smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	ZINC000409167041	556982476	/nfs/dbraw/zinc/98/24/76/556982476.db2.gz	IALVMKXVBZOVHW-UHFFFAOYSA-N	-1	1	425.466	3.885	40	5		IHBBMM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1C(=O)c1ccccc1	ZINC000028207030	557647337	/nfs/dbraw/zinc/64/73/37/557647337.db2.gz	ILJFXBDYJROSCA-OAHLLOKOSA-N	-1	1	437.477	3.987	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000223984087	568880304	/nfs/dbraw/zinc/88/03/04/568880304.db2.gz	LKBVCFOEDZAQNG-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000000823223	557266360	/nfs/dbraw/zinc/26/63/60/557266360.db2.gz	OOGLDNSTGLWODG-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000224532096	568937540	/nfs/dbraw/zinc/93/75/40/568937540.db2.gz	IUWDDABALNTPJF-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	ZINC000224538629	568937652	/nfs/dbraw/zinc/93/76/52/568937652.db2.gz	OOFAVCFPVJFHDQ-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCC(C)CC1	ZINC000026118840	569242511	/nfs/dbraw/zinc/24/25/11/569242511.db2.gz	XCSCVQLULQHHBP-UHFFFAOYSA-N	-1	1	449.554	3.990	40	5		IHBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1	ZINC000009234981	569294724	/nfs/dbraw/zinc/29/47/24/569294724.db2.gz	CCTIYJANASKVHL-WEVVVXLNSA-N	-1	1	429.816	3.795	40	5		IHBBMM
O=c1sc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1	ZINC000225742377	569407934	/nfs/dbraw/zinc/40/79/34/569407934.db2.gz	BBGNJMNQSPGLPB-UHFFFAOYSA-N	-1	1	441.490	3.820	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000224041650	568887538	/nfs/dbraw/zinc/88/75/38/568887538.db2.gz	MRAFAASHLDLXSB-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000224527114	568937100	/nfs/dbraw/zinc/93/71/00/568937100.db2.gz	NHLQIQJOENFQAV-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3o2)C(=O)[O-])CC1	ZINC000408633891	557422970	/nfs/dbraw/zinc/42/29/70/557422970.db2.gz	MVIAMCLSEFTRFA-CPNJWEJPSA-N	-1	1	440.481	3.706	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000015271393	568752753	/nfs/dbraw/zinc/75/27/53/568752753.db2.gz	SVACBUKTTAYKBT-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409191973	556633947	/nfs/dbraw/zinc/63/39/47/556633947.db2.gz	RLCNWHSBTWMPGI-NVMNQCDNSA-N	-1	1	442.453	3.827	40	5		IHBBMM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409191973	556633951	/nfs/dbraw/zinc/63/39/51/556633951.db2.gz	RLCNWHSBTWMPGI-NVMNQCDNSA-N	-1	1	442.453	3.827	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1C	ZINC000408554669	557416710	/nfs/dbraw/zinc/41/67/10/557416710.db2.gz	DFBAYBXMGKZCMM-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(C)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408632264	557422648	/nfs/dbraw/zinc/42/26/48/557422648.db2.gz	IFUYPBLVANJLGB-REZTVBANSA-N	-1	1	442.453	3.923	40	5		IHBBMM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1C(=O)c1ccccc1	ZINC000028207032	557647247	/nfs/dbraw/zinc/64/72/47/557647247.db2.gz	ILJFXBDYJROSCA-HNNXBMFYSA-N	-1	1	437.477	3.987	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010314911	569299613	/nfs/dbraw/zinc/29/96/13/569299613.db2.gz	SCECVCSFUJWREQ-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000223938401	568879820	/nfs/dbraw/zinc/87/98/20/568879820.db2.gz	GMAMDUAJHHOPFM-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
CSc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCC1	ZINC000026115198	569242353	/nfs/dbraw/zinc/24/23/53/569242353.db2.gz	LDTVRTKWGGJXHF-UHFFFAOYSA-N	-1	1	435.527	3.662	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000020571843	525081303	/nfs/dbraw/zinc/08/13/03/525081303.db2.gz	OCWYIIUNOJMFHK-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
O=C(Oc1ccc(-c2nc3ccccc3c(=O)[n-]2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000409272393	557043098	/nfs/dbraw/zinc/04/30/98/557043098.db2.gz	PXSQKYLOHKOFKV-UHFFFAOYSA-N	-1	1	432.348	3.626	40	5		IHBBMM
O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c2nonc21	ZINC000408603383	557421104	/nfs/dbraw/zinc/42/11/04/557421104.db2.gz	GHABSVGHGYEFEW-UHFFFAOYSA-N	-1	1	435.219	3.535	40	5		IHBBMM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000103933330	557442775	/nfs/dbraw/zinc/44/27/75/557442775.db2.gz	AIIMVGFDGJAWJX-UHFFFAOYSA-N	-1	1	428.313	3.932	40	5		IHBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1	ZINC000223265450	568790494	/nfs/dbraw/zinc/79/04/94/568790494.db2.gz	FMKDTPWKFBWVBB-UHFFFAOYSA-N	-1	1	437.477	3.907	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000010313880	569222413	/nfs/dbraw/zinc/22/24/13/569222413.db2.gz	PMWLHTROSHYZKE-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
O=c1[nH]c(C=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409340593	556636946	/nfs/dbraw/zinc/63/69/46/556636946.db2.gz	ZVTBPRDQTMUQCP-BAQGIRSFSA-N	-1	1	441.312	3.575	40	5		IHBBMM
O=c1[nH]c(C=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409340055	557067966	/nfs/dbraw/zinc/06/79/66/557067966.db2.gz	PRLXIPGREWSDDQ-DAXSKMNVSA-N	-1	1	441.312	3.575	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1	ZINC000223984221	568880319	/nfs/dbraw/zinc/88/03/19/568880319.db2.gz	KSAZOENXWZKAGG-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OCc1c(F)cccc1Cl	ZINC000013482063	557231676	/nfs/dbraw/zinc/23/16/76/557231676.db2.gz	UCCWGEBVHZOMIN-VURMDHGXSA-N	-1	1	447.806	3.934	40	5		IHBBMM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	ZINC000408595822	557420806	/nfs/dbraw/zinc/42/08/06/557420806.db2.gz	UZYQOVHVTAPWFH-HNNXBMFYSA-N	-1	1	447.513	3.612	40	5		IHBBMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cccc1[N+](=O)[O-]	ZINC000223265526	568790525	/nfs/dbraw/zinc/79/05/25/568790525.db2.gz	JPLDGYVZLNZWRB-UHFFFAOYSA-N	-1	1	437.477	3.907	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cc1	ZINC000224041823	568887611	/nfs/dbraw/zinc/88/76/11/568887611.db2.gz	CXUBKSIRAIKQTQ-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000009062381	569219495	/nfs/dbraw/zinc/21/94/95/569219495.db2.gz	NCHDFAFQAOVXJJ-UHFFFAOYSA-N	-1	1	445.391	3.855	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1	ZINC000408551363	555858956	/nfs/dbraw/zinc/85/89/56/555858956.db2.gz	KKSBTSOJTOKFEB-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
Cn1c(Sc2ccc([N+](=O)[O-])c3nonc32)nnc1-c1cc(Br)ccc1[O-]	ZINC000408607450	557421397	/nfs/dbraw/zinc/42/13/97/557421397.db2.gz	SCSRVVVIYHKMRB-UHFFFAOYSA-N	-1	1	449.246	3.546	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000015271452	568752779	/nfs/dbraw/zinc/75/27/79/568752779.db2.gz	LHYDSBAPGPCKIS-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
CCc1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2)cc1	ZINC000408602766	557421076	/nfs/dbraw/zinc/42/10/76/557421076.db2.gz	DPZZXPQTEZAZJX-KPKJPENVSA-N	-1	1	436.424	3.546	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C)cc1	ZINC000224013337	568880674	/nfs/dbraw/zinc/88/06/74/568880674.db2.gz	WTCBGKWCNIPFDN-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1	ZINC000223255109	568787678	/nfs/dbraw/zinc/78/76/78/568787678.db2.gz	ZCKGRFGUZSSNEN-HNNXBMFYSA-N	-1	1	447.513	3.612	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000010314301	569299627	/nfs/dbraw/zinc/29/96/27/569299627.db2.gz	LWBAGJZMAFZITJ-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408633103	557423089	/nfs/dbraw/zinc/42/30/89/557423089.db2.gz	LNPVSFGXXPAJAZ-APSNUPSMSA-N	-1	1	428.426	3.615	40	5		IHBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)[O-])n2)c1	ZINC000408635092	557423258	/nfs/dbraw/zinc/42/32/58/557423258.db2.gz	YRPNRUWIJZSBOC-APSNUPSMSA-N	-1	1	428.426	3.615	40	5		IHBBMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1Cl	ZINC000009234878	569294619	/nfs/dbraw/zinc/29/46/19/569294619.db2.gz	HKPFOOOCYPSNBT-VQHVLOKHSA-N	-1	1	429.816	3.795	40	5		IHBBMM
Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000033382468	557293847	/nfs/dbraw/zinc/29/38/47/557293847.db2.gz	PPDICYAQQLCBTB-UHFFFAOYSA-N	-1	1	432.239	3.617	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000020571017	525085296	/nfs/dbraw/zinc/08/52/96/525085296.db2.gz	HRGKWIHGJWQDGE-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000020571201	569374588	/nfs/dbraw/zinc/37/45/88/569374588.db2.gz	XPEKTAOSWTVBHM-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(C)cc1	ZINC000408555147	557416460	/nfs/dbraw/zinc/41/64/60/557416460.db2.gz	DWJRQZXWHPKOFQ-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1	ZINC000223255055	568787734	/nfs/dbraw/zinc/78/77/34/568787734.db2.gz	ZCKGRFGUZSSNEN-OAHLLOKOSA-N	-1	1	447.513	3.612	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	ZINC000224540405	568937644	/nfs/dbraw/zinc/93/76/44/568937644.db2.gz	FCQUQEGVTBXSLG-UHFFFAOYSA-N	-1	1	441.465	3.585	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C	ZINC000010313958	569222381	/nfs/dbraw/zinc/22/23/81/569222381.db2.gz	UVJHGRJKVICWGT-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
O=C([N-]c1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000009275194	569294983	/nfs/dbraw/zinc/29/49/83/569294983.db2.gz	KQWBLJOKNJDAGC-UHFFFAOYSA-N	-1	1	434.162	3.568	40	5		IHBBMM
COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409189504	556632406	/nfs/dbraw/zinc/63/24/06/556632406.db2.gz	PUTJLNPONJPKFX-ZDLGFXPLSA-N	-1	1	442.453	3.827	40	5		IHBBMM
COc1cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409189504	556632409	/nfs/dbraw/zinc/63/24/09/556632409.db2.gz	PUTJLNPONJPKFX-ZDLGFXPLSA-N	-1	1	442.453	3.827	40	5		IHBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F	ZINC000009010347	555506469	/nfs/dbraw/zinc/50/64/69/555506469.db2.gz	XJASSMYUYBQZJG-NTMALXAHSA-N	-1	1	427.388	3.671	40	5		IHBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(I)cc1C	ZINC000014401779	557337272	/nfs/dbraw/zinc/33/72/72/557337272.db2.gz	SSFQDUXCGWNWMA-UHFFFAOYSA-N	-1	1	432.239	3.617	40	5		IHBBMM
O=C([O-])C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408634055	557423078	/nfs/dbraw/zinc/42/30/78/557423078.db2.gz	OGYKXTBWIXDTQA-UUASQNMZSA-N	-1	1	446.828	3.980	40	5		IHBBMM
COc1cccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102754741	557379477	/nfs/dbraw/zinc/37/94/77/557379477.db2.gz	MOSFIMPGJSYNDM-BHIFYINESA-N	-1	1	445.431	3.655	40	5		IHBBMM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])ccc3O)C(=O)[O-])o2)c1	ZINC000408632505	557422773	/nfs/dbraw/zinc/42/27/73/557422773.db2.gz	JHBPZABBLHKNSM-PXNMLYILSA-N	-1	1	445.409	3.585	40	5		IHBBMM
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)ccc32)cc1	ZINC000223376918	568820278	/nfs/dbraw/zinc/82/02/78/568820278.db2.gz	PKFXHNZXFUWDEQ-UHFFFAOYSA-N	-1	1	437.477	3.907	40	5		IHBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1Oc1nc(Cl)ncc1F	ZINC000409338490	556637530	/nfs/dbraw/zinc/63/75/30/556637530.db2.gz	KWGKZJKYNGEGNV-XQRVVYSFSA-N	-1	1	449.782	3.740	40	5		IHBBMM
CCn1c2cc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408526296	557412951	/nfs/dbraw/zinc/41/29/51/557412951.db2.gz	ARZBJGHJIYMNMI-UHFFFAOYSA-N	-1	1	433.808	3.565	40	5		IHBBMM
O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020765766	569374973	/nfs/dbraw/zinc/37/49/73/569374973.db2.gz	APEIIHPJALHMMH-UHFFFAOYSA-N	-1	1	437.477	3.989	40	5		IHBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000013981735	557189255	/nfs/dbraw/zinc/18/92/55/557189255.db2.gz	BFXOFCINYFOOMY-UHFFFAOYSA-N	-1	1	442.409	3.556	40	5		IHBBMM
O=c1[nH]c(C=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc([O-])c1[N+](=O)[O-]	ZINC000409351177	557078708	/nfs/dbraw/zinc/07/87/08/557078708.db2.gz	ZXVCOTDEPUNOLL-YVMONPNESA-N	-1	1	441.312	3.575	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1	ZINC000408550298	557415907	/nfs/dbraw/zinc/41/59/07/557415907.db2.gz	CLLGVXMLMJPKES-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)[O-])n[nH]1	ZINC000408631521	557422699	/nfs/dbraw/zinc/42/26/99/557422699.db2.gz	JYPXSNLEFVVDBN-CHHVJCJISA-N	-1	1	448.844	3.965	40	5		IHBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c(Cc2ccc(F)cc2)c(=O)[n-]1	ZINC000001443202	568807322	/nfs/dbraw/zinc/80/73/22/568807322.db2.gz	LWDNHQZDOAPJNF-UHFFFAOYSA-N	-1	1	442.472	3.756	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223920536	568879511	/nfs/dbraw/zinc/87/95/11/568879511.db2.gz	DEMRCNMELOHVCH-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1	ZINC000408550259	557416117	/nfs/dbraw/zinc/41/61/17/557416117.db2.gz	CBPBVXFNRWRLJN-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	ZINC000408595824	555962794	/nfs/dbraw/zinc/96/27/94/555962794.db2.gz	UZYQOVHVTAPWFH-OAHLLOKOSA-N	-1	1	447.513	3.612	40	5		IHBBMM
Cc1ccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2)cc1C	ZINC000409343807	557071149	/nfs/dbraw/zinc/07/11/49/557071149.db2.gz	IJHMEYOCLSQCLF-UXBLZVDNSA-N	-1	1	436.424	3.601	40	5		IHBBMM
COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c1OCc1ccc(Cl)cc1	ZINC000013482076	557231671	/nfs/dbraw/zinc/23/16/71/557231671.db2.gz	GAWOOLVLADRLLB-YFHOEESVSA-N	-1	1	429.816	3.795	40	5		IHBBMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1	ZINC000223265678	568790601	/nfs/dbraw/zinc/79/06/01/568790601.db2.gz	CDEWIYMQCJYYSG-UHFFFAOYSA-N	-1	1	437.477	3.907	40	5		IHBBMM
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccccc2[O-])c1	ZINC000009062400	569219656	/nfs/dbraw/zinc/21/96/56/569219656.db2.gz	YSMRYMVRGBFESC-UHFFFAOYSA-N	-1	1	445.391	3.855	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000010334563	569299777	/nfs/dbraw/zinc/29/97/77/569299777.db2.gz	QVKOJIBJHSAEAI-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)c1ccccc1[O-]	ZINC000039768551	556437357	/nfs/dbraw/zinc/43/73/57/556437357.db2.gz	NIMBVCGKNQANSA-UHFFFAOYSA-N	-1	1	445.391	3.855	40	5		IHBBMM
O=c1[nH]c(C=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000409330062	556637338	/nfs/dbraw/zinc/63/73/38/556637338.db2.gz	JHRBLFMUFLCOTB-JXMROGBWSA-N	-1	1	433.380	3.878	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000224527613	568937145	/nfs/dbraw/zinc/93/71/45/568937145.db2.gz	FHYYQLLIUATKQA-UHFFFAOYSA-N	-1	1	427.438	3.657	40	5		IHBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCC1	ZINC000026115212	569242331	/nfs/dbraw/zinc/24/23/31/569242331.db2.gz	IETWTCGSFPWDDS-UHFFFAOYSA-N	-1	1	435.527	3.662	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCC(C)CC1	ZINC000408703119	556617959	/nfs/dbraw/zinc/61/79/59/556617959.db2.gz	NIEXSOLWMJFXIG-UHFFFAOYSA-N	-1	1	447.513	3.585	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCC(C)CC1	ZINC000014398593	557436291	/nfs/dbraw/zinc/43/62/91/557436291.db2.gz	WXJWRGPEZCGFGM-UHFFFAOYSA-N	-1	1	447.513	3.585	40	5		IHBBMM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000015271491	568752857	/nfs/dbraw/zinc/75/28/57/568752857.db2.gz	BRHBULZZOGANKA-UHFFFAOYSA-N	-1	1	445.428	3.796	40	5		IHBBMM
COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1F	ZINC000107932964	569251780	/nfs/dbraw/zinc/25/17/80/569251780.db2.gz	HUDFUCIQLMODBI-UHFFFAOYSA-N	-1	1	445.428	3.796	40	5		IHBBMM
COc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000224528398	568937068	/nfs/dbraw/zinc/93/70/68/568937068.db2.gz	CLBSZWAQMHLFNU-UHFFFAOYSA-N	-1	1	441.465	3.965	40	5		IHBBMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1	ZINC000026116292	557440345	/nfs/dbraw/zinc/44/03/45/557440345.db2.gz	BKKJSVAXVLKSFX-UHFFFAOYSA-N	-1	1	435.527	3.744	40	5		IHBBMM