174	/nfs/dbraw/zinc/37/11/74/557371174.db2.gz	GFEQTTSYRQKZLP-BHIFYINESA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737517	557371226	/nfs/dbraw/zinc/37/12/26/557371226.db2.gz	KQVZEZIPDVBIAL-BHIFYINESA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000109020713	569253431	/nfs/dbraw/zinc/25/34/31/569253431.db2.gz	LWQDMSIMTWIJKY-UHFFFAOYSA-N	-1	3	441.465	3.722	40	5		IHBBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018009837	569283766	/nfs/dbraw/zinc/28/37/66/569283766.db2.gz	MOSFIMPGJSYNDM-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000013661189	556708673	/nfs/dbraw/zinc/70/86/73/556708673.db2.gz	SJZVHCSHLUOAHU-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000100937085	557202329	/nfs/dbraw/zinc/20/23/29/557202329.db2.gz	KKWLEQOPCNKWOY-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1	ZINC000101099160	557243570	/nfs/dbraw/zinc/24/35/70/557243570.db2.gz	AYUSIIUDFYQHOF-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c1	ZINC000101224667	557266079	/nfs/dbraw/zinc/26/60/79/557266079.db2.gz	OZVWQMZSXNUHBB-BDTNDASRSA-N	-1	3	445.431	3.655	40	5		IHBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102730200	557368950	/nfs/dbraw/zinc/36/89/50/557368950.db2.gz	WHVDSSFOLVXIRF-HKBOAZHASA-N	-1	3	433.395	3.785	40	5		IHBBHM
COc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000014269433	557428707	/nfs/dbraw/zinc/42/87/07/557428707.db2.gz	GNSHPHUXUCYDMM-UHFFFAOYSA-N	-1	3	442.409	3.898	40	5		IHBBHM
Cc1c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cccc1[N+](=O)[O-]	ZINC000016250198	568874841	/nfs/dbraw/zinc/87/48/41/568874841.db2.gz	IMDMIRJQENLNSG-UHFFFAOYSA-N	-1	3	441.465	3.722	40	5		IHBBHM
COc1c(F)c(F)c(C(=O)NC(=S)[N-]c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1F	ZINC000017101702	569173648	/nfs/dbraw/zinc/17/36/48/569173648.db2.gz	UYZOSSFHADIJOM-UHFFFAOYSA-N	-1	3	437.758	3.940	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000011582394	569302610	/nfs/dbraw/zinc/30/26/10/569302610.db2.gz	XFLYLUWAQGFVEE-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000101114866	557255979	/nfs/dbraw/zinc/25/59/79/557255979.db2.gz	NMDCUQHAPVTSMT-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1	ZINC000015439189	569225483	/nfs/dbraw/zinc/22/54/83/569225483.db2.gz	WGWHUGUOQNGANI-UHFFFAOYSA-N	-1	3	441.465	3.965	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1	ZINC000009216025	569294427	/nfs/dbraw/zinc/29/44/27/569294427.db2.gz	AYUSIIUDFYQHOF-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000013749788	556725490	/nfs/dbraw/zinc/72/54/90/556725490.db2.gz	QCMIGTMWYPLPKM-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000101076565	557224955	/nfs/dbraw/zinc/22/49/55/557224955.db2.gz	GFEQTTSYRQKZLP-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000006142158	568845257	/nfs/dbraw/zinc/84/52/57/568845257.db2.gz	XFLYLUWAQGFVEE-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000013689538	556711470	/nfs/dbraw/zinc/71/14/70/556711470.db2.gz	IOSCYWBRIHXQPY-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN12	ZINC000588229105	557155357	/nfs/dbraw/zinc/15/53/57/557155357.db2.gz	FDGZPTMNJUPALL-QZTJIDSGSA-N	-1	3	427.486	3.615	40	5		IHBBHM
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1	ZINC000224060484	568902903	/nfs/dbraw/zinc/90/29/03/568902903.db2.gz	FIIJXEXUMBJVDE-UHFFFAOYSA-N	-1	3	441.465	3.965	40	5		IHBBHM
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018087955	569284783	/nfs/dbraw/zinc/28/47/83/569284783.db2.gz	NCUNSLYYVYSWPP-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000101136386	557261413	/nfs/dbraw/zinc/26/14/13/557261413.db2.gz	LYHURZVPPLFWJW-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000018069362	569284697	/nfs/dbraw/zinc/28/46/97/569284697.db2.gz	AYUSIIUDFYQHOF-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102730193	557368971	/nfs/dbraw/zinc/36/89/71/557368971.db2.gz	WHVDSSFOLVXIRF-ACRUOGEOSA-N	-1	3	433.395	3.785	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1	ZINC000169684204	568997824	/nfs/dbraw/zinc/99/78/24/568997824.db2.gz	QMIFMAOWVCPMSZ-ACRUOGEOSA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000009307058	569295219	/nfs/dbraw/zinc/29/52/19/569295219.db2.gz	QYGAIPNYDYKXHJ-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000100997167	557210878	/nfs/dbraw/zinc/21/08/78/557210878.db2.gz	IOSCYWBRIHXQPY-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000102761013	557385290	/nfs/dbraw/zinc/38/52/90/557385290.db2.gz	LEDCWLZFYZHCKR-HKBOAZHASA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000107806653	569251355	/nfs/dbraw/zinc/25/13/55/569251355.db2.gz	HVXCFXCOAHRDLJ-SNVBAGLBSA-N	-1	3	432.285	3.516	40	5		IHBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000016347439	556601860	/nfs/dbraw/zinc/60/18/60/556601860.db2.gz	YYVQPVDUFYTRRY-UHFFFAOYSA-N	-1	3	441.465	3.722	40	5		IHBBHM
CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@@H]2C(=O)[N-]C(SC)=NN21	ZINC000588229104	557155335	/nfs/dbraw/zinc/15/53/35/557155335.db2.gz	FDGZPTMNJUPALL-MSOLQXFVSA-N	-1	3	427.486	3.615	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000101038503	557214817	/nfs/dbraw/zinc/21/48/17/557214817.db2.gz	GHOVMVSZIPSWNX-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009318381	569295407	/nfs/dbraw/zinc/29/54/07/569295407.db2.gz	IOSCYWBRIHXQPY-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100587093	556626807	/nfs/dbraw/zinc/62/68/07/556626807.db2.gz	XFLYLUWAQGFVEE-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)c1	ZINC000101100307	557255187	/nfs/dbraw/zinc/25/51/87/557255187.db2.gz	KVWRTGLPXOMTMP-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)ccc1[N+](=O)[O-]	ZINC000408550577	557415843	/nfs/dbraw/zinc/41/58/43/557415843.db2.gz	DMMWZRWFVJZECQ-UHFFFAOYSA-N	-1	3	449.876	3.685	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)c1	ZINC000018189250	569286808	/nfs/dbraw/zinc/28/68/08/569286808.db2.gz	KVWRTGLPXOMTMP-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000009012450	569293018	/nfs/dbraw/zinc/29/30/18/569293018.db2.gz	FNORUDMBNCDKKE-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c1	ZINC000009290746	569295078	/nfs/dbraw/zinc/29/50/78/569295078.db2.gz	OZVWQMZSXNUHBB-VSKRKVRLSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000013658399	556708252	/nfs/dbraw/zinc/70/82/52/556708252.db2.gz	KKWLEQOPCNKWOY-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100123852	557318587	/nfs/dbraw/zinc/31/85/87/557318587.db2.gz	NCUNSLYYVYSWPP-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000100379047	557401053	/nfs/dbraw/zinc/40/10/53/557401053.db2.gz	ZGJQSPINOPAOTC-BDTNDASRSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000059132940	569459383	/nfs/dbraw/zinc/45/93/83/569459383.db2.gz	VGRFGVQIDCFUBQ-UHFFFAOYSA-N	-1	3	425.466	3.885	40	5		IHBBHM
CCSc1nnc2c(n1)O[C@H](c1ccc([O-])c(OC)c1[N+](=O)[O-])Nc1ccccc1-2	ZINC000015015753	557242506	/nfs/dbraw/zinc/24/25/06/557242506.db2.gz	JASNLTSQUAATGP-QGZVFWFLSA-N	-1	3	427.442	3.776	40	5		IHBBHM
COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1	ZINC000036108845	568952487	/nfs/dbraw/zinc/95/24/87/568952487.db2.gz	FZKPBSNVJMQEFD-YPAWHYETSA-N	-1	3	445.431	3.655	40	5		IHBBHM
O=[N+]([O-])c1ccc(N[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000012042495	569303719	/nfs/dbraw/zinc/30/37/19/569303719.db2.gz	UTFSJLFQYLOJFS-UHFFFAOYSA-N	-1	3	441.636	3.769	40	5		IHBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000017950182	569282522	/nfs/dbraw/zinc/28/25/22/569282522.db2.gz	SCCPQDAGFFQDBE-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000004010307	569457978	/nfs/dbraw/zinc/45/79/78/569457978.db2.gz	ZGJQSPINOPAOTC-VSKRKVRLSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100587087	556626819	/nfs/dbraw/zinc/62/68/19/556626819.db2.gz	XFLYLUWAQGFVEE-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000409177003	556632773	/nfs/dbraw/zinc/63/27/73/556632773.db2.gz	AJXZZTNEFNJVMS-UHFFFAOYSA-N	-1	3	441.465	3.585	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000101080294	557228161	/nfs/dbraw/zinc/22/81/61/557228161.db2.gz	QCMIGTMWYPLPKM-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101155889	557262445	/nfs/dbraw/zinc/26/24/45/557262445.db2.gz	MOSFIMPGJSYNDM-FSSWDIPSSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000408675579	556615497	/nfs/dbraw/zinc/61/54/97/556615497.db2.gz	JEHAHJQAEXHLEI-UHFFFAOYSA-N	-1	3	441.465	3.722	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000013511366	556667665	/nfs/dbraw/zinc/66/76/65/556667665.db2.gz	GHOVMVSZIPSWNX-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
CCCOc1ccc([N+](=O)[O-])cc1[C@H]1Nc2ccccc2[C@H]2C(=O)[N-]C(SC)=NN12	ZINC000588229106	557155306	/nfs/dbraw/zinc/15/53/06/557155306.db2.gz	FDGZPTMNJUPALL-ROUUACIJSA-N	-1	3	427.486	3.615	40	5		IHBBHM
COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100963487	557208127	/nfs/dbraw/zinc/20/81/27/557208127.db2.gz	SJZVHCSHLUOAHU-VSKRKVRLSA-N	-1	3	445.431	3.655	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000101080299	557227966	/nfs/dbraw/zinc/22/79/66/557227966.db2.gz	QCMIGTMWYPLPKM-VSKRKVRLSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101192047	557263084	/nfs/dbraw/zinc/26/30/84/557263084.db2.gz	QYGAIPNYDYKXHJ-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102718619	557368083	/nfs/dbraw/zinc/36/80/83/557368083.db2.gz	MNUHBILPENDACX-BHIFYINESA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000102761009	557385259	/nfs/dbraw/zinc/38/52/59/557385259.db2.gz	LEDCWLZFYZHCKR-ACRUOGEOSA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-]	ZINC000021112995	569241483	/nfs/dbraw/zinc/24/14/83/569241483.db2.gz	UUMXDMKSUPWUSB-UHFFFAOYSA-N	-1	3	433.877	3.985	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000009158192	569293972	/nfs/dbraw/zinc/29/39/72/569293972.db2.gz	LYHURZVPPLFWJW-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009454788	569296483	/nfs/dbraw/zinc/29/64/83/569296483.db2.gz	GHOVMVSZIPSWNX-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018209895	569316121	/nfs/dbraw/zinc/31/61/21/569316121.db2.gz	MNUHBILPENDACX-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1	ZINC000013758942	556728124	/nfs/dbraw/zinc/72/81/24/556728124.db2.gz	AYUSIIUDFYQHOF-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000017096444	569172736	/nfs/dbraw/zinc/17/27/36/569172736.db2.gz	QMAMFRMMJOWGSX-UHFFFAOYSA-N	-1	3	429.458	3.620	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000013803563	556743094	/nfs/dbraw/zinc/74/30/94/556743094.db2.gz	QYGAIPNYDYKXHJ-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100963482	557208168	/nfs/dbraw/zinc/20/81/68/557208168.db2.gz	SJZVHCSHLUOAHU-FKBYEOEOSA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000015271352	568752767	/nfs/dbraw/zinc/75/27/67/568752767.db2.gz	HEYQLCXXJVKBBN-UHFFFAOYSA-N	-1	3	445.428	3.796	40	5		IHBBHM
O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000009064794	569293375	/nfs/dbraw/zinc/29/33/75/569293375.db2.gz	DPMBGDMBESCCHU-UHFFFAOYSA-N	-1	3	449.876	3.883	40	5		IHBBHM
Cc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccccc3[N+](=O)[O-])n2)cc1	ZINC000032122968	569584080	/nfs/dbraw/zinc/58/40/80/569584080.db2.gz	OOMZZXQARVADOL-UHFFFAOYSA-N	-1	3	428.495	3.919	40	5		IHBBHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1	ZINC000409389012	556639078	/nfs/dbraw/zinc/63/90/78/556639078.db2.gz	FZPGYMWXZDURQE-UHFFFAOYSA-N	-1	3	445.428	3.552	40	5		IHBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000013768308	556730191	/nfs/dbraw/zinc/73/01/91/556730191.db2.gz	TVNKGLFFGUBVSO-HKBOAZHASA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000101038502	557214744	/nfs/dbraw/zinc/21/47/44/557214744.db2.gz	GHOVMVSZIPSWNX-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000107806658	569251360	/nfs/dbraw/zinc/25/13/60/569251360.db2.gz	HVXCFXCOAHRDLJ-JTQLQIEISA-N	-1	3	432.285	3.516	40	5		IHBBHM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000409183669	556990257	/nfs/dbraw/zinc/99/02/57/556990257.db2.gz	RWANZSJQQDVTOU-UHFFFAOYSA-N	-1	3	429.429	3.716	40	5		IHBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000101192050	557262922	/nfs/dbraw/zinc/26/29/22/557262922.db2.gz	QYGAIPNYDYKXHJ-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000009280914	569294977	/nfs/dbraw/zinc/29/49/77/569294977.db2.gz	TVNKGLFFGUBVSO-NJYVYQBISA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c1	ZINC000009312422	569295347	/nfs/dbraw/zinc/29/53/47/569295347.db2.gz	QCMIGTMWYPLPKM-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1	ZINC000018246759	569316256	/nfs/dbraw/zinc/31/62/56/569316256.db2.gz	KKWLEQOPCNKWOY-BHIFYINESA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1[O-]	ZINC000409361513	556638573	/nfs/dbraw/zinc/63/85/73/556638573.db2.gz	SHWGIUUFBPNYKZ-PXNMLYILSA-N	-1	3	448.840	3.882	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)c1	ZINC000101100305	557255209	/nfs/dbraw/zinc/25/52/09/557255209.db2.gz	KVWRTGLPXOMTMP-FKBYEOEOSA-N	-1	3	429.432	3.954	40	5		IHBBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1	ZINC000102724268	557368838	/nfs/dbraw/zinc/36/88/38/557368838.db2.gz	SCCPQDAGFFQDBE-BHIFYINESA-N	-1	3	445.431	3.655	40	5		IHBBHM
COc1ccc([N-]C(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1	ZINC000034738528	569247528	/nfs/dbraw/zinc/24/75/28/569247528.db2.gz	TYTDXZZDSHWLNW-UHFFFAOYSA-N	-1	3	442.409	3.898	40	5		IHBBHM
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1	ZINC000059489712	569249689	/nfs/dbraw/zinc/24/96/89/569249689.db2.gz	POQNWCJPRQMNHL-UHFFFAOYSA-N	-1	3	425.513	3.877	40	5		IHBBHM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018059658	569284543	/nfs/dbraw/zinc/28/45/43/569284543.db2.gz	MXBNLMMPMIDQOU-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000100985369	557209904	/nfs/dbraw/zinc/20/99/04/557209904.db2.gz	FNORUDMBNCDKKE-BDTNDASRSA-N	-1	3	429.432	3.954	40	5		IHBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000100997162	557210821	/nfs/dbraw/zinc/21/08/21/557210821.db2.gz	IOSCYWBRIHXQPY-FSSWDIPSSA-N	-1	3	429.432	3.954	40	5		IHBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000102709071	557365331	/nfs/dbraw/zinc/36/53/31/557365331.db2.gz	BTYKVKZKPFZZEW-ACRUOGEOSA-N	-1	3	433.395	3.785	40	5		IHBBHM
Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C	ZINC000009064795	569293421	/nfs/dbraw/zinc/29/34/21/569293421.db2.gz	IQEDQBRHGJUDOF-UHFFFAOYSA-N	-1	3	443.485	3.847	40	5		IHBBHM
Cc1ccc([N-]C(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000009064659	569293432	/nfs/dbraw/zinc/29/34/32/569293432.db2.gz	FJVOQNRFUNZMFU-UHFFFAOYSA-N	-1	3	443.485	3.929	40	5		IHBBHM
Cc1ccc([N-]C(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000017096437	569172506	/nfs/dbraw/zinc/17/25/06/569172506.db2.gz	ORQULPHWYNHLAR-UHFFFAOYSA-N	-1	3	429.458	3.538	40	5		IHBBHM
Cc1c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000108052373	569252236	/nfs/dbraw/zinc/25/22/36/569252236.db2.gz	IFRCKBJSXDCVMY-SNVBAGLBSA-N	-1	3	432.285	3.516	40	5		IHBBHM