smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)no1	ZINC000002748686	562930130	/nfs/dbraw/zinc/93/01/30/562930130.db2.gz	ZINYYZAURMLSLK-UHFFFAOYSA-N	0	2	436.833	3.598	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002991833	569583888	/nfs/dbraw/zinc/58/38/88/569583888.db2.gz	SDLXZYCSDHMPCI-UHFFFAOYSA-N	0	2	438.874	3.758	50	5		IHBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)c1	ZINC000006142078	568845433	/nfs/dbraw/zinc/84/54/33/568845433.db2.gz	GSSZQZIBCNCGGO-UHFFFAOYSA-N	0	2	437.437	3.788	50	5		IHBALN
Cc1nn(Cc2c(C)onc2C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C)c1[N+](=O)[O-]	ZINC000019642776	569324927	/nfs/dbraw/zinc/32/49/27/569324927.db2.gz	XOAWXSFPVYSMPP-UHFFFAOYSA-N	0	2	445.304	3.701	50	5		IHBALN
Cc1nn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731060	569418881	/nfs/dbraw/zinc/41/88/81/569418881.db2.gz	OMGGAYSQWWWZPV-UHFFFAOYSA-N	0	2	430.881	3.641	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002989532	569583845	/nfs/dbraw/zinc/58/38/45/569583845.db2.gz	PCHXQKCLIAOYBB-UHFFFAOYSA-N	0	2	438.874	3.758	50	5		IHBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)cc1Br	ZINC000095397962	569584246	/nfs/dbraw/zinc/58/42/46/569584246.db2.gz	XUJXLIPRTZLOSF-UHFFFAOYSA-N	0	2	441.307	3.543	50	5		IHBALN
CCOc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)nn1	ZINC000009715026	562975878	/nfs/dbraw/zinc/97/58/78/562975878.db2.gz	QACIZYCJTHTBHZ-UHFFFAOYSA-N	0	2	434.861	3.905	50	5		IHBALN
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000016115591	556583876	/nfs/dbraw/zinc/58/38/76/556583876.db2.gz	QTEHMVBIRJPDHU-UHFFFAOYSA-N	0	2	441.465	3.965	50	5		IHBALN
CCOC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1	ZINC000020029627	569332477	/nfs/dbraw/zinc/33/24/77/569332477.db2.gz	CKGHQDIONKMHTB-INIZCTEOSA-N	0	2	447.241	3.820	50	5		IHBALN
Cc1nn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002731606	569419068	/nfs/dbraw/zinc/41/90/68/569419068.db2.gz	XDUBXVWYKMFHFX-UHFFFAOYSA-N	0	2	448.871	3.780	50	5		IHBALN
Cc1cc([N+](=O)[O-])nn1CCc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002730687	569419279	/nfs/dbraw/zinc/41/92/79/569419279.db2.gz	NBTMDZKVCFJSQM-UHFFFAOYSA-N	0	2	444.908	3.836	50	5		IHBALN
Cc1nn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-]	ZINC000002731140	569419428	/nfs/dbraw/zinc/41/94/28/569419428.db2.gz	SWCKWZLEJSVDNM-UHFFFAOYSA-N	0	2	444.908	3.950	50	5		IHBALN
O=[N+]([O-])c1ccn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)n1	ZINC000002809521	569422942	/nfs/dbraw/zinc/42/29/42/569422942.db2.gz	HRYAUQFNAFTILT-UHFFFAOYSA-N	0	2	448.871	3.666	50	5		IHBALN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)[nH]1	ZINC000009235265	569514087	/nfs/dbraw/zinc/51/40/87/569514087.db2.gz	KBIXDCSGKIOZKA-CMDGGOBGSA-N	0	2	440.818	3.937	50	5		IHBALN
Cc1nnc(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[nH]c1=O	ZINC000018192102	557247029	/nfs/dbraw/zinc/24/70/29/557247029.db2.gz	CJRABECWDFUGGD-HNNXBMFYSA-N	0	2	431.861	3.919	50	5		IHBALN
O=[N+]([O-])c1ccn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1	ZINC000002732493	569419112	/nfs/dbraw/zinc/41/91/12/569419112.db2.gz	IVVDINNXZYKKFO-UHFFFAOYSA-N	0	2	430.881	3.527	50	5		IHBALN
CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1	ZINC000012584435	525280536	/nfs/dbraw/zinc/28/05/36/525280536.db2.gz	GZGBFNQQIDGKIQ-UHFFFAOYSA-N	0	2	447.494	3.543	50	5		IHBALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)no1	ZINC000002773691	562930203	/nfs/dbraw/zinc/93/02/03/562930203.db2.gz	BHZSLDCHLHJOAH-UHFFFAOYSA-N	0	2	436.833	3.598	50	5		IHBALN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000016382746	568886131	/nfs/dbraw/zinc/88/61/31/568886131.db2.gz	PLEBKAZWOQKIPS-MRXNPFEDSA-N	0	2	436.346	3.586	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000002779988	569583872	/nfs/dbraw/zinc/58/38/72/569583872.db2.gz	NNTZYWPRJBXRQQ-UHFFFAOYSA-N	0	2	438.874	3.758	50	5		IHBALN
Cn1ccnc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1	ZINC000089761497	527423994	/nfs/dbraw/zinc/42/39/94/527423994.db2.gz	NMYRIBPGRHXKDT-UHFFFAOYSA-N	0	2	437.275	3.559	50	5		IHBALN
COc1cc(C=Cc2nc3[nH]cnn3c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000034895112	555927894	/nfs/dbraw/zinc/92/78/94/555927894.db2.gz	PQFYVALYWUCIIV-YWEYNIOJSA-N	0	2	437.387	3.635	50	5		IHBALN
Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1Cc1ccc2c(c1)OCO2	ZINC000024773825	557136845	/nfs/dbraw/zinc/13/68/45/557136845.db2.gz	VTQKXNBUTKQIHA-UHFFFAOYSA-N	0	2	447.494	3.788	50	5		IHBALN
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001139081	568661728	/nfs/dbraw/zinc/66/17/28/568661728.db2.gz	LJSCBGIZBIZXKZ-UHFFFAOYSA-N	0	2	427.438	3.657	50	5		IHBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1	ZINC000017094765	569172615	/nfs/dbraw/zinc/17/26/15/569172615.db2.gz	COWGWVRABVSRIP-UHFFFAOYSA-N	0	2	426.376	3.659	50	5		IHBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1Br	ZINC000095397961	569363642	/nfs/dbraw/zinc/36/36/42/569363642.db2.gz	TWKWZWBGDQMKRR-UHFFFAOYSA-N	0	2	426.170	3.572	50	5		IHBALN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2F)c1	ZINC000012532521	525471084	/nfs/dbraw/zinc/47/10/84/525471084.db2.gz	HJHXDANUMCOJEA-UHFFFAOYSA-N	0	2	445.428	3.796	50	5		IHBALN
Cc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1[N+](=O)[O-]	ZINC000002730925	569418886	/nfs/dbraw/zinc/41/88/86/569418886.db2.gz	VNUYXPMISGYNHQ-UHFFFAOYSA-N	0	2	444.908	3.836	50	5		IHBALN
O=C(c1ccco1)N1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21	ZINC000008768824	569474976	/nfs/dbraw/zinc/47/49/76/569474976.db2.gz	CHWAWFQKIKBUGK-UHFFFAOYSA-N	0	2	427.438	3.582	50	5		IHBALN
O=[N+]([O-])c1nn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1Cl	ZINC000002730982	569418806	/nfs/dbraw/zinc/41/88/06/569418806.db2.gz	VFASDFBHHGODLN-UHFFFAOYSA-N	0	2	430.881	3.527	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000002756008	569583885	/nfs/dbraw/zinc/58/38/85/569583885.db2.gz	SWQHCHCPBGGICQ-UHFFFAOYSA-N	0	2	438.874	3.758	50	5		IHBALN
COc1cc(C=Cc2nc3[nH]cnn3c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000034895113	555927931	/nfs/dbraw/zinc/92/79/31/555927931.db2.gz	PQFYVALYWUCIIV-XBXARRHUSA-N	0	2	437.387	3.635	50	5		IHBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl	ZINC000009234920	569294631	/nfs/dbraw/zinc/29/46/31/569294631.db2.gz	LIEMTRVBWUXCHV-FNORWQNLSA-N	0	2	447.806	3.522	50	5		IHBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000009234960	569294712	/nfs/dbraw/zinc/29/47/12/569294712.db2.gz	JGDDRCWCRIXZJK-PKNBQFBNSA-N	0	2	445.431	3.883	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000020534084	527256262	/nfs/dbraw/zinc/25/62/62/527256262.db2.gz	LBMMBDUSDXKORV-UHFFFAOYSA-N	0	2	449.448	3.591	50	5		IHBALN
Cc1cc2nc3c(=O)n(C4CCCCC4)c(=O)nc-3[nH]c2cc1NC(=O)c1ccccc1	ZINC000009599118	569551146	/nfs/dbraw/zinc/55/11/46/569551146.db2.gz	DTEXGXJOJVYHSG-UHFFFAOYSA-N	0	2	429.480	3.699	50	5		IHBALN
COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1c(F)cccc1Cl	ZINC000009234856	569294732	/nfs/dbraw/zinc/29/47/32/569294732.db2.gz	TYUISJRCWHEEKE-FNORWQNLSA-N	0	2	447.806	3.522	50	5		IHBALN
CCOC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000001037244	521486286	/nfs/dbraw/zinc/48/62/86/521486286.db2.gz	BXQPYUQZOFOYMP-UHFFFAOYSA-N	0	2	433.486	3.563	50	5		IHBALN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Br)c(O)c(Br)c1	ZINC000000838279	557279667	/nfs/dbraw/zinc/27/96/67/557279667.db2.gz	WSIIPXJVSXETTI-UHFFFAOYSA-N	0	2	442.019	3.626	50	5		IHBALN
COc1ccccc1Nc1nc(Nc2ccccc2OC)c([N+](=O)[O-])c(N)c1[N+](=O)[O-]	ZINC000016663576	568931559	/nfs/dbraw/zinc/93/15/59/568931559.db2.gz	SFNBDZMXWRMGPC-UHFFFAOYSA-N	0	2	426.389	3.985	50	5		IHBALN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1F	ZINC000079066457	569324293	/nfs/dbraw/zinc/32/42/93/569324293.db2.gz	CRACOADUGWUNAA-CHWSQXEVSA-N	0	2	441.456	3.596	50	5		IHBALN
Cc1cc([N+](=O)[O-])nn1Cc1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1	ZINC000002731490	569419352	/nfs/dbraw/zinc/41/93/52/569419352.db2.gz	LHRPLDBYSLZDFB-UHFFFAOYSA-N	0	2	448.871	3.780	50	5		IHBALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)cc2)no1	ZINC000003613294	569455007	/nfs/dbraw/zinc/45/50/07/569455007.db2.gz	ZOBDGICCPFIHNG-UHFFFAOYSA-N	0	2	433.471	3.501	50	5		IHBALN
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000014371977	557336686	/nfs/dbraw/zinc/33/66/86/557336686.db2.gz	OVBIRSBQGFCEOG-UHFFFAOYSA-N	0	2	435.465	3.909	50	5		IHBALN
COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000030529950	569443418	/nfs/dbraw/zinc/44/34/18/569443418.db2.gz	AXSDIQXLKPUKDE-UHFFFAOYSA-N	0	2	434.392	3.748	50	5		IHBALN
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000012462241	525051328	/nfs/dbraw/zinc/05/13/28/525051328.db2.gz	HTOOEHWYLAQZLF-RQZCQDPDSA-N	0	2	427.438	3.592	50	5		IHBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1Cl	ZINC000033248193	556889814	/nfs/dbraw/zinc/88/98/14/556889814.db2.gz	FSHFPFCUUWYLTP-VURMDHGXSA-N	0	2	429.816	3.795	50	5		IHBALN
O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036073947	568945731	/nfs/dbraw/zinc/94/57/31/568945731.db2.gz	HZLXCGJJQAOSHK-CHHVJCJISA-N	0	2	433.829	3.629	50	5		IHBALN
Cc1cc([N+](=O)[O-])nn1Cc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002731020	569419343	/nfs/dbraw/zinc/41/93/43/569419343.db2.gz	CMLTVTAEGQOTFD-UHFFFAOYSA-N	0	2	430.881	3.641	50	5		IHBALN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000002736684	569583840	/nfs/dbraw/zinc/58/38/40/569583840.db2.gz	SQSLLXCHEQRUPN-UHFFFAOYSA-N	0	2	438.874	3.758	50	5		IHBALN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000001884943	569583205	/nfs/dbraw/zinc/58/32/05/569583205.db2.gz	FTGMZDILPXDMNQ-RUDMXATFSA-N	0	2	430.467	3.504	50	5		IHBALN
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000006229113	569583225	/nfs/dbraw/zinc/58/32/25/569583225.db2.gz	YJFQBRMPAWJHEY-BJMVGYQFSA-N	0	2	430.467	3.504	50	5		IHBALN
O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009096976	562967039	/nfs/dbraw/zinc/96/70/39/562967039.db2.gz	VPFCDUVXTZBVDX-UHFFFAOYSA-N	0	2	432.845	3.696	50	5		IHBALN
Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	ZINC000002989760	569433807	/nfs/dbraw/zinc/43/38/07/569433807.db2.gz	VFGFTKWOEQJAER-UHFFFAOYSA-N	0	2	447.494	3.505	50	5		IHBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1	ZINC000008442284	556177438	/nfs/dbraw/zinc/17/74/38/556177438.db2.gz	BNCWOJJQGYHFCO-UHFFFAOYSA-N	0	2	427.269	3.947	50	5		IHBALN
O=c1cc(-c2cccc([N+](=O)[O-])c2O)nc(-c2cccc(I)c2)o1	ZINC000013801821	556741807	/nfs/dbraw/zinc/74/18/07/556741807.db2.gz	MJJBTXSSDILLAS-UHFFFAOYSA-N	0	2	436.161	3.587	50	5		IHBALN
COc1cccc(Nc2nc(Nc3cccc(OC)c3)c([N+](=O)[O-])c(N)c2[N+](=O)[O-])c1	ZINC000016663603	568931548	/nfs/dbraw/zinc/93/15/48/568931548.db2.gz	OSVROKOZMPBPFS-UHFFFAOYSA-N	0	2	426.389	3.985	50	5		IHBALN
Cc1nnc(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)[nH]c1=O	ZINC000013637685	556705129	/nfs/dbraw/zinc/70/51/29/556705129.db2.gz	CJRABECWDFUGGD-OAHLLOKOSA-N	0	2	431.861	3.919	50	5		IHBALN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009971420	569298732	/nfs/dbraw/zinc/29/87/32/569298732.db2.gz	CEHBBISKWKWUDZ-UHFFFAOYSA-N	0	2	427.438	3.657	50	5		IHBALN
Cc1c([N+](=O)[O-])cnn1CCc1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1	ZINC000002730996	569419392	/nfs/dbraw/zinc/41/93/92/569419392.db2.gz	NFXBAEPWACBMCV-UHFFFAOYSA-N	0	2	444.908	3.836	50	5		IHBALN
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c(O)c([N+](=O)[O-])c1	ZINC000015008944	557242866	/nfs/dbraw/zinc/24/28/66/557242866.db2.gz	HUUZXGWGIKWGGM-RQZCQDPDSA-N	0	2	441.465	3.901	50	5		IHBALN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1F	ZINC000079066464	569324288	/nfs/dbraw/zinc/32/42/88/569324288.db2.gz	CRACOADUGWUNAA-STQMWFEESA-N	0	2	441.456	3.596	50	5		IHBALN
C[C@@H](c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002731377	569419045	/nfs/dbraw/zinc/41/90/45/569419045.db2.gz	OKPDDASGVSSKJV-NSHDSACASA-N	0	2	430.881	3.894	50	5		IHBALN
O=C(Nc1ccc(Br)cc1)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000016286342	568875382	/nfs/dbraw/zinc/87/53/82/568875382.db2.gz	JOIHXYFEIDXDKG-UHFFFAOYSA-N	0	2	430.218	3.585	50	5		IHBALN
O=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)Nc1ccc(Br)cc1	ZINC000016286342	568875385	/nfs/dbraw/zinc/87/53/85/568875385.db2.gz	JOIHXYFEIDXDKG-UHFFFAOYSA-N	0	2	430.218	3.585	50	5		IHBALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)no1	ZINC000002828490	569423144	/nfs/dbraw/zinc/42/31/44/569423144.db2.gz	ROSYYAAUDPWNDJ-UHFFFAOYSA-N	0	2	436.833	3.598	50	5		IHBALN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000009492250	569540564	/nfs/dbraw/zinc/54/05/64/569540564.db2.gz	NXJCLGNTIXYZRZ-UHFFFAOYSA-N	0	2	447.494	3.505	50	5		IHBALN
O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000035267067	527139925	/nfs/dbraw/zinc/13/99/25/527139925.db2.gz	JYEKFFXJIUKYAR-UHFFFAOYSA-N	0	2	426.454	3.513	50	5		IHBALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)no1	ZINC000001779628	568906055	/nfs/dbraw/zinc/90/60/55/568906055.db2.gz	BDMQDAQUGREJLG-UHFFFAOYSA-N	0	2	436.833	3.598	50	5		IHBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1	ZINC000017095259	569172408	/nfs/dbraw/zinc/17/24/08/569172408.db2.gz	KGFWLKOSLIVELA-UHFFFAOYSA-N	0	2	427.269	3.947	50	5		IHBALN
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002813912	569422854	/nfs/dbraw/zinc/42/28/54/569422854.db2.gz	YBSVDIWATUGJCI-UHFFFAOYSA-N	0	2	447.494	3.505	50	5		IHBALN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014011041	557277295	/nfs/dbraw/zinc/27/72/95/557277295.db2.gz	BKXJOODUTLPFKU-UHFFFAOYSA-N	0	2	427.438	3.657	50	5		IHBALN
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)no1	ZINC000001772150	568906047	/nfs/dbraw/zinc/90/60/47/568906047.db2.gz	GGMFTRNQVATVPY-UHFFFAOYSA-N	0	2	436.833	3.598	50	5		IHBALN
CCOC(=O)c1ccc(S(=O)(=O)Nc2c(OC)ccc3nc4ccccc4nc32)cc1	ZINC000009716598	569563238	/nfs/dbraw/zinc/56/32/38/569563238.db2.gz	QEBXBMSWLMVSEM-UHFFFAOYSA-N	0	2	437.477	3.769	50	5		IHBALN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(O)cc2)c1	ZINC000006142084	568845475	/nfs/dbraw/zinc/84/54/75/568845475.db2.gz	JQAQIFFKMBRNFG-UHFFFAOYSA-N	0	2	437.437	3.788	50	5		IHBALN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1F	ZINC000079066442	569324275	/nfs/dbraw/zinc/32/42/75/569324275.db2.gz	CRACOADUGWUNAA-BETUJISGSA-N	0	2	441.456	3.596	50	5		IHBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)cc1	ZINC000002804511	569422313	/nfs/dbraw/zinc/42/23/13/569422313.db2.gz	BXHXDULWURARBM-UHFFFAOYSA-N	0	2	427.269	3.947	50	5		IHBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1	ZINC000012734572	527405685	/nfs/dbraw/zinc/40/56/85/527405685.db2.gz	FEYFAEWSUZTHCU-UHFFFAOYSA-N	0	2	431.449	3.520	50	5		IHBALN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1	ZINC000003569731	556817616	/nfs/dbraw/zinc/81/76/16/556817616.db2.gz	ATTCQRIJWDZNAO-UHFFFAOYSA-N	0	2	441.465	3.965	50	5		IHBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1	ZINC000009714671	132237172	/nfs/dbraw/zinc/23/71/72/132237172.db2.gz	NZSPNSWVWLFETH-UHFFFAOYSA-N	0	2	439.497	3.843	50	5		IHBALN
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1	ZINC000012605595	527338236	/nfs/dbraw/zinc/33/82/36/527338236.db2.gz	VZWFXPUWVOXWAZ-UHFFFAOYSA-N	0	2	430.339	3.739	50	5		IHBALN
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1	ZINC000009234661	569294478	/nfs/dbraw/zinc/29/44/78/569294478.db2.gz	BWHHGGSGDPELIC-CMDGGOBGSA-N	0	2	443.843	3.773	50	5		IHBALN
CCOC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1	ZINC000020029626	569332441	/nfs/dbraw/zinc/33/24/41/569332441.db2.gz	CKGHQDIONKMHTB-MRXNPFEDSA-N	0	2	447.241	3.820	50	5		IHBALN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1	ZINC000009714601	569562848	/nfs/dbraw/zinc/56/28/48/569562848.db2.gz	WECQZBZNFGZRFK-UHFFFAOYSA-N	0	2	439.497	3.843	50	5		IHBALN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl	ZINC000001193024	562920850	/nfs/dbraw/zinc/92/08/50/562920850.db2.gz	ZCGYUBHGMNZAFT-UHFFFAOYSA-N	0	2	432.845	3.696	50	5		IHBALN
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl	ZINC000008927109	562966123	/nfs/dbraw/zinc/96/61/23/562966123.db2.gz	PEIVIQFUEZBURT-UHFFFAOYSA-N	0	2	432.845	3.696	50	5		IHBALN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	ZINC000016382750	568886169	/nfs/dbraw/zinc/88/61/69/568886169.db2.gz	PLEBKAZWOQKIPS-INIZCTEOSA-N	0	2	436.346	3.586	50	5		IHBALN
C[C@H](c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1	ZINC000002731378	569418998	/nfs/dbraw/zinc/41/89/98/569418998.db2.gz	OKPDDASGVSSKJV-LLVKDONJSA-N	0	2	430.881	3.894	50	5		IHBALN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1	ZINC000002804762	569422282	/nfs/dbraw/zinc/42/22/82/569422282.db2.gz	YQAJQJJJROOHMK-UHFFFAOYSA-N	0	2	426.376	3.659	50	5		IHBALN
COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009546291	569546266	/nfs/dbraw/zinc/54/62/66/569546266.db2.gz	AQALZKGNKCXMOH-UHFFFAOYSA-N	0	2	427.438	3.657	50	5		IHBALN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000023043318	556986358	/nfs/dbraw/zinc/98/63/58/556986358.db2.gz	JGSKFJMMPRKJIA-UHFFFAOYSA-N	0	2	427.438	3.657	50	5		IHBALN
COC(=O)c1cc([N+](=O)[O-])c(Nc2ccc([N+](=O)[O-])cc2Br)c([N+](=O)[O-])c1	ZINC000033353057	557128360	/nfs/dbraw/zinc/12/83/60/557128360.db2.gz	JUUMQNXBAIGWCC-UHFFFAOYSA-N	0	2	441.150	3.704	50	5		IHBALN
COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000089404500	568922912	/nfs/dbraw/zinc/92/29/12/568922912.db2.gz	KIDVLGVQZFKSOB-UHFFFAOYSA-N	0	2	449.666	3.598	50	5		IHBALN
O=[N+]([O-])c1cnn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c1	ZINC000002731316	569419345	/nfs/dbraw/zinc/41/93/45/569419345.db2.gz	PRIWYCMYASKJID-UHFFFAOYSA-N	0	2	430.881	3.527	50	5		IHBALN
CCOc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc(OCC)c1OCC	ZINC000037089067	569139988	/nfs/dbraw/zinc/13/99/88/569139988.db2.gz	FRNPVFUHPPVMOV-UHFFFAOYSA-N	0	2	449.485	3.623	50	5		IHBALN
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000030840482	569449425	/nfs/dbraw/zinc/44/94/25/569449425.db2.gz	JGDDRCWCRIXZJK-LUAWRHEFSA-N	0	2	445.431	3.883	50	5		IHBALN