smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000408608091	559221334	/nfs/dbraw/zinc/22/13/34/559221334.db2.gz	MREBLIRJHCINON-FQEVSTJZSA-N	0	1	411.458	3.267	40	5		HGBBMN
COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1	ZINC000006171293	569329755	/nfs/dbraw/zinc/32/97/55/569329755.db2.gz	DAMMEAFIFRAJCL-UHFFFAOYSA-N	0	1	403.395	3.258	40	5		HGBBMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000017320484	569289050	/nfs/dbraw/zinc/28/90/50/569289050.db2.gz	UOTVIJHXDWDUBN-UHFFFAOYSA-N	0	1	403.460	3.330	40	5		HGBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000007342077	569336925	/nfs/dbraw/zinc/33/69/25/569336925.db2.gz	SHHVCAMIQPLSLW-UHFFFAOYSA-N	0	1	400.416	3.372	40	5		HGBBMN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1	ZINC000019594115	569424025	/nfs/dbraw/zinc/42/40/25/569424025.db2.gz	WWPWXHXKFQUHKZ-NXIIHZOPSA-N	0	1	401.444	3.471	40	5		HGBBMN
CC(=O)Nc1cccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1	ZINC000408638283	559222702	/nfs/dbraw/zinc/22/27/02/559222702.db2.gz	QTAAPDMGLNKVFH-UHFFFAOYSA-N	0	1	400.376	3.398	40	5		HGBBMN
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)S1	ZINC000408801132	560642468	/nfs/dbraw/zinc/64/24/68/560642468.db2.gz	UBZQOMREMXSUKK-UHFFFAOYSA-N	0	1	416.435	3.389	40	5		HGBBMN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000020481536	568612472	/nfs/dbraw/zinc/61/24/72/568612472.db2.gz	APMFSYAYVXTLMW-IZZDOVSWSA-N	0	1	424.438	3.443	40	5		HGBBMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-]	ZINC000216941415	568845074	/nfs/dbraw/zinc/84/50/74/568845074.db2.gz	LOJQXFDGTGJMOW-UHFFFAOYSA-N	0	1	405.476	3.177	40	5		HGBBMN
CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409097649	560676008	/nfs/dbraw/zinc/67/60/08/560676008.db2.gz	NBFHOIBOXRSCAS-AWNIVKPZSA-N	0	1	403.778	3.450	40	5		HGBBMN
Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	ZINC000016921105	569267415	/nfs/dbraw/zinc/26/74/15/569267415.db2.gz	YSGBZSGLAUKVNE-PXNMLYILSA-N	0	1	413.411	3.284	40	5		HGBBMN
CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000017088270	569273838	/nfs/dbraw/zinc/27/38/38/569273838.db2.gz	ZYTMYIBQHCCHJJ-UHFFFAOYSA-N	0	1	409.490	3.199	40	5		HGBBMN
CN1CCN(c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000216929196	568841364	/nfs/dbraw/zinc/84/13/64/568841364.db2.gz	HRKVGYCTALEPOB-UHFFFAOYSA-N	0	1	400.504	3.219	40	5		HGBBMN
CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O	ZINC000409209926	560694517	/nfs/dbraw/zinc/69/45/17/560694517.db2.gz	HBDWLQPOEXSRBG-ZROIWOOFSA-N	0	1	424.431	3.079	40	5		HGBBMN
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000016920382	569267452	/nfs/dbraw/zinc/26/74/52/569267452.db2.gz	NSICKYVELAOYIB-CHHVJCJISA-N	0	1	417.374	3.115	40	5		HGBBMN
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408916942	560653365	/nfs/dbraw/zinc/65/33/65/560653365.db2.gz	JDRDZQFEKBUGIB-OVCLIPMQSA-N	0	1	417.805	3.406	40	5		HGBBMN
O=C(NCCSc1nc(-c2ccccc2)n[nH]1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225989802	568784584	/nfs/dbraw/zinc/78/45/84/568784584.db2.gz	QIXQTSNYWOUSME-UHFFFAOYSA-N	0	1	409.471	3.320	40	5		HGBBMN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1[N+](=O)[O-]	ZINC000030864675	568897739	/nfs/dbraw/zinc/89/77/39/568897739.db2.gz	GEMAURYNUAGUBI-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000409222829	560698902	/nfs/dbraw/zinc/69/89/02/560698902.db2.gz	XTEUALHQHCGOOR-NTUHNPAUSA-N	0	1	403.778	3.450	40	5		HGBBMN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1[N+](=O)[O-]	ZINC000020038231	568586783	/nfs/dbraw/zinc/58/67/83/568586783.db2.gz	BYEXPGDRHFNRSH-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
Cc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1	ZINC000016921000	569267422	/nfs/dbraw/zinc/26/74/22/569267422.db2.gz	ZDRWKMSYWXVZRO-PXNMLYILSA-N	0	1	413.411	3.284	40	5		HGBBMN
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O	ZINC000409245799	559246570	/nfs/dbraw/zinc/24/65/70/559246570.db2.gz	ZFGAXFIMEOHALT-RIYZIHGNSA-N	0	1	403.778	3.450	40	5		HGBBMN
Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000408608097	559221351	/nfs/dbraw/zinc/22/13/51/559221351.db2.gz	MREBLIRJHCINON-HXUWFJFHSA-N	0	1	411.458	3.267	40	5		HGBBMN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cccc1[N+](=O)[O-]	ZINC000020491315	568613622	/nfs/dbraw/zinc/61/36/22/568613622.db2.gz	QFCPGYGTJWZLNM-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000223581070	569030564	/nfs/dbraw/zinc/03/05/64/569030564.db2.gz	NAYSYONIVFXHAH-UHFFFAOYSA-N	0	1	416.459	3.421	40	5		HGBBMN
CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1	ZINC000040399132	522123725	/nfs/dbraw/zinc/12/37/25/522123725.db2.gz	VHMMUNLHIUQPOO-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
CCc1nc(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399132	522123734	/nfs/dbraw/zinc/12/37/34/522123734.db2.gz	VHMMUNLHIUQPOO-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000006025811	568835394	/nfs/dbraw/zinc/83/53/94/568835394.db2.gz	GTGJLXXPMNVKKB-KPKJPENVSA-N	0	1	424.438	3.443	40	5		HGBBMN
CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000223590182	569030568	/nfs/dbraw/zinc/03/05/68/569030568.db2.gz	WFHJKBMTRMXIFZ-UHFFFAOYSA-N	0	1	402.432	3.247	40	5		HGBBMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc([N+](=O)[O-])c1O	ZINC000409211116	560695138	/nfs/dbraw/zinc/69/51/38/560695138.db2.gz	KVRWNKGPSKOADO-WULZRQGASA-N	0	1	424.431	3.077	40	5		HGBBMN
COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000106759647	560893689	/nfs/dbraw/zinc/89/36/89/560893689.db2.gz	QZPBFGZUNFYBJL-WJDWOHSUSA-N	0	1	416.411	3.424	40	5		HGBBMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947077	568847616	/nfs/dbraw/zinc/84/76/16/568847616.db2.gz	FZTHIQGMJYBCCE-UHFFFAOYSA-N	0	1	405.476	3.177	40	5		HGBBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000030870478	568897974	/nfs/dbraw/zinc/89/79/74/568897974.db2.gz	ZZMHBKFXVBILBZ-AWNIVKPZSA-N	0	1	424.438	3.443	40	5		HGBBMN
CCCn1ccc2nc3ccn(-c4nnc(C5CCCCC5)[nH]4)c(=O)c3cc2c1=O	ZINC000040399014	521659060	/nfs/dbraw/zinc/65/90/60/521659060.db2.gz	NXDPWXKWPKRCBK-UHFFFAOYSA-N	0	1	404.474	3.276	40	5		HGBBMN
CCCn1ccc2nc3ccn(-c4n[nH]c(C5CCCCC5)n4)c(=O)c3cc2c1=O	ZINC000040399014	521659067	/nfs/dbraw/zinc/65/90/67/521659067.db2.gz	NXDPWXKWPKRCBK-UHFFFAOYSA-N	0	1	404.474	3.276	40	5		HGBBMN
Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000408610612	559221302	/nfs/dbraw/zinc/22/13/02/559221302.db2.gz	QPSNFDDDBQIDRO-LJQANCHMSA-N	0	1	411.458	3.267	40	5		HGBBMN
O=C1NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N1	ZINC000408917983	560654465	/nfs/dbraw/zinc/65/44/65/560654465.db2.gz	DSNYQKYRNXKUHK-RIYZIHGNSA-N	0	1	418.203	3.117	40	5		HGBBMN
CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000223590252	569030582	/nfs/dbraw/zinc/03/05/82/569030582.db2.gz	CTFXTDAVRVVWDV-UHFFFAOYSA-N	0	1	416.459	3.421	40	5		HGBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000019928927	568585726	/nfs/dbraw/zinc/58/57/26/568585726.db2.gz	HZFCDPFYMILNEJ-UHFFFAOYSA-N	0	1	415.431	3.128	40	5		HGBBMN
Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O	ZINC000016920891	569267448	/nfs/dbraw/zinc/26/74/48/569267448.db2.gz	LNHHVNRNTQITLO-PXNMLYILSA-N	0	1	413.411	3.284	40	5		HGBBMN
CCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1	ZINC000040399133	522121552	/nfs/dbraw/zinc/12/15/52/522121552.db2.gz	YFSBZJQLKSPVKN-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
CCc1nc(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399133	522121559	/nfs/dbraw/zinc/12/15/59/522121559.db2.gz	YFSBZJQLKSPVKN-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
COc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000013546539	558842432	/nfs/dbraw/zinc/84/24/32/558842432.db2.gz	NFSMGAOJOVTQRA-AUWJEWJLSA-N	0	1	403.778	3.016	40	5		HGBBMN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1	ZINC000408607278	559221226	/nfs/dbraw/zinc/22/12/26/559221226.db2.gz	KMHRJIGEVGKWSS-GOSISDBHSA-N	0	1	410.430	3.166	40	5		HGBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1	ZINC000019928934	568586043	/nfs/dbraw/zinc/58/60/43/568586043.db2.gz	PEWUZWPJZROTSP-UHFFFAOYSA-N	0	1	415.431	3.128	40	5		HGBBMN
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)S2)cc1	ZINC000034701675	568455291	/nfs/dbraw/zinc/45/52/91/568455291.db2.gz	VJGMJEWPVQAAHM-VPEZWSJASA-N	0	1	401.444	3.471	40	5		HGBBMN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1	ZINC000216405165	568824469	/nfs/dbraw/zinc/82/44/69/568824469.db2.gz	MEJKBAAOCMAYLL-LFYBBSHMSA-N	0	1	424.438	3.443	40	5		HGBBMN
COc1cc(OC)cc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1	ZINC000033405345	569350494	/nfs/dbraw/zinc/35/04/94/569350494.db2.gz	NRXPGLUUCLTBOM-UHFFFAOYSA-N	0	1	403.376	3.457	40	5		HGBBMN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1	ZINC000019594117	569424169	/nfs/dbraw/zinc/42/41/69/569424169.db2.gz	WWPWXHXKFQUHKZ-LZOLKVDOSA-N	0	1	401.444	3.471	40	5		HGBBMN
COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409041968	560669003	/nfs/dbraw/zinc/66/90/03/560669003.db2.gz	LOMITURUQCACLB-VGOFMYFVSA-N	0	1	403.778	3.016	40	5		HGBBMN
CCOc1ccc([C@@H](N)c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1OCC	ZINC000095534615	568635624	/nfs/dbraw/zinc/63/56/24/568635624.db2.gz	LHBBYOSFROXWCH-GOSISDBHSA-N	0	1	413.434	3.234	40	5		HGBBMN
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000216366612	568824142	/nfs/dbraw/zinc/82/41/42/568824142.db2.gz	PQVRAKGRPRUKOK-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](N2CCc3ccccc3C2)C1	ZINC000408607281	559221327	/nfs/dbraw/zinc/22/13/27/559221327.db2.gz	KMHRJIGEVGKWSS-SFHVURJKSA-N	0	1	410.430	3.166	40	5		HGBBMN
CCOc1ccccc1NC(=O)Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1O	ZINC000005499918	557658167	/nfs/dbraw/zinc/65/81/67/557658167.db2.gz	RWFHLEJLPWDGTI-MRXNPFEDSA-N	0	1	414.443	3.432	40	5		HGBBMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc([N+](=O)[O-])c1O	ZINC000409211114	559245476	/nfs/dbraw/zinc/24/54/76/559245476.db2.gz	KVRWNKGPSKOADO-DOQDJBIESA-N	0	1	424.431	3.077	40	5		HGBBMN
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)S2)cc1	ZINC000034701677	568455320	/nfs/dbraw/zinc/45/53/20/568455320.db2.gz	VJGMJEWPVQAAHM-QHVUTBCBSA-N	0	1	401.444	3.471	40	5		HGBBMN
O=C1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1	ZINC000009311701	569392213	/nfs/dbraw/zinc/39/22/13/569392213.db2.gz	QRRYDVMXAAMZPU-ZSOIEALJSA-N	0	1	418.203	3.117	40	5		HGBBMN
O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1	ZINC000409247620	559246843	/nfs/dbraw/zinc/24/68/43/559246843.db2.gz	DUGJOIGXDUIHNM-VIZOYTHASA-N	0	1	417.374	3.115	40	5		HGBBMN
CCOc1ccccc1NC(=O)Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1O	ZINC000005499919	560597311	/nfs/dbraw/zinc/59/73/11/560597311.db2.gz	RWFHLEJLPWDGTI-INIZCTEOSA-N	0	1	414.443	3.432	40	5		HGBBMN
O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1nnc(C2CCCCC2)[nH]1	ZINC000040399025	527463430	/nfs/dbraw/zinc/46/34/30/527463430.db2.gz	LNBJMNRPDRKBRF-UHFFFAOYSA-N	0	1	402.458	3.201	40	5		HGBBMN
O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1n[nH]c(C2CCCCC2)n1	ZINC000040399025	527463432	/nfs/dbraw/zinc/46/34/32/527463432.db2.gz	LNBJMNRPDRKBRF-UHFFFAOYSA-N	0	1	402.458	3.201	40	5		HGBBMN
Cc1ccc([C@H](CCC(=O)[O-])[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000408610610	559221308	/nfs/dbraw/zinc/22/13/08/559221308.db2.gz	QPSNFDDDBQIDRO-IBGZPJMESA-N	0	1	411.458	3.267	40	5		HGBBMN
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nnc1-c1ccccc1O	ZINC000409412311	559249677	/nfs/dbraw/zinc/24/96/77/559249677.db2.gz	HYJQNYUIFZVXBA-UHFFFAOYSA-N	0	1	415.431	3.015	40	5		HGBBMN
CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1	ZINC000040399134	522123909	/nfs/dbraw/zinc/12/39/09/522123909.db2.gz	TXLXITTVCHGPIJ-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
CCc1nc(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399134	522123916	/nfs/dbraw/zinc/12/39/16/522123916.db2.gz	TXLXITTVCHGPIJ-UHFFFAOYSA-N	0	1	418.844	3.024	40	5		HGBBMN
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1[N+](=O)[O-]	ZINC000216487142	568825248	/nfs/dbraw/zinc/82/52/48/568825248.db2.gz	JCAPLRPCSCENOB-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)cc21	ZINC000223366350	568988071	/nfs/dbraw/zinc/98/80/71/568988071.db2.gz	GIESTBCIUPSVPV-UHFFFAOYSA-N	0	1	411.823	3.285	40	5		HGBBMN
CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000223581005	569030603	/nfs/dbraw/zinc/03/06/03/569030603.db2.gz	JZIJUDNEHUSDKQ-UHFFFAOYSA-N	0	1	402.432	3.247	40	5		HGBBMN
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cccc1[N+](=O)[O-]	ZINC000044844494	525656945	/nfs/dbraw/zinc/65/69/45/525656945.db2.gz	FUDZLGDUSXWZAH-UHFFFAOYSA-N	0	1	412.427	3.351	40	5		HGBBMN
CC(=O)Nc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1	ZINC000408637704	559222636	/nfs/dbraw/zinc/22/26/36/559222636.db2.gz	NJYUYXMHEBROES-UHFFFAOYSA-N	0	1	400.376	3.398	40	5		HGBBMN
CCOc1ccc([C@H](N)c2nnc(-c3ccc(OC)c([N+](=O)[O-])c3)[nH]2)cc1OCC	ZINC000095534614	568635907	/nfs/dbraw/zinc/63/59/07/568635907.db2.gz	LHBBYOSFROXWCH-SFHVURJKSA-N	0	1	413.434	3.234	40	5		HGBBMN
O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000016920794	569267432	/nfs/dbraw/zinc/26/74/32/569267432.db2.gz	WZJMMRYQEYDPCU-CHHVJCJISA-N	0	1	417.374	3.115	40	5		HGBBMN
COc1cc(OC)cc(-c2n[nH]c(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000107659401	569352832	/nfs/dbraw/zinc/35/28/32/569352832.db2.gz	UAJZOJXBPSJHDT-UHFFFAOYSA-N	0	1	400.416	3.372	40	5		HGBBMN