smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1-c1nc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)[nH]1	ZINC000013785498	556731567	/nfs/dbraw/zinc/73/15/67/556731567.db2.gz	SHPDJRANKWNBCC-UHFFFAOYSA-N	0	1	447.519	7.687	50	5		IKBAMN
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000015946236	568859230	/nfs/dbraw/zinc/85/92/30/568859230.db2.gz	UYTHHWOOXFVHKO-BUXKBTBVSA-N	0	1	445.541	5.341	50	5		IKBAMN
CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000065322313	569136551	/nfs/dbraw/zinc/13/65/51/569136551.db2.gz	FVQNBISFHQOIPR-UHFFFAOYSA-N	0	1	435.528	5.010	50	5		IKBAMN
CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000065322381	569136663	/nfs/dbraw/zinc/13/66/63/569136663.db2.gz	XBMVTAWCNIVEOM-UHFFFAOYSA-N	0	1	449.555	5.229	50	5		IKBAMN
CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000037587687	569202047	/nfs/dbraw/zinc/20/20/47/569202047.db2.gz	DAAGKQSNGSSDJY-UHFFFAOYSA-N	0	1	443.547	5.469	50	5		IKBAMN
C[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)C2CC2)cc1	ZINC000058158270	569449123	/nfs/dbraw/zinc/44/91/23/569449123.db2.gz	OUFKHWPKUZVXKA-AWEZNQCLSA-N	0	1	439.899	5.708	50	5		IKBAMN
CCC(C)(C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C(C)(C)CC)c1	ZINC000004014688	569458153	/nfs/dbraw/zinc/45/81/53/569458153.db2.gz	KQDIYCOYCHGNHL-UHFFFAOYSA-N	0	1	428.529	5.693	50	5		IKBAMN
CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1	ZINC000008765732	569474829	/nfs/dbraw/zinc/47/48/29/569474829.db2.gz	KZCCREGWRDGWAH-CQSZACIVSA-N	0	1	428.510	5.293	50	5		IKBAMN
CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020594976	521361776	/nfs/dbraw/zinc/36/17/76/521361776.db2.gz	JIORALKCEAPFEO-UHFFFAOYSA-N	0	1	449.555	5.373	50	5		IKBAMN
Cc1ccc(S(=O)(=O)Nc2cccc3ccc(/C=C/c4cccc([N+](=O)[O-])c4)nc32)cc1	ZINC000015856358	525615478	/nfs/dbraw/zinc/61/54/78/525615478.db2.gz	GRHOLCBBJQZZJX-ZRDIBKRKSA-N	0	1	445.500	5.423	50	5		IKBAMN
O=[N+]([O-])c1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)ccc1Br	ZINC000017138651	527324632	/nfs/dbraw/zinc/32/46/32/527324632.db2.gz	WXGNELZJIZTGOU-UHFFFAOYSA-N	0	1	426.295	6.143	50	5		IKBAMN
Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678763	555798061	/nfs/dbraw/zinc/79/80/61/555798061.db2.gz	BBQORVMBCSLLTA-UHFFFAOYSA-N	0	1	435.549	5.276	50	5		IKBAMN
Clc1cccc(-c2nc(-c3c4ccccc4cc4ccccc43)[nH]c2-c2ccccc2)c1	ZINC000013564542	556518466	/nfs/dbraw/zinc/51/84/66/556518466.db2.gz	CVSYAWJEJYWJRJ-UHFFFAOYSA-N	0	1	430.938	8.371	50	5		IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2c4ccccc4cc4ccccc42)N3)C1	ZINC000015946340	556567434	/nfs/dbraw/zinc/56/74/34/556567434.db2.gz	PRVKSGUILKSJRD-XMMPIXPASA-N	0	1	427.573	6.250	50	5		IKBAMN
COc1ccc(-c2[nH]c(-c3cc(OC)c(OC)cc3[N+](=O)[O-])nc2-c2ccccc2)cc1	ZINC000013552073	556696787	/nfs/dbraw/zinc/69/67/87/556696787.db2.gz	BAVIMTDZZJRESY-UHFFFAOYSA-N	0	1	431.448	5.345	50	5		IKBAMN
Cc1ccc(-c2cc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)[nH]n2)c(C)c1	ZINC000033027819	556707775	/nfs/dbraw/zinc/70/77/75/556707775.db2.gz	NBCNANWKCFRWRX-UHFFFAOYSA-N	0	1	425.521	5.178	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F	ZINC000034678779	557842196	/nfs/dbraw/zinc/84/21/96/557842196.db2.gz	VKJBUNRTGVPOKW-UHFFFAOYSA-N	0	1	447.510	5.354	50	5		IKBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1	ZINC000002982442	562931463	/nfs/dbraw/zinc/93/14/63/562931463.db2.gz	DCNCSOWZKKULQE-UHFFFAOYSA-N	0	1	437.502	5.186	50	5	aggregator	IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1	ZINC000015946357	568859226	/nfs/dbraw/zinc/85/92/26/568859226.db2.gz	XKCDUGXCBISGOX-FQEVSTJZSA-N	0	1	438.509	5.112	50	5		IKBAMN
Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccccc2[N+](=O)[O-])n1	ZINC000016361973	568878643	/nfs/dbraw/zinc/87/86/43/568878643.db2.gz	JZVFPFWYYNTCLI-UHFFFAOYSA-N	0	1	437.506	5.479	50	5		IKBAMN
CCCCOc1ccc(CSc2nc(-c3ccccc3OCCC)n[nH]2)cc1[N+](=O)[O-]	ZINC000006359736	568893470	/nfs/dbraw/zinc/89/34/70/568893470.db2.gz	RDWOBCUOAVZMQF-UHFFFAOYSA-N	0	1	442.541	5.640	50	5		IKBAMN
COC(=O)c1ccccc1Nc1nc(-c2ccccc2)c([N+](=O)[O-])c(-c2ccccc2)n1	ZINC000016663420	568931586	/nfs/dbraw/zinc/93/15/86/568931586.db2.gz	CIEPGMASQONSSZ-UHFFFAOYSA-N	0	1	426.432	5.249	50	5		IKBAMN
CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000065322382	569136600	/nfs/dbraw/zinc/13/66/00/569136600.db2.gz	JZJDIYJRXDNDIU-UHFFFAOYSA-N	0	1	449.555	5.229	50	5		IKBAMN
C[C@@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@H]2C1	ZINC000251846384	569162173	/nfs/dbraw/zinc/16/21/73/569162173.db2.gz	OPSSAWZOAYLHQW-JSVDNDDVSA-N	0	1	438.505	5.213	50	5		IKBAMN
C[C@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccc4ccccc4c32)C[C@H](C)O1	ZINC000253426949	569267351	/nfs/dbraw/zinc/26/73/51/569267351.db2.gz	SPOJEXYWWGMCJU-GJZGRUSLSA-N	0	1	432.490	5.102	50	5		IKBAMN
CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)ccc21	ZINC000002733987	569419124	/nfs/dbraw/zinc/41/91/24/569419124.db2.gz	GLBMXROQHDVRNL-UHFFFAOYSA-N	0	1	428.536	5.040	50	5		IKBAMN
CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc21	ZINC000004149970	569460484	/nfs/dbraw/zinc/46/04/84/569460484.db2.gz	ADZHGGIIUGSZAF-UHFFFAOYSA-N	0	1	438.461	5.114	50	5		IKBAMN
O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1	ZINC000008464098	569465351	/nfs/dbraw/zinc/46/53/51/569465351.db2.gz	YJQRBDDAZHCPCZ-UHFFFAOYSA-N	0	1	445.478	6.550	50	5		IKBAMN
CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3c2C1	ZINC000008765733	569474769	/nfs/dbraw/zinc/47/47/69/569474769.db2.gz	KZCCREGWRDGWAH-AWEZNQCLSA-N	0	1	428.510	5.293	50	5		IKBAMN
Fc1ccc(-c2nc(-c3c4ccccc4c(Cl)c4ccccc43)[nH]c2-c2ccccc2)cc1	ZINC000008854946	569479691	/nfs/dbraw/zinc/47/96/91/569479691.db2.gz	DDCSPJQXJLYKSO-UHFFFAOYSA-N	0	1	448.928	8.510	50	5		IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1	ZINC000008923110	569487009	/nfs/dbraw/zinc/48/70/09/569487009.db2.gz	NYXMGFHRMWMWJD-HXUWFJFHSA-N	0	1	438.509	5.112	50	5		IKBAMN
COc1cc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1OCc1ccccc1	ZINC000009805810	569568835	/nfs/dbraw/zinc/56/88/35/569568835.db2.gz	AITQOZRSBIBEQM-UHFFFAOYSA-N	0	1	444.491	5.195	50	5		IKBAMN
O=C1C(=Nc2ccc(Cl)cc2)C[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000102975528	557414471	/nfs/dbraw/zinc/41/44/71/557414471.db2.gz	DXOTZYWODPHRBY-OAQYLSRUSA-N	0	1	440.286	5.986	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccccc2F)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678766	557841736	/nfs/dbraw/zinc/84/17/36/557841736.db2.gz	JWPJQGPROMHOTF-UHFFFAOYSA-N	0	1	447.510	5.354	50	5		IKBAMN
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000015946235	568859287	/nfs/dbraw/zinc/85/92/87/568859287.db2.gz	UYTHHWOOXFVHKO-BLVKFPJESA-N	0	1	445.541	5.341	50	5		IKBAMN
O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(Sc3ccccc3)cc2)c(-c2ccccc2)[nH]1	ZINC000006460674	568918261	/nfs/dbraw/zinc/91/82/61/568918261.db2.gz	SMYAYLFBJIWZCQ-UHFFFAOYSA-N	0	1	449.535	7.470	50	5		IKBAMN
C[C@@H]1CC[C@@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@H]2C1	ZINC000251846385	569162202	/nfs/dbraw/zinc/16/22/02/569162202.db2.gz	OPSSAWZOAYLHQW-WTGRHJARSA-N	0	1	438.505	5.213	50	5		IKBAMN
CCCCCc1ccc(-c2n[nH]c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)cc1	ZINC000002149219	569186348	/nfs/dbraw/zinc/18/63/48/569186348.db2.gz	LUGKQPMMJDROKU-UHFFFAOYSA-N	0	1	436.459	6.283	50	5		IKBAMN
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(OC)c2OC)[nH]c1-c1ccccc1	ZINC000013388705	569315322	/nfs/dbraw/zinc/31/53/22/569315322.db2.gz	ICYXMSBOGDDBIO-UHFFFAOYSA-N	0	1	431.448	5.345	50	5		IKBAMN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019798130	569329796	/nfs/dbraw/zinc/32/97/96/569329796.db2.gz	XXPGQMZGZMRWDD-UHFFFAOYSA-N	0	1	441.453	5.525	50	5		IKBAMN
CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1[N+](=O)[O-]	ZINC000002971622	569433345	/nfs/dbraw/zinc/43/33/45/569433345.db2.gz	XJMYIZISGPXSCB-UHFFFAOYSA-N	0	1	433.420	5.068	50	5		IKBAMN
C[C@@H]1CC[C@@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1	ZINC000004149947	569460491	/nfs/dbraw/zinc/46/04/91/569460491.db2.gz	OPSSAWZOAYLHQW-LNHNDHHWSA-N	0	1	438.505	5.213	50	5		IKBAMN
COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)c(OC)c1C	ZINC000008742917	569472889	/nfs/dbraw/zinc/47/28/89/569472889.db2.gz	AXNJBZZZKXUOPN-UHFFFAOYSA-N	0	1	429.476	5.953	50	5		IKBAMN
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)c1	ZINC000008989922	569494999	/nfs/dbraw/zinc/49/49/99/569494999.db2.gz	WLTRVISOWGSBTF-UHFFFAOYSA-N	0	1	433.467	7.111	50	5		IKBAMN
CC(=O)c1ccc(N2CCN(Cc3c4ccccc4c(Cl)c4ccccc43)CC2)cc1	ZINC000012380101	518352184	/nfs/dbraw/zinc/35/21/84/518352184.db2.gz	VFYYGHVNNQELCL-UHFFFAOYSA-N	0	1	428.963	6.171	50	5		IKBAMN
Cc1ccc2nc(S[C@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)[nH]c2c1	ZINC000033590762	526101512	/nfs/dbraw/zinc/10/15/12/526101512.db2.gz	DCUPGOCABSKAIW-GFCCVEGCSA-N	0	1	439.522	5.022	50	5		IKBAMN
Cc1ccc(-c2nc3c([nH]2)c2cc(I)ccc2c2ccccc32)cc1	ZINC000013799905	556310210	/nfs/dbraw/zinc/31/02/10/556310210.db2.gz	NVNKIIBPUXTFNA-UHFFFAOYSA-N	0	1	434.280	6.449	50	5		IKBAMN
Cc1ccc(Sc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2[N+](=O)[O-])cc1	ZINC000004501562	556358565	/nfs/dbraw/zinc/35/85/65/556358565.db2.gz	DGQNVBQXTFOPKF-UHFFFAOYSA-N	0	1	433.577	5.372	50	5		IKBAMN
COc1cc(-c2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OC	ZINC000013564263	556697360	/nfs/dbraw/zinc/69/73/60/556697360.db2.gz	ZEDGJSCTAVNYAP-UHFFFAOYSA-N	0	1	429.476	5.953	50	5		IKBAMN
Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000000688098	557134333	/nfs/dbraw/zinc/13/43/33/557134333.db2.gz	JJAZVRHJPMILFR-FQEVSTJZSA-N	0	1	441.443	5.393	50	5		IKBAMN
CCOc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc([N+](=O)[O-])c1O	ZINC000015016634	557242800	/nfs/dbraw/zinc/24/28/00/557242800.db2.gz	XEOLXCNAFDZHOU-UHFFFAOYSA-N	0	1	427.460	5.842	50	5		IKBAMN
Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678770	557841777	/nfs/dbraw/zinc/84/17/77/557841777.db2.gz	LNXPXRZMHMNVPK-UHFFFAOYSA-N	0	1	443.547	5.523	50	5		IKBAMN
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000015946240	568859237	/nfs/dbraw/zinc/85/92/37/568859237.db2.gz	UYTHHWOOXFVHKO-HXPMCKFVSA-N	0	1	445.541	5.341	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000037570629	569201200	/nfs/dbraw/zinc/20/12/00/569201200.db2.gz	CPVYGRPTWPBVOQ-UHFFFAOYSA-N	0	1	429.520	5.215	50	5		IKBAMN
Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3O)oc2cc1C	ZINC000027522724	569262495	/nfs/dbraw/zinc/26/24/95/569262495.db2.gz	PXZOROCANLIQEA-UHFFFAOYSA-N	0	1	437.839	5.631	50	5		IKBAMN
C[C@@H]1CC[C@H]2Oc3c(cc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)[C@@H]2C1	ZINC000004149945	569460486	/nfs/dbraw/zinc/46/04/86/569460486.db2.gz	OPSSAWZOAYLHQW-YFYZNPQRSA-N	0	1	438.505	5.213	50	5		IKBAMN
COc1cc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)cc2c1OCO2	ZINC000008743987	569472830	/nfs/dbraw/zinc/47/28/30/569472830.db2.gz	GDPNTFDSCNKLPA-UHFFFAOYSA-N	0	1	445.431	5.065	50	5		IKBAMN
Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1[N+](=O)[O-]	ZINC000008974205	569492891	/nfs/dbraw/zinc/49/28/91/569492891.db2.gz	WILUBHDNWAGVFQ-UHFFFAOYSA-N	0	1	436.489	5.482	50	5		IKBAMN
Oc1cccc(-c2nc3c([nH]2)c2cc(I)ccc2c2ccccc32)c1	ZINC000009354851	569525114	/nfs/dbraw/zinc/52/51/14/569525114.db2.gz	VUUGMFHEDTWCPO-UHFFFAOYSA-N	0	1	436.252	5.847	50	5		IKBAMN
CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020594988	521361814	/nfs/dbraw/zinc/36/18/14/521361814.db2.gz	JDOKSWMEBIUINM-UHFFFAOYSA-N	0	1	449.555	5.373	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678764	555798128	/nfs/dbraw/zinc/79/81/28/555798128.db2.gz	GUPFMGWYRGEYTD-UHFFFAOYSA-N	0	1	429.520	5.215	50	5		IKBAMN
COc1cc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)cc(OC)c1OC	ZINC000008680619	556844511	/nfs/dbraw/zinc/84/45/11/556844511.db2.gz	DBCQTAFBBSPMSK-UHFFFAOYSA-N	0	1	445.475	5.653	50	5		IKBAMN
Nc1c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000023549863	557365884	/nfs/dbraw/zinc/36/58/84/557365884.db2.gz	NJAONVHWVDCYRX-UHFFFAOYSA-N	0	1	435.227	5.274	50	5		IKBAMN
CCCCOc1ccc(CSc2nc(-c3ccc(OCC)cc3)n[nH]2)cc1[N+](=O)[O-]	ZINC000006359731	568893518	/nfs/dbraw/zinc/89/35/18/568893518.db2.gz	VFOFLUAMWAENHJ-UHFFFAOYSA-N	0	1	428.514	5.250	50	5		IKBAMN
CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000065322315	569136637	/nfs/dbraw/zinc/13/66/37/569136637.db2.gz	MCBDAQZZYMOICH-UHFFFAOYSA-N	0	1	435.528	5.010	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000037559996	569200876	/nfs/dbraw/zinc/20/08/76/569200876.db2.gz	OSJUHSXQATVVBA-UHFFFAOYSA-N	0	1	447.510	5.354	50	5		IKBAMN
Cc1ccc(N(C(=O)c2cccc(C)c2)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000037560476	569201075	/nfs/dbraw/zinc/20/10/75/569201075.db2.gz	VTUZICNLJHBROL-UHFFFAOYSA-N	0	1	443.547	5.523	50	5		IKBAMN
CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)ccc21	ZINC000002735979	569418986	/nfs/dbraw/zinc/41/89/86/569418986.db2.gz	LRSFMPPTIILVOU-UHFFFAOYSA-N	0	1	428.536	5.040	50	5		IKBAMN
O=c1c2ccccc2n(C[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12	ZINC000004017938	569458195	/nfs/dbraw/zinc/45/81/95/569458195.db2.gz	QGLBRIJXYZJINR-VWLOTQADSA-N	0	1	448.566	5.218	50	5		IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1	ZINC000008923107	569486982	/nfs/dbraw/zinc/48/69/82/569486982.db2.gz	NYXMGFHRMWMWJD-FQEVSTJZSA-N	0	1	438.509	5.112	50	5		IKBAMN
CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000009959488	569575183	/nfs/dbraw/zinc/57/51/83/569575183.db2.gz	STLWCRQIYPGGDG-UHFFFAOYSA-N	0	1	435.528	5.154	50	5		IKBAMN
CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020594980	521361022	/nfs/dbraw/zinc/36/10/22/521361022.db2.gz	XEWIOMUURLBTDK-UHFFFAOYSA-N	0	1	449.555	5.373	50	5		IKBAMN
Cc1c(O)c(Sc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000008384831	556160631	/nfs/dbraw/zinc/16/06/31/556160631.db2.gz	ZYYFIACCSYKVJB-UHFFFAOYSA-N	0	1	430.485	5.578	50	5		IKBAMN
O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4ccc(O)cc4)[nH]c3-c3ccccc3)cc2)cc1	ZINC000004418648	556502415	/nfs/dbraw/zinc/50/24/15/556502415.db2.gz	HLKIZZYCRGUHQF-UHFFFAOYSA-N	0	1	433.467	6.692	50	5		IKBAMN
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccccc2)cc1	ZINC000013598041	556701489	/nfs/dbraw/zinc/70/14/89/556701489.db2.gz	GFNQAVXWHFRWCK-UHFFFAOYSA-N	0	1	438.256	6.221	50	5		IKBAMN
O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)ccc1Cl	ZINC000013617544	556703838	/nfs/dbraw/zinc/70/38/38/556703838.db2.gz	LJRZAFXNGANBMW-UHFFFAOYSA-N	0	1	444.705	7.279	50	5		IKBAMN
O=C1C(=Nc2ccc(Cl)cc2)C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1	ZINC000102975531	557414580	/nfs/dbraw/zinc/41/45/80/557414580.db2.gz	DXOTZYWODPHRBY-NRFANRHFSA-N	0	1	440.286	5.986	50	5		IKBAMN
COc1cc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)cc2c1OCO2	ZINC000001165749	568664779	/nfs/dbraw/zinc/66/47/79/568664779.db2.gz	NJYQQHVOGKJJLM-UHFFFAOYSA-N	0	1	429.432	5.365	50	5		IKBAMN
FC(F)(F)c1cccc(N2CCN(c3nc4ccccc4c4[nH]c5ccccc5c43)CC2)c1	ZINC000001877756	568742000	/nfs/dbraw/zinc/74/20/00/568742000.db2.gz	MMHZQZVJQHGIQI-UHFFFAOYSA-N	0	1	446.476	6.215	50	5		IKBAMN
COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OC	ZINC000006458875	568908133	/nfs/dbraw/zinc/90/81/33/568908133.db2.gz	QGZRHNOPIZCZLK-UHFFFAOYSA-N	0	1	435.867	5.990	50	5		IKBAMN
CC(C)n1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000065322317	569136674	/nfs/dbraw/zinc/13/66/74/569136674.db2.gz	RBABILBBXBREAH-UHFFFAOYSA-N	0	1	435.528	5.010	50	5		IKBAMN
C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccc4ccccc4c32)C[C@H](C)O1	ZINC000253426947	569267392	/nfs/dbraw/zinc/26/73/92/569267392.db2.gz	SPOJEXYWWGMCJU-GASCZTMLSA-N	0	1	432.490	5.102	50	5		IKBAMN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1	ZINC000003119827	569440409	/nfs/dbraw/zinc/44/04/09/569440409.db2.gz	BEPHODDETAPPJF-UHFFFAOYSA-N	0	1	435.214	5.857	50	5		IKBAMN
C[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(NC(=O)C2CC2)cc1	ZINC000058158271	569449114	/nfs/dbraw/zinc/44/91/14/569449114.db2.gz	OUFKHWPKUZVXKA-CQSZACIVSA-N	0	1	439.899	5.708	50	5		IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2c4ccccc4cc4ccccc42)N3)C1	ZINC000015946338	556567335	/nfs/dbraw/zinc/56/73/35/556567335.db2.gz	PRVKSGUILKSJRD-DEOSSOPVSA-N	0	1	427.573	6.250	50	5		IKBAMN
Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000000688097	557134014	/nfs/dbraw/zinc/13/40/14/557134014.db2.gz	JJAZVRHJPMILFR-HXUWFJFHSA-N	0	1	441.443	5.393	50	5		IKBAMN
Cc1ccc2nc(S[C@@H](C)C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)[nH]c2c1	ZINC000033590763	557415899	/nfs/dbraw/zinc/41/58/99/557415899.db2.gz	DCUPGOCABSKAIW-LBPRGKRZSA-N	0	1	439.522	5.022	50	5		IKBAMN
Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678752	557841255	/nfs/dbraw/zinc/84/12/55/557841255.db2.gz	ZHWMHZNUXIDCAJ-UHFFFAOYSA-N	0	1	429.520	5.215	50	5		IKBAMN
Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678762	557841487	/nfs/dbraw/zinc/84/14/87/557841487.db2.gz	RSLNXEYCZUQHHQ-UHFFFAOYSA-N	0	1	447.510	5.354	50	5		IKBAMN
COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)c(OC)c1C	ZINC000001138774	568661884	/nfs/dbraw/zinc/66/18/84/568661884.db2.gz	KKJPHCWSPNTMLA-UHFFFAOYSA-N	0	1	445.475	5.653	50	5		IKBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1	ZINC000015946359	568859209	/nfs/dbraw/zinc/85/92/09/568859209.db2.gz	XKCDUGXCBISGOX-HXUWFJFHSA-N	0	1	438.509	5.112	50	5		IKBAMN
CCCCOc1ccc(CSc2nc(-c3ccc(OCCC)cc3)n[nH]2)cc1[N+](=O)[O-]	ZINC000006359733	568893422	/nfs/dbraw/zinc/89/34/22/568893422.db2.gz	LLHBWTJFXVQIHI-UHFFFAOYSA-N	0	1	442.541	5.640	50	5		IKBAMN
O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4cccc(O)c4)[nH]c3-c3ccccc3)cc2)cc1	ZINC000006446729	568907403	/nfs/dbraw/zinc/90/74/03/568907403.db2.gz	KVMVOWVVTVKGSQ-UHFFFAOYSA-N	0	1	433.467	6.692	50	5		IKBAMN
CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000065322379	569136596	/nfs/dbraw/zinc/13/65/96/569136596.db2.gz	HCPKRXYVGDIQEQ-UHFFFAOYSA-N	0	1	449.555	5.229	50	5		IKBAMN
C[C@@H]1CN(C(C)(C)CNc2nc(C(F)(F)F)nc3ccc4ccccc4c32)C[C@@H](C)O1	ZINC000253426953	569267377	/nfs/dbraw/zinc/26/73/77/569267377.db2.gz	SPOJEXYWWGMCJU-HUUCEWRRSA-N	0	1	432.490	5.102	50	5		IKBAMN
CCn1c2ccccc2c2cc(CN3CCN(Cc4ccccc4[N+](=O)[O-])CC3)ccc21	ZINC000002734589	569419107	/nfs/dbraw/zinc/41/91/07/569419107.db2.gz	WBWQPWKTOZHESQ-UHFFFAOYSA-N	0	1	428.536	5.040	50	5		IKBAMN
O=c1oc2cc(O)ccc2cc1-c1csc(-c2cc3c(ccc4ccccc43)oc2=O)n1	ZINC000003182996	569441391	/nfs/dbraw/zinc/44/13/91/569441391.db2.gz	PRISNVOJDAELAE-UHFFFAOYSA-N	0	1	439.448	5.549	50	5		IKBAMN
Oc1ccc(-c2nc3c([nH]2)c2cc(I)ccc2c2ccccc32)cc1	ZINC000009310179	569521735	/nfs/dbraw/zinc/52/17/35/569521735.db2.gz	HAQVISNVHNAJFF-UHFFFAOYSA-N	0	1	436.252	5.847	50	5		IKBAMN
COc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1OCc1ccccc1	ZINC000009805813	569568858	/nfs/dbraw/zinc/56/88/58/569568858.db2.gz	NCXGPCIFMIAOBA-UHFFFAOYSA-N	0	1	444.491	5.195	50	5		IKBAMN
CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009959482	569575163	/nfs/dbraw/zinc/57/51/63/569575163.db2.gz	LUTUJDNLMBYFTC-UHFFFAOYSA-N	0	1	435.528	5.154	50	5		IKBAMN
CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678774	557841499	/nfs/dbraw/zinc/84/14/99/557841499.db2.gz	UIDQZRRIYKHYLM-UHFFFAOYSA-N	0	1	443.547	5.469	50	5		IKBAMN
Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000034678765	557841690	/nfs/dbraw/zinc/84/16/90/557841690.db2.gz	SIMCZBUXPDXHQT-UHFFFAOYSA-N	0	1	443.547	5.523	50	5		IKBAMN
COc1cc(-c2nc(-c3cc(C)ccc3C)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])cc1OC	ZINC000001143250	568660706	/nfs/dbraw/zinc/66/07/06/568660706.db2.gz	MMHDPCCSSQUSSK-UHFFFAOYSA-N	0	1	429.476	5.953	50	5		IKBAMN
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1	ZINC000015946238	568859284	/nfs/dbraw/zinc/85/92/84/568859284.db2.gz	UYTHHWOOXFVHKO-CWTRNNRKSA-N	0	1	445.541	5.341	50	5		IKBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CCCC3	ZINC000020035074	569332659	/nfs/dbraw/zinc/33/26/59/569332659.db2.gz	BUMCCBWXYZCVDV-UHFFFAOYSA-N	0	1	436.489	5.482	50	5		IKBAMN
O=c1c2ccccc2n(C[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)c2ccccc12	ZINC000004017939	569458218	/nfs/dbraw/zinc/45/82/18/569458218.db2.gz	QGLBRIJXYZJINR-RUZDIDTESA-N	0	1	448.566	5.218	50	5		IKBAMN
CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc21	ZINC000004149955	569460414	/nfs/dbraw/zinc/46/04/14/569460414.db2.gz	BSMHEUINKZPDFG-UHFFFAOYSA-N	0	1	438.461	5.114	50	5		IKBAMN
O=C1c2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000008464924	569465325	/nfs/dbraw/zinc/46/53/25/569465325.db2.gz	BJTIMIFZMILELG-UHFFFAOYSA-N	0	1	443.462	6.530	50	5		IKBAMN
O=[N+]([O-])c1ccc(-c2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2-c2nc3ccccc3[nH]2)cc1	ZINC000009126772	569505062	/nfs/dbraw/zinc/50/50/62/569505062.db2.gz	LINQCULNVQCGLY-UHFFFAOYSA-N	0	1	426.392	5.103	50	5		IKBAMN
O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Oc4ccccc4)c3)[nH]c2-c2ccccc2)c1	ZINC000009354956	569525198	/nfs/dbraw/zinc/52/51/98/569525198.db2.gz	NNQSIFWVFDSHHT-UHFFFAOYSA-N	0	1	433.467	7.111	50	5		IKBAMN
CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000009959484	569575147	/nfs/dbraw/zinc/57/51/47/569575147.db2.gz	NLWUFWYVNDPDMV-UHFFFAOYSA-N	0	1	435.528	5.154	50	5		IKBAMN