smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000000947843	553879870	/nfs/dbraw/zinc/87/98/70/553879870.db2.gz	WKHOVZKMJQYSHR-UHFFFAOYSA-N	0	1	472.482	3.789	50	5		JHBAMN
Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1	ZINC000002462778	554223549	/nfs/dbraw/zinc/22/35/49/554223549.db2.gz	CTLIOERLXMERNM-OALUTQOASA-N	0	1	451.435	3.857	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)cc1F	ZINC000002462761	554223556	/nfs/dbraw/zinc/22/35/56/554223556.db2.gz	MNUZPLQYJVXKIL-RBUKOAKNSA-N	0	1	451.435	3.857	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccs2)cc1F	ZINC000002462790	554223609	/nfs/dbraw/zinc/22/36/09/554223609.db2.gz	HEFMLRZWPGSMRR-RTBURBONSA-N	0	1	451.435	3.857	50	5		JHBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	ZINC000002864316	554390513	/nfs/dbraw/zinc/39/05/13/554390513.db2.gz	FCCGCAMEACEBNN-UHFFFAOYSA-N	0	1	461.521	3.813	50	5		JHBAMN
NS(=O)(=O)c1ccc(Nc2c(C(=O)Nc3ccc(Cl)cc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000008809823	554688940	/nfs/dbraw/zinc/68/89/40/554688940.db2.gz	RWUBWYRSXXAWKI-UHFFFAOYSA-N	0	1	491.869	3.800	50	5		JHBAMN
Cc1cc(Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])ccc1N1CCN(C)CC1	ZINC000009471162	555254620	/nfs/dbraw/zinc/25/46/20/555254620.db2.gz	DVVSYRZAFRGXTJ-UHFFFAOYSA-N	0	1	487.626	3.819	50	5		JHBAMN
COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc21	ZINC000009604170	555430661	/nfs/dbraw/zinc/43/06/61/555430661.db2.gz	PXGQUOPTDAPQSY-DHZHZOJOSA-N	0	1	456.524	3.830	50	5		JHBAMN
Cc1nn(Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)c(C)c3)cc2)c(C)c1[N+](=O)[O-]	ZINC000024576579	556136800	/nfs/dbraw/zinc/13/68/00/556136800.db2.gz	PZTAMGNXATVUSN-UHFFFAOYSA-N	0	1	462.554	3.769	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000017917250	556271427	/nfs/dbraw/zinc/27/14/27/556271427.db2.gz	URRNKCCGLYISGN-ZLNRFVROSA-N	0	1	493.447	3.802	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000017971334	556273836	/nfs/dbraw/zinc/27/38/36/556273836.db2.gz	CEFWHDCPWNQIKV-ZRBLBEILSA-N	0	1	475.457	3.663	50	5		JHBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000027522965	556287353	/nfs/dbraw/zinc/28/73/53/556287353.db2.gz	DHSZVDNNSZRBPK-DHIUTWEWSA-N	0	1	487.468	3.755	50	5		JHBAMN
COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000034681826	569643515	/nfs/dbraw/zinc/64/35/15/569643515.db2.gz	OUWHKNMCPOTIHF-UHFFFAOYSA-N	0	1	461.522	3.963	50	5		JHBAMN
COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccc([N+](=O)[O-])cc4)CC3)nc2)c1	ZINC000034681796	569643532	/nfs/dbraw/zinc/64/35/32/569643532.db2.gz	SGTLMCRIQWNFLG-UHFFFAOYSA-N	0	1	461.522	3.963	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102748662	569820388	/nfs/dbraw/zinc/82/03/88/569820388.db2.gz	CEFWHDCPWNQIKV-DNVJHFABSA-N	0	1	475.457	3.663	50	5		JHBAMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000245325581	570064314	/nfs/dbraw/zinc/06/43/14/570064314.db2.gz	FWTKOEFFKWYWBX-TUUZDCGNSA-N	0	1	494.504	3.642	50	5		JHBAMN
Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1	ZINC000245328171	570065698	/nfs/dbraw/zinc/06/56/98/570065698.db2.gz	SQORGOSFASGLRC-WIISBVOASA-N	0	1	478.505	3.860	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c(OC)c1	ZINC000001131561	194039644	/nfs/dbraw/zinc/03/96/44/194039644.db2.gz	WRTIPZSVIHELLD-UHFFFAOYSA-N	0	1	471.491	3.594	50	5		JHBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004787095	520506836	/nfs/dbraw/zinc/50/68/36/520506836.db2.gz	ZMCWBVQGWBLCKV-GOSISDBHSA-N	0	1	452.496	3.726	50	5		JHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1	ZINC000016384212	527394986	/nfs/dbraw/zinc/39/49/86/527394986.db2.gz	OJKCPXGJUGXFPJ-UHFFFAOYSA-N	0	1	467.912	3.850	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434011	555204689	/nfs/dbraw/zinc/20/46/89/555204689.db2.gz	OXRUBTNLKHVWQU-AVRDEDQJSA-N	0	1	456.886	3.679	50	5		JHBAMN
O=[N+]([O-])c1ccc(NNC(=S)NCc2ccco2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000009493040	555274128	/nfs/dbraw/zinc/27/41/28/555274128.db2.gz	AXPVWXFPDUWRNF-UHFFFAOYSA-N	0	1	481.943	3.633	50	5		JHBAMN
COc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4[N+](=O)[O-])CC3)nc2)c1	ZINC000034681797	569643467	/nfs/dbraw/zinc/64/34/67/569643467.db2.gz	NXBLVGRICPXIBJ-UHFFFAOYSA-N	0	1	461.522	3.963	50	5		JHBAMN
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000001145156	194047012	/nfs/dbraw/zinc/04/70/12/194047012.db2.gz	LOKSIZFSZZOETP-UHFFFAOYSA-N	0	1	457.464	3.665	50	5		JHBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1c1ccccc1	ZINC000009187169	194583550	/nfs/dbraw/zinc/58/35/50/194583550.db2.gz	XLJRKLBIWWKJAI-OFVILXPXSA-N	0	1	474.448	3.737	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2Cl)cc1	ZINC000009086978	554889291	/nfs/dbraw/zinc/88/92/91/554889291.db2.gz	ADEKSKFDIWCGLY-UHFFFAOYSA-N	0	1	451.844	3.903	50	5		JHBAMN
C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1	ZINC000020155059	555674872	/nfs/dbraw/zinc/67/48/72/555674872.db2.gz	ZTGVKTVXUKUZRJ-INIZCTEOSA-N	0	1	476.489	3.908	50	5		JHBAMN
CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186303	555727601	/nfs/dbraw/zinc/72/76/01/555727601.db2.gz	OEEJMAFGZLMMAD-UHFFFAOYSA-N	0	1	491.547	3.904	50	5		JHBAMN
Cc1nn(CCc2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)c(C)c1[N+](=O)[O-]	ZINC000020294281	555762950	/nfs/dbraw/zinc/76/29/50/555762950.db2.gz	APRWTLLTNJJNID-UHFFFAOYSA-N	0	1	470.342	3.807	50	5		JHBAMN
Cc1nn(CCc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n[nH]2)c(C)c1[N+](=O)[O-]	ZINC000020294281	555762953	/nfs/dbraw/zinc/76/29/53/555762953.db2.gz	APRWTLLTNJJNID-UHFFFAOYSA-N	0	1	470.342	3.807	50	5		JHBAMN
COc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4[N+](=O)[O-])CC3)nc2)cc1	ZINC000034681692	569643582	/nfs/dbraw/zinc/64/35/82/569643582.db2.gz	IWEWKPCKNYOPNB-UHFFFAOYSA-N	0	1	461.522	3.963	50	5		JHBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677769	569868889	/nfs/dbraw/zinc/86/88/89/569868889.db2.gz	VQUZJPOQIZJRFT-GGAORHGYSA-N	0	1	456.974	3.884	50	5		JHBAMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000245327722	570065314	/nfs/dbraw/zinc/06/53/14/570065314.db2.gz	PSGOFQVCFAYQCT-UWRRCVPVSA-N	0	1	478.505	3.805	50	5		JHBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C([N+](=O)[O-])[C@H]3C=CC=NN32)cc1	ZINC000253487749	570099879	/nfs/dbraw/zinc/09/98/79/570099879.db2.gz	PKBKFBIRMARUGK-ZRNYENFQSA-N	0	1	456.296	3.678	50	5		JHBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000004787073	520506921	/nfs/dbraw/zinc/50/69/21/520506921.db2.gz	APUFHLIDNGJDHV-GOSISDBHSA-N	0	1	452.496	3.726	50	5		JHBAMN
O=[N+]([O-])c1cccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)COc3ccccc3)n2)c1	ZINC000036147682	527383423	/nfs/dbraw/zinc/38/34/23/527383423.db2.gz	ABMSLPJAOXDENC-FQEVSTJZSA-N	0	1	464.478	3.722	50	5		JHBAMN
COc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1OC	ZINC000009108758	554897538	/nfs/dbraw/zinc/89/75/38/554897538.db2.gz	IMJPFIJTYZVGRB-RMKNXTFCSA-N	0	1	455.496	3.940	50	5		JHBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1c1ccccc1	ZINC000009187845	554960420	/nfs/dbraw/zinc/96/04/20/554960420.db2.gz	XLJRKLBIWWKJAI-SQJMNOBHSA-N	0	1	474.448	3.737	50	5		JHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	ZINC000009714720	555444676	/nfs/dbraw/zinc/44/46/76/555444676.db2.gz	MARVOMBAIDGCFR-UHFFFAOYSA-N	0	1	457.464	3.665	50	5		JHBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCC4)nc3)cc2)cc1[N+](=O)[O-]	ZINC000009977862	555580701	/nfs/dbraw/zinc/58/07/01/555580701.db2.gz	NSUPNQKWOYKCKH-UHFFFAOYSA-N	0	1	481.534	3.952	50	5		JHBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C([N+](=O)[O-])[C@@H]3C=CC=NN32)cc1	ZINC000016038459	556120626	/nfs/dbraw/zinc/12/06/26/556120626.db2.gz	PKBKFBIRMARUGK-YRPNKDGESA-N	0	1	456.296	3.678	50	5		JHBAMN
O=C(c1[nH]nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2)N1CCC(Cc2ccccc2)CC1	ZINC000034809825	569661305	/nfs/dbraw/zinc/66/13/05/569661305.db2.gz	RTTDWRALJZVQHU-UHFFFAOYSA-N	0	1	473.533	3.611	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000143602951	569867599	/nfs/dbraw/zinc/86/75/99/569867599.db2.gz	IIKLQEGSDUZIGC-RBZQAINGSA-N	0	1	489.484	3.972	50	5		JHBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229904137	570042128	/nfs/dbraw/zinc/04/21/28/570042128.db2.gz	MZWGTVWFVAWHQR-NBGIEHNGSA-N	0	1	462.506	3.704	50	5		JHBAMN
CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OC)cc1[N+](=O)[O-]	ZINC000001105797	194025647	/nfs/dbraw/zinc/02/56/47/194025647.db2.gz	CXIGKBZHAOPYRS-JOCHJYFZSA-N	0	1	477.477	3.647	50	5		JHBAMN
CCOc1ccc(Nc2nc(NC[C@@H](c3ccccc3OC)N(C)C)nc(N)c2[N+](=O)[O-])cc1	ZINC000035681945	521140401	/nfs/dbraw/zinc/14/04/01/521140401.db2.gz	NNQVRDZVVGNVHO-SFHVURJKSA-N	0	1	467.530	3.833	50	5		JHBAMN
CCCCN(CCCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002830857	554368176	/nfs/dbraw/zinc/36/81/76/554368176.db2.gz	UIWDKVXMHKGNAM-UHFFFAOYSA-N	0	1	469.585	3.987	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1	ZINC000009662887	555370094	/nfs/dbraw/zinc/37/00/94/555370094.db2.gz	DYOXCKGIGMXWNR-UHFFFAOYSA-N	0	1	463.493	3.727	50	5		JHBAMN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNCc2ccc(F)cc2)c(OC)c1	ZINC000020155130	555675093	/nfs/dbraw/zinc/67/50/93/555675093.db2.gz	YUMYSOPFBNDJQK-UHFFFAOYSA-N	0	1	482.468	3.732	50	5		JHBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000027522971	556287406	/nfs/dbraw/zinc/28/74/06/556287406.db2.gz	DHSZVDNNSZRBPK-GOTSBHOMSA-N	0	1	487.468	3.755	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527484	556288140	/nfs/dbraw/zinc/28/81/40/556288140.db2.gz	AQHKTGCHTABXCG-ZWKOTPCHSA-N	0	1	498.860	3.971	50	5		JHBAMN
C[C@H]1CN(CCCNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000032899481	556527389	/nfs/dbraw/zinc/52/73/89/556527389.db2.gz	KXGLMEUZIPFLBY-HOTGVXAUSA-N	0	1	482.990	3.960	50	5		JHBAMN
CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)CC1	ZINC000055554920	569592125	/nfs/dbraw/zinc/59/21/25/569592125.db2.gz	DSIRTLAWCBJSBG-UHFFFAOYSA-N	0	1	465.598	3.612	50	5		JHBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@H]1c1ccccc1	ZINC000102782435	569823815	/nfs/dbraw/zinc/82/38/15/569823815.db2.gz	XLJRKLBIWWKJAI-PXDATVDWSA-N	0	1	474.448	3.737	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c(C)c1	ZINC000230025513	570043784	/nfs/dbraw/zinc/04/37/84/570043784.db2.gz	QQAAUDGWJCCDAB-SQJMNOBHSA-N	0	1	462.506	3.991	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245326516	570064726	/nfs/dbraw/zinc/06/47/26/570064726.db2.gz	LCICRFYDKGVTOL-WIISBVOASA-N	0	1	478.505	3.860	50	5		JHBAMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000009295948	520634233	/nfs/dbraw/zinc/63/42/33/520634233.db2.gz	WKAZWGCXKHLIBE-SXGWCWSVSA-N	0	1	461.427	3.513	50	5		JHBAMN
O=[N+]([O-])c1cccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)c1	ZINC000036147678	527383500	/nfs/dbraw/zinc/38/35/00/527383500.db2.gz	ABMSLPJAOXDENC-HXUWFJFHSA-N	0	1	464.478	3.722	50	5		JHBAMN
Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1	ZINC000009097260	554896011	/nfs/dbraw/zinc/89/60/11/554896011.db2.gz	XXLNGMWIRZODCG-UHFFFAOYSA-N	0	1	491.323	3.993	50	5		JHBAMN
CCS(=O)(=O)c1cccc(C(=O)N(CCCN(C)C)c2nc3ccc([N+](=O)[O-])cc3s2)c1	ZINC000009707947	555432060	/nfs/dbraw/zinc/43/20/60/555432060.db2.gz	LMECNYMVXVCEFI-UHFFFAOYSA-N	0	1	476.580	3.597	50	5		JHBAMN
C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1	ZINC000020155055	555674917	/nfs/dbraw/zinc/67/49/17/555674917.db2.gz	ZTGVKTVXUKUZRJ-MRXNPFEDSA-N	0	1	476.489	3.908	50	5		JHBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000014186294	555727641	/nfs/dbraw/zinc/72/76/41/555727641.db2.gz	SHDMBAUTSPQSBH-UHFFFAOYSA-N	0	1	461.521	3.813	50	5		JHBAMN
Cc1sc2nc3c4ccccc4c(NC[C@@H]4CN(CC(C)C)CCO4)nn3c(=O)c2c1C	ZINC000023881649	556098134	/nfs/dbraw/zinc/09/81/34/556098134.db2.gz	DREUVVIXTRXGQP-QGZVFWFLSA-N	0	1	451.596	3.843	50	5		JHBAMN
C[C@@H]1CN(CCCNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000032899479	556527368	/nfs/dbraw/zinc/52/73/68/556527368.db2.gz	KXGLMEUZIPFLBY-HZPDHXFCSA-N	0	1	482.990	3.960	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101098111	569782451	/nfs/dbraw/zinc/78/24/51/569782451.db2.gz	HTCXICINKGOFAI-VXNXHJTFSA-N	0	1	489.484	3.972	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102750900	569820886	/nfs/dbraw/zinc/82/08/86/569820886.db2.gz	FDRVSJNOHWSSMY-DNVJHFABSA-N	0	1	493.447	3.802	50	5		JHBAMN
O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169677779	569868875	/nfs/dbraw/zinc/86/88/75/569868875.db2.gz	QHKGQXMNXMHBNF-VPUSJEBWSA-N	0	1	488.563	3.956	50	5		JHBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000009933523	195025302	/nfs/dbraw/zinc/02/53/02/195025302.db2.gz	RNCGOVNUHRFTPE-UHFFFAOYSA-N	0	1	452.433	3.773	50	5		JHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1	ZINC000002864335	554390494	/nfs/dbraw/zinc/39/04/94/554390494.db2.gz	FYWZZOVHXRUXAU-UHFFFAOYSA-N	0	1	467.912	3.850	50	5		JHBAMN
O=C1NC(=S)N(c2ccccc2Cl)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009252825	555027982	/nfs/dbraw/zinc/02/79/82/555027982.db2.gz	SGHRLOKZQMRVFJ-XXBNENTESA-N	0	1	484.965	3.988	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434012	555204686	/nfs/dbraw/zinc/20/46/86/555204686.db2.gz	OXRUBTNLKHVWQU-XMSQKQJNSA-N	0	1	456.886	3.679	50	5		JHBAMN
COc1ccc(CNCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(OC)cc(OC)c2)cc1	ZINC000020155022	555674980	/nfs/dbraw/zinc/67/49/80/555674980.db2.gz	WHNHSGHKNLAUFI-UHFFFAOYSA-N	0	1	494.504	3.601	50	5		JHBAMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000012363362	555958932	/nfs/dbraw/zinc/95/89/32/555958932.db2.gz	PXDFGROAPVQEFD-UHFFFAOYSA-N	0	1	460.918	3.819	50	5		JHBAMN
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000057222904	569594711	/nfs/dbraw/zinc/59/47/11/569594711.db2.gz	SPLSEGUEGQBVDE-UHFFFAOYSA-N	0	1	478.505	3.939	50	5		JHBAMN
O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000065329803	569674918	/nfs/dbraw/zinc/67/49/18/569674918.db2.gz	YSTHGGLGJLTCHP-UHFFFAOYSA-N	0	1	461.434	3.544	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101137483	569784293	/nfs/dbraw/zinc/78/42/93/569784293.db2.gz	FDRVSJNOHWSSMY-ZRBLBEILSA-N	0	1	493.447	3.802	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102738669	569818905	/nfs/dbraw/zinc/81/89/05/569818905.db2.gz	IIKLQEGSDUZIGC-WXFUMESZSA-N	0	1	489.484	3.972	50	5		JHBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681843	569870848	/nfs/dbraw/zinc/87/08/48/569870848.db2.gz	BKYBYWAMZMEHIU-UPVQGACJSA-N	0	1	454.546	3.759	50	5		JHBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c1	ZINC000003015244	194207368	/nfs/dbraw/zinc/20/73/68/194207368.db2.gz	VRNHFAPVRKFEOI-UHFFFAOYSA-N	0	1	497.348	3.991	50	5		JHBAMN
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1[N+](=O)[O-]	ZINC000009908171	195019188	/nfs/dbraw/zinc/01/91/88/195019188.db2.gz	GBLXKPWCHMLUPW-UHFFFAOYSA-N	0	1	450.274	3.579	50	5		JHBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1	ZINC000012691585	195088771	/nfs/dbraw/zinc/08/87/71/195088771.db2.gz	BZUSHFLZTIKQDD-UHFFFAOYSA-N	0	1	487.515	3.633	50	5		JHBAMN
CCOc1cc(C2C(C(=O)OC)=CN(c3ccc(F)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000016247595	520689738	/nfs/dbraw/zinc/68/97/38/520689738.db2.gz	MJRSWTFJLMBZRO-UHFFFAOYSA-N	0	1	472.425	3.556	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccs2)cc1F	ZINC000002462785	554223554	/nfs/dbraw/zinc/22/35/54/554223554.db2.gz	HEFMLRZWPGSMRR-RBUKOAKNSA-N	0	1	451.435	3.857	50	5		JHBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	ZINC000002767519	554334417	/nfs/dbraw/zinc/33/44/17/554334417.db2.gz	BOUILESHZWEACK-UHFFFAOYSA-N	0	1	495.473	3.610	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1	ZINC000027527341	556287369	/nfs/dbraw/zinc/28/73/69/556287369.db2.gz	APCJVUIXYYUCHB-NHCUHLMSSA-N	0	1	491.843	3.730	50	5		JHBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000057222823	569594709	/nfs/dbraw/zinc/59/47/09/569594709.db2.gz	LIPAZFFYNVSOCV-UHFFFAOYSA-N	0	1	474.517	3.956	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137608269	569865037	/nfs/dbraw/zinc/86/50/37/569865037.db2.gz	URRNKCCGLYISGN-YTFSRNRJSA-N	0	1	493.447	3.802	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000245326985	570065067	/nfs/dbraw/zinc/06/50/67/570065067.db2.gz	NLJFZWILDCTVKR-DFMDOGHASA-N	0	1	464.478	3.551	50	5		JHBAMN
Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000002913563	525894720	/nfs/dbraw/zinc/89/47/20/525894720.db2.gz	UAIMYJNFYCKVFC-UHFFFAOYSA-N	0	1	455.883	3.954	50	5		JHBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C([N+](=O)[O-])[C@H]3C=CC=NN32)cc1	ZINC000009043376	554869807	/nfs/dbraw/zinc/86/98/07/554869807.db2.gz	PKBKFBIRMARUGK-WTGUMLROSA-N	0	1	456.296	3.678	50	5		JHBAMN
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C	ZINC000009631154	555459906	/nfs/dbraw/zinc/45/99/06/555459906.db2.gz	VQGPKGSCJJRULI-UHFFFAOYSA-N	0	1	483.502	3.924	50	5		JHBAMN
COc1ccccc1[C@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC1	ZINC000068734297	569691883	/nfs/dbraw/zinc/69/18/83/569691883.db2.gz	QJMDEGUOGABUFI-NRFANRHFSA-N	0	1	482.537	3.635	50	5		JHBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(C)c1	ZINC000003612261	194340692	/nfs/dbraw/zinc/34/06/92/194340692.db2.gz	SDQIJTRARQQKMC-UHFFFAOYSA-N	0	1	461.521	3.813	50	5		JHBAMN
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1[N+](=O)[O-]	ZINC000006088813	525929166	/nfs/dbraw/zinc/92/91/66/525929166.db2.gz	LEUYBUSOQDDGMD-UHFFFAOYSA-N	0	1	453.436	3.927	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O	ZINC000009128842	554926202	/nfs/dbraw/zinc/92/62/02/554926202.db2.gz	KJUUQEADKHGSHK-PGRDOPGGSA-N	0	1	456.886	3.679	50	5		JHBAMN
O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1cccc([N+](=O)[O-])c1	ZINC000009235829	555009659	/nfs/dbraw/zinc/00/96/59/555009659.db2.gz	ODCUPPKYNFDCDB-UHFFFAOYSA-N	0	1	450.274	3.579	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)cc1	ZINC000009444205	555217084	/nfs/dbraw/zinc/21/70/84/555217084.db2.gz	WQGZAEGZXSEPQI-UHFFFAOYSA-N	0	1	477.520	3.513	50	5		JHBAMN
CCOC(=O)C1=CN(c2cccc(F)c2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000013080721	556278388	/nfs/dbraw/zinc/27/83/88/556278388.db2.gz	LDGNVSYTILRGDO-UHFFFAOYSA-N	0	1	486.452	3.946	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018143130	556293691	/nfs/dbraw/zinc/29/36/91/556293691.db2.gz	IIKLQEGSDUZIGC-VXNXHJTFSA-N	0	1	489.484	3.972	50	5		JHBAMN
O=C(NCCc1cccs1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000169678869	569869325	/nfs/dbraw/zinc/86/93/25/569869325.db2.gz	DTPBLVIVJKMDQV-NOZRDPDXSA-N	0	1	476.602	3.878	50	5		JHBAMN
O=C(NCCc1cccs1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169678869	569869326	/nfs/dbraw/zinc/86/93/26/569869326.db2.gz	DTPBLVIVJKMDQV-NOZRDPDXSA-N	0	1	476.602	3.878	50	5		JHBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328571	570065928	/nfs/dbraw/zinc/06/59/28/570065928.db2.gz	VIIUZRFDNPKPBJ-IYSALDKVSA-N	0	1	468.897	3.883	50	5		JHBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527448	527105557	/nfs/dbraw/zinc/10/55/57/527105557.db2.gz	QUXGWSZOIMBBJI-MSOLQXFVSA-N	0	1	498.860	3.971	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc(F)cc2)cc1F	ZINC000002462803	554223922	/nfs/dbraw/zinc/22/39/22/554223922.db2.gz	NRQHWIVQEWKYHJ-SFTDATJTSA-N	0	1	463.396	3.934	50	5		JHBAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000009335222	555102758	/nfs/dbraw/zinc/10/27/58/555102758.db2.gz	RRGXWFJIMHCPCL-UHFFFAOYSA-N	0	1	472.450	3.883	50	5		JHBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1	ZINC000009354544	555118765	/nfs/dbraw/zinc/11/87/65/555118765.db2.gz	QCPVSWUCKSHSEQ-UHFFFAOYSA-N	0	1	461.887	3.708	50	5		JHBAMN
O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000018179905	556299075	/nfs/dbraw/zinc/29/90/75/556299075.db2.gz	RFVQKEGBQKRWBU-DEOSSOPVSA-N	0	1	470.529	3.634	50	5		JHBAMN
O=C(Cc1cccs1)Nc1ccc(N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000034681833	569643622	/nfs/dbraw/zinc/64/36/22/569643622.db2.gz	LBSVYSOFEYMEBY-UHFFFAOYSA-N	0	1	451.552	3.945	50	5		JHBAMN
COc1c2c(c(Br)c3c1C[N@+](C)(Cc1cc(=O)oc4cc([O-])ccc14)CC3)OCO2	ZINC000824528211	717191754	/nfs/dbraw/zinc/19/17/54/717191754.db2.gz	LRDVDYNNCSLNAR-DEOSSOPVSA-O	0	1	475.315	3.701	50	5		JHBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3cc(Cl)c4nonc4c3[N+](=O)[O-])cc2)n1	ZINC000016309596	524591280	/nfs/dbraw/zinc/59/12/80/524591280.db2.gz	FBFOYMPIBJLTAS-UHFFFAOYSA-N	0	1	475.874	3.736	50	5		JHBAMN
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000016312549	525302854	/nfs/dbraw/zinc/30/28/54/525302854.db2.gz	APKTZBRTOMJCSE-UHFFFAOYSA-N	0	1	461.521	3.813	50	5		JHBAMN
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002866467	554392048	/nfs/dbraw/zinc/39/20/48/554392048.db2.gz	GJHLVYIORZUGGV-UHFFFAOYSA-N	0	1	461.521	3.813	50	5		JHBAMN
O=C(NCC1(c2ccccc2)CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014094407	555686867	/nfs/dbraw/zinc/68/68/67/555686867.db2.gz	VGXIKCOAONHFAZ-UHFFFAOYSA-N	0	1	451.504	3.857	50	5		JHBAMN
Cc1sc2nc3c4ccccc4c(NC[C@H]4CN(CC(C)C)CCO4)nn3c(=O)c2c1C	ZINC000023881645	556098156	/nfs/dbraw/zinc/09/81/56/556098156.db2.gz	DREUVVIXTRXGQP-KRWDZBQOSA-N	0	1	451.596	3.843	50	5		JHBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1	ZINC000089651340	569719434	/nfs/dbraw/zinc/71/94/34/569719434.db2.gz	WPLSICRTVPJQAM-UHFFFAOYSA-N	0	1	461.521	3.529	50	5		JHBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894712	569723023	/nfs/dbraw/zinc/72/30/23/569723023.db2.gz	VQUZJPOQIZJRFT-JTHBVZDNSA-N	0	1	456.974	3.884	50	5		JHBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000102782795	569823843	/nfs/dbraw/zinc/82/38/43/569823843.db2.gz	SZIZUGUDGRYZFG-BKMJKUGQSA-N	0	1	470.485	3.906	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137858464	569865412	/nfs/dbraw/zinc/86/54/12/569865412.db2.gz	LVEVNSILPXFQHJ-RBZQAINGSA-N	0	1	489.484	3.972	50	5		JHBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000001769950	194135911	/nfs/dbraw/zinc/13/59/11/194135911.db2.gz	BQFCRZZSQUMLRS-WEVVVXLNSA-N	0	1	459.509	3.516	50	5	in-vitro	JHBAMN
CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1O	ZINC000016382752	520776838	/nfs/dbraw/zinc/77/68/38/520776838.db2.gz	PANWWAGZVHBYBC-KRWDZBQOSA-N	0	1	462.915	3.784	50	5		JHBAMN
Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1cccs1	ZINC000002462776	554223590	/nfs/dbraw/zinc/22/35/90/554223590.db2.gz	CTLIOERLXMERNM-RBUKOAKNSA-N	0	1	451.435	3.857	50	5		JHBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009111413	554898836	/nfs/dbraw/zinc/89/88/36/554898836.db2.gz	DQTVRLLVHDPTFZ-SQJMNOBHSA-N	0	1	456.458	3.598	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O	ZINC000009130784	554930882	/nfs/dbraw/zinc/93/08/82/554930882.db2.gz	KJUUQEADKHGSHK-GCJKJVERSA-N	0	1	456.886	3.679	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434010	555204661	/nfs/dbraw/zinc/20/46/61/555204661.db2.gz	OXRUBTNLKHVWQU-GCJKJVERSA-N	0	1	456.886	3.679	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(Cl)cc1)C2=O	ZINC000009434013	555204693	/nfs/dbraw/zinc/20/46/93/555204693.db2.gz	OXRUBTNLKHVWQU-PGRDOPGGSA-N	0	1	456.886	3.679	50	5		JHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1	ZINC000009708673	555433603	/nfs/dbraw/zinc/43/36/03/555433603.db2.gz	SRVREXCKVAGQPO-UHFFFAOYSA-N	0	1	479.561	3.599	50	5		JHBAMN
COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@H]3C(C)C)C2=O)cc1	ZINC000012401450	555975694	/nfs/dbraw/zinc/97/56/94/555975694.db2.gz	RZBDQFIMCYYPGM-BKMJKUGQSA-N	0	1	494.548	3.916	50	5		JHBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000017358038	556259713	/nfs/dbraw/zinc/25/97/13/556259713.db2.gz	NSDLTAAISIZWAQ-UHFFFAOYSA-N	0	1	494.573	3.662	50	5		JHBAMN
COc1ccc(OC)c([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(F)cc2)c1	ZINC000027527659	556289354	/nfs/dbraw/zinc/28/93/54/556289354.db2.gz	SEZRVRFFBVATCE-VXKWHMMOSA-N	0	1	491.431	3.504	50	5		JHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000102743877	569819474	/nfs/dbraw/zinc/81/94/74/569819474.db2.gz	LYPNGYSKAYHGLJ-YPAWHYETSA-N	0	1	463.421	3.794	50	5		JHBAMN
O=C(NCCc1cccs1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000106606443	569854433	/nfs/dbraw/zinc/85/44/33/569854433.db2.gz	DTPBLVIVJKMDQV-UKILVPOCSA-N	0	1	476.602	3.878	50	5		JHBAMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000245327720	570065294	/nfs/dbraw/zinc/06/52/94/570065294.db2.gz	PSGOFQVCFAYQCT-TUUZDCGNSA-N	0	1	478.505	3.805	50	5		JHBAMN
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	ZINC000003339156	194289303	/nfs/dbraw/zinc/28/93/03/194289303.db2.gz	VPDFTDDXHZBWDW-UHFFFAOYSA-N	0	1	458.423	3.574	50	5		JHBAMN
O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003381864	194309947	/nfs/dbraw/zinc/30/99/47/194309947.db2.gz	TVMLZSBANPJASQ-UHFFFAOYSA-N	0	1	462.336	3.987	50	5		JHBAMN
O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000096299674	130053111	/nfs/dbraw/zinc/05/31/11/130053111.db2.gz	RFVQKEGBQKRWBU-XMMPIXPASA-N	0	1	470.529	3.634	50	5		JHBAMN
CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000016391689	521133442	/nfs/dbraw/zinc/13/34/42/521133442.db2.gz	LVZAYYCWDKCWCP-UHFFFAOYSA-N	0	1	477.520	3.595	50	5		JHBAMN
COC(=O)C1=CN(c2ccc(F)c(Cl)c2)C=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016294253	522900499	/nfs/dbraw/zinc/90/04/99/522900499.db2.gz	USLUWKVTVLYDLQ-UHFFFAOYSA-N	0	1	492.843	3.819	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1	ZINC000027527343	527104969	/nfs/dbraw/zinc/10/49/69/527104969.db2.gz	APCJVUIXYYUCHB-RTWAWAEBSA-N	0	1	491.843	3.730	50	5		JHBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000009242724	555017413	/nfs/dbraw/zinc/01/74/13/555017413.db2.gz	VIIUZRFDNPKPBJ-DEWVYBRMSA-N	0	1	468.897	3.679	50	5		JHBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1	ZINC000009707396	555430297	/nfs/dbraw/zinc/43/02/97/555430297.db2.gz	VAJTXIUVFUCBOP-UHFFFAOYSA-N	0	1	450.476	3.712	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O	ZINC000013591327	555525827	/nfs/dbraw/zinc/52/58/27/555525827.db2.gz	NADLGOPYIYUZPN-AVRDEDQJSA-N	0	1	456.886	3.679	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000013777732	555617155	/nfs/dbraw/zinc/61/71/55/555617155.db2.gz	LVEVNSILPXFQHJ-VXNXHJTFSA-N	0	1	489.484	3.972	50	5		JHBAMN
CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000010898770	555745813	/nfs/dbraw/zinc/74/58/13/555745813.db2.gz	CXFLQEIHCPOPEM-UHFFFAOYSA-N	0	1	491.529	3.854	50	5		JHBAMN
CC1CCC(NS(=O)(=O)c2ccc(Sc3nc(-c4ccncc4)n[nH]3)c([N+](=O)[O-])c2)CC1	ZINC000012926658	556144927	/nfs/dbraw/zinc/14/49/27/556144927.db2.gz	HBKMPZJDVVICKS-UHFFFAOYSA-N	0	1	474.568	3.783	50	5		JHBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527445	556287838	/nfs/dbraw/zinc/28/78/38/556287838.db2.gz	QUXGWSZOIMBBJI-ZWKOTPCHSA-N	0	1	498.860	3.971	50	5		JHBAMN
C[C@@H]1CN(CCCNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000032899480	556527399	/nfs/dbraw/zinc/52/73/99/556527399.db2.gz	KXGLMEUZIPFLBY-IYBDPMFKSA-N	0	1	482.990	3.960	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1C	ZINC000245329181	570066176	/nfs/dbraw/zinc/06/61/76/570066176.db2.gz	YCCGVXCMFMUAAV-KIQGRPGXSA-N	0	1	478.505	3.860	50	5		JHBAMN
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1	ZINC000006088935	526083119	/nfs/dbraw/zinc/08/31/19/526083119.db2.gz	GHSNPFVQQKAHDL-UHFFFAOYSA-N	0	1	456.436	3.865	50	5		JHBAMN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNCc2ccc(F)cc2)cc1	ZINC000020155134	555675294	/nfs/dbraw/zinc/67/52/94/555675294.db2.gz	FPGYMHCXZFIAJB-UHFFFAOYSA-N	0	1	494.479	3.891	50	5		JHBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527447	556287727	/nfs/dbraw/zinc/28/77/27/556287727.db2.gz	QUXGWSZOIMBBJI-ROUUACIJSA-N	0	1	498.860	3.971	50	5		JHBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000057238689	569594891	/nfs/dbraw/zinc/59/48/91/569594891.db2.gz	NHCVAPFYTFZFSR-UHFFFAOYSA-N	0	1	464.478	3.549	50	5		JHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	ZINC000089644460	569719449	/nfs/dbraw/zinc/71/94/49/569719449.db2.gz	TVTPGELKMBEWRF-UHFFFAOYSA-N	0	1	499.501	3.508	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101095678	569782357	/nfs/dbraw/zinc/78/23/57/569782357.db2.gz	IIKLQEGSDUZIGC-SMIHKQSGSA-N	0	1	489.484	3.972	50	5		JHBAMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000245325582	570064317	/nfs/dbraw/zinc/06/43/17/570064317.db2.gz	FWTKOEFFKWYWBX-UWRRCVPVSA-N	0	1	494.504	3.642	50	5		JHBAMN
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)c1	ZINC000016096202	524645212	/nfs/dbraw/zinc/64/52/12/524645212.db2.gz	PISNZLCALLIEBU-UHFFFAOYSA-N	0	1	471.491	3.974	50	5		JHBAMN
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1[N+](=O)[O-]	ZINC000006088812	525928833	/nfs/dbraw/zinc/92/88/33/525928833.db2.gz	QEUARXDGANAEAU-UHFFFAOYSA-N	0	1	453.436	3.927	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)cc1F	ZINC000002462766	554223547	/nfs/dbraw/zinc/22/35/47/554223547.db2.gz	MNUZPLQYJVXKIL-MOPGFXCFSA-N	0	1	451.435	3.857	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O	ZINC000009130785	554930916	/nfs/dbraw/zinc/93/09/16/554930916.db2.gz	KJUUQEADKHGSHK-AVRDEDQJSA-N	0	1	456.886	3.679	50	5		JHBAMN
CCN1CCN(Cc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C(C)C)CC1	ZINC000020608863	195182348	/nfs/dbraw/zinc/18/23/48/195182348.db2.gz	ZLBPOLNZLFWJIQ-UHFFFAOYSA-N	0	1	480.569	3.680	50	5		JHBAMN
CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020678024	195203091	/nfs/dbraw/zinc/20/30/91/195203091.db2.gz	WIGPAEVYLQOFBK-UHFFFAOYSA-N	0	1	450.543	3.744	50	5		JHBAMN
CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2Cl)cc([N+](=O)[O-])c1O	ZINC000016382756	520785300	/nfs/dbraw/zinc/78/53/00/520785300.db2.gz	PANWWAGZVHBYBC-QGZVFWFLSA-N	0	1	462.915	3.784	50	5		JHBAMN
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000004130717	523971866	/nfs/dbraw/zinc/97/18/66/523971866.db2.gz	LGQJDLILRZQIDL-UHFFFAOYSA-N	0	1	468.871	3.907	50	5		JHBAMN
C[C@@H](CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	ZINC000020413834	524619803	/nfs/dbraw/zinc/61/98/03/524619803.db2.gz	AYZSLGVHDIBBNE-NRFANRHFSA-N	0	1	459.550	3.843	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@@H]2c2cccs2)cc1F	ZINC000002462763	554223529	/nfs/dbraw/zinc/22/35/29/554223529.db2.gz	MNUZPLQYJVXKIL-OALUTQOASA-N	0	1	451.435	3.857	50	5		JHBAMN
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1	ZINC000006166266	554514097	/nfs/dbraw/zinc/51/40/97/554514097.db2.gz	GSEMCIQMXPKAFI-SSEXGKCCSA-N	0	1	465.549	3.759	50	5		JHBAMN
O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCN(Cc3ccccc3)CC2)n1-c1ccccc1F	ZINC000020155103	555674973	/nfs/dbraw/zinc/67/49/73/555674973.db2.gz	SYKZXJCHIUYCTL-UHFFFAOYSA-N	0	1	473.508	3.751	50	5		JHBAMN
CCOc1ccc([C@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000027522967	556287344	/nfs/dbraw/zinc/28/73/44/556287344.db2.gz	DHSZVDNNSZRBPK-XZOQPEGZSA-N	0	1	487.468	3.755	50	5		JHBAMN
COc1ccc(OC)c([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(F)cc2)c1	ZINC000027527656	556289247	/nfs/dbraw/zinc/28/92/47/556289247.db2.gz	SEZRVRFFBVATCE-FGZHOGPDSA-N	0	1	491.431	3.504	50	5		JHBAMN
COc1cccc(-n2c(CN3CCN(Cc4ccccc4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000008682880	562951609	/nfs/dbraw/zinc/95/16/09/562951609.db2.gz	AVGLCTPONXJEHU-UHFFFAOYSA-N	0	1	485.544	3.620	50	5		JHBAMN
Cc1cc2nc(CSc3ccccc3NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n2o1	ZINC000041089683	569837415	/nfs/dbraw/zinc/83/74/15/569837415.db2.gz	BBOSPZGSVINUTC-UHFFFAOYSA-N	0	1	472.504	3.597	50	5		JHBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)c(C)c1	ZINC000229904130	570042272	/nfs/dbraw/zinc/04/22/72/570042272.db2.gz	MZWGTVWFVAWHQR-CPJSRVTESA-N	0	1	462.506	3.704	50	5		JHBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	ZINC000009908005	195018699	/nfs/dbraw/zinc/01/86/99/195018699.db2.gz	MPTYKUZFOGHRCB-UHFFFAOYSA-N	0	1	495.580	3.766	50	5		JHBAMN
CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000020678029	195202981	/nfs/dbraw/zinc/20/29/81/195202981.db2.gz	ODZIFFPSKZFXGW-UHFFFAOYSA-N	0	1	450.543	3.744	50	5		JHBAMN
CCOc1ccc(Nc2nc(NC[C@H](c3ccccc3OC)N(C)C)nc(N)c2[N+](=O)[O-])cc1	ZINC000035681946	521139955	/nfs/dbraw/zinc/13/99/55/521139955.db2.gz	NNQVRDZVVGNVHO-GOSISDBHSA-N	0	1	467.530	3.833	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc(F)cc2)cc1F	ZINC000002462805	554223960	/nfs/dbraw/zinc/22/39/60/554223960.db2.gz	NRQHWIVQEWKYHJ-NHCUHLMSSA-N	0	1	463.396	3.934	50	5		JHBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)n1	ZINC000002709386	554297077	/nfs/dbraw/zinc/29/70/77/554297077.db2.gz	YYJQLOTUURSATC-UHFFFAOYSA-N	0	1	469.504	3.961	50	5		JHBAMN
O=C1NC(=S)N(c2ccccc2Cl)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12	ZINC000009252820	555027916	/nfs/dbraw/zinc/02/79/16/555027916.db2.gz	SGHRLOKZQMRVFJ-AUSIDOKSSA-N	0	1	484.965	3.988	50	5		JHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000009714718	555444628	/nfs/dbraw/zinc/44/46/28/555444628.db2.gz	PNXHZAGZYNVAOB-UHFFFAOYSA-N	0	1	457.464	3.665	50	5		JHBAMN
COc1ccc(OC)c([C@@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(F)cc2)c1	ZINC000027527658	556289362	/nfs/dbraw/zinc/28/93/62/556289362.db2.gz	SEZRVRFFBVATCE-YADHBBJMSA-N	0	1	491.431	3.504	50	5		JHBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000057222820	569594812	/nfs/dbraw/zinc/59/48/12/569594812.db2.gz	PMSKKIJPMHULCI-UHFFFAOYSA-N	0	1	474.517	3.956	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102753761	569821079	/nfs/dbraw/zinc/82/10/79/569821079.db2.gz	LVEVNSILPXFQHJ-WXFUMESZSA-N	0	1	489.484	3.972	50	5		JHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000143589327	569867593	/nfs/dbraw/zinc/86/75/93/569867593.db2.gz	LYPNGYSKAYHGLJ-BHDDXSALSA-N	0	1	463.421	3.794	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000245328574	570065832	/nfs/dbraw/zinc/06/58/32/570065832.db2.gz	VIKGSKDCLWACFL-HCOFWLBKSA-N	0	1	464.478	3.551	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)cc1	ZINC000009186965	194583488	/nfs/dbraw/zinc/58/34/88/194583488.db2.gz	LVGUGHMMFOGLPS-GJZUVCINSA-N	0	1	470.485	3.906	50	5		JHBAMN
CCN1CCN(Cc2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2C(C)C)CC1	ZINC000020608872	195182356	/nfs/dbraw/zinc/18/23/56/195182356.db2.gz	IZWVJLLGQRJQOU-UHFFFAOYSA-N	0	1	450.543	3.915	50	5		JHBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)CC1	ZINC000008809697	554689004	/nfs/dbraw/zinc/68/90/04/554689004.db2.gz	LEWHGNBHEWOUBE-UHFFFAOYSA-N	0	1	459.481	3.852	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1Cl)C2=O	ZINC000009128841	554926121	/nfs/dbraw/zinc/92/61/21/554926121.db2.gz	KJUUQEADKHGSHK-XMSQKQJNSA-N	0	1	456.886	3.679	50	5		JHBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009128992	554926639	/nfs/dbraw/zinc/92/66/39/554926639.db2.gz	ZGTMASBEDXBCCC-NVQXNPDNSA-N	0	1	470.485	3.988	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O	ZINC000009129186	554927047	/nfs/dbraw/zinc/92/70/47/554927047.db2.gz	NADLGOPYIYUZPN-GCJKJVERSA-N	0	1	456.886	3.679	50	5		JHBAMN
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1	ZINC000009475130	555257249	/nfs/dbraw/zinc/25/72/49/555257249.db2.gz	NFJRSBLAQUCBNC-UHFFFAOYSA-N	0	1	493.970	3.582	50	5		JHBAMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)cc1[N+](=O)[O-]	ZINC000015171758	555881773	/nfs/dbraw/zinc/88/17/73/555881773.db2.gz	ASBRCOJANIXWJH-UHFFFAOYSA-N	0	1	482.562	3.696	50	5		JHBAMN
O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)CC1	ZINC000055560063	569592099	/nfs/dbraw/zinc/59/20/99/569592099.db2.gz	NQACVDRNRFFMIG-UHFFFAOYSA-N	0	1	485.588	3.879	50	5		JHBAMN
COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035877218	569719893	/nfs/dbraw/zinc/71/98/93/569719893.db2.gz	CBRDEXMOHIMLPY-UHFFFAOYSA-N	0	1	488.880	3.676	50	5		JHBAMN
CC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340248	569763705	/nfs/dbraw/zinc/76/37/05/569763705.db2.gz	KFYZYYFGLUVTGA-QHCPKHFHSA-N	0	1	461.566	3.844	50	5		JHBAMN
CC(C)CNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677770	569868911	/nfs/dbraw/zinc/86/89/11/569868911.db2.gz	VQUZJPOQIZJRFT-GMAHTHKFSA-N	0	1	456.974	3.884	50	5		JHBAMN
O=C1NC(=S)N(c2ccccc2Cl)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@H]12	ZINC000229891338	570041754	/nfs/dbraw/zinc/04/17/54/570041754.db2.gz	SGHRLOKZQMRVFJ-CVDCTZTESA-N	0	1	484.965	3.988	50	5		JHBAMN
CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000002864311	554390531	/nfs/dbraw/zinc/39/05/31/554390531.db2.gz	WBZLXARHQBLUIY-UHFFFAOYSA-N	0	1	477.520	3.595	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2OC)cc1	ZINC000009633268	555336157	/nfs/dbraw/zinc/33/61/57/555336157.db2.gz	ZEWYVSHMYYEVIW-UHFFFAOYSA-N	0	1	471.491	3.974	50	5		JHBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000010059894	555611109	/nfs/dbraw/zinc/61/11/09/555611109.db2.gz	JRJBSWVTGHZBSM-WEVVVXLNSA-N	0	1	472.929	3.829	50	5		JHBAMN
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNCc2ccc(F)cc2)cc(OC)c1	ZINC000020155132	555675344	/nfs/dbraw/zinc/67/53/44/555675344.db2.gz	NILJQXMBROFHCX-UHFFFAOYSA-N	0	1	482.468	3.732	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527485	556288095	/nfs/dbraw/zinc/28/80/95/556288095.db2.gz	AQHKTGCHTABXCG-QZTJIDSGSA-N	0	1	498.860	3.971	50	5		JHBAMN
O=C(NCCc1cccs1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000106606441	569854345	/nfs/dbraw/zinc/85/43/45/569854345.db2.gz	DTPBLVIVJKMDQV-ILBGXUMGSA-N	0	1	476.602	3.878	50	5		JHBAMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000245327715	570065289	/nfs/dbraw/zinc/06/52/89/570065289.db2.gz	PSGOFQVCFAYQCT-IBUDROQVSA-N	0	1	478.505	3.805	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1C	ZINC000245329184	570066183	/nfs/dbraw/zinc/06/61/83/570066183.db2.gz	YCCGVXCMFMUAAV-MQXCIVDOSA-N	0	1	478.505	3.860	50	5		JHBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000001770480	194136468	/nfs/dbraw/zinc/13/64/68/194136468.db2.gz	MLPHHJSRWUHCTK-UHFFFAOYSA-N	0	1	455.477	3.653	50	5		JHBAMN
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])ccc3O)o2)c1	ZINC000012599533	195044801	/nfs/dbraw/zinc/04/48/01/195044801.db2.gz	BSCHKZRPFFHDHC-UHFFFAOYSA-N	0	1	464.525	3.673	50	5		JHBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004787098	520506870	/nfs/dbraw/zinc/50/68/70/520506870.db2.gz	ZMCWBVQGWBLCKV-SFHVURJKSA-N	0	1	452.496	3.726	50	5		JHBAMN
COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000012520166	524654685	/nfs/dbraw/zinc/65/46/85/524654685.db2.gz	QJTZJNKYOLTSHM-UHFFFAOYSA-N	0	1	485.453	3.672	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2ccc(F)cc2)cc1F	ZINC000002462806	554223848	/nfs/dbraw/zinc/22/38/48/554223848.db2.gz	NRQHWIVQEWKYHJ-RTWAWAEBSA-N	0	1	463.396	3.934	50	5		JHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1	ZINC000002870731	554395400	/nfs/dbraw/zinc/39/54/00/554395400.db2.gz	NKYIDCPMRWUHRO-UHFFFAOYSA-N	0	1	467.912	3.850	50	5		JHBAMN
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1	ZINC000009335484	555102857	/nfs/dbraw/zinc/10/28/57/555102857.db2.gz	UKWREJLDRIOWPT-UHFFFAOYSA-N	0	1	458.423	3.574	50	5		JHBAMN
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1[N+](=O)[O-]	ZINC000009714628	555444316	/nfs/dbraw/zinc/44/43/16/555444316.db2.gz	LNZWOJCSXFAPMS-UHFFFAOYSA-N	0	1	484.494	3.669	50	5		JHBAMN
COc1ccc(OC)c([C@H]2C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C(=O)N2c2ccc(F)cc2)c1	ZINC000027527657	556289255	/nfs/dbraw/zinc/28/92/55/556289255.db2.gz	SEZRVRFFBVATCE-FCHUYYIVSA-N	0	1	491.431	3.504	50	5		JHBAMN
O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)c(S(=O)(=O)N2CCCC2)c1	ZINC000069929643	569693925	/nfs/dbraw/zinc/69/39/25/569693925.db2.gz	UBVQNICEPKGQMY-UHFFFAOYSA-N	0	1	480.590	3.855	50	5		JHBAMN
COCc1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OC	ZINC000004022973	194370858	/nfs/dbraw/zinc/37/08/58/194370858.db2.gz	CSQTWOXVQMHCNV-UHFFFAOYSA-N	0	1	454.844	3.728	50	5		JHBAMN
CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000036189839	520625341	/nfs/dbraw/zinc/62/53/41/520625341.db2.gz	KWLLYQZMXTVBFM-VGOFMYFVSA-N	0	1	462.256	3.555	50	5		JHBAMN
Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1	ZINC000002462783	554223541	/nfs/dbraw/zinc/22/35/41/554223541.db2.gz	CTLIOERLXMERNM-MOPGFXCFSA-N	0	1	451.435	3.857	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2cccs2)cc1F	ZINC000002462787	554223602	/nfs/dbraw/zinc/22/36/02/554223602.db2.gz	HEFMLRZWPGSMRR-OALUTQOASA-N	0	1	451.435	3.857	50	5		JHBAMN
CCOC(=O)c1cc(CC)sc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC)CC1	ZINC000006134723	554506540	/nfs/dbraw/zinc/50/65/40/554506540.db2.gz	LNJHQRVTJGHYFR-UHFFFAOYSA-N	0	1	460.556	3.790	50	5		JHBAMN
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1	ZINC000009475136	555257237	/nfs/dbraw/zinc/25/72/37/555257237.db2.gz	UGLHECQDDDEFHB-UHFFFAOYSA-N	0	1	493.970	3.582	50	5		JHBAMN
CCOc1ccc([C@@H]2C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000027522969	556287499	/nfs/dbraw/zinc/28/74/99/556287499.db2.gz	DHSZVDNNSZRBPK-PKTZIBPZSA-N	0	1	487.468	3.755	50	5		JHBAMN
O=C(COc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000034681982	569643756	/nfs/dbraw/zinc/64/37/56/569643756.db2.gz	KNORPANIGADYHJ-UHFFFAOYSA-N	0	1	461.522	3.720	50	5		JHBAMN
Cc1nc(-c2ccccc2)nc(N2CCN(CC(C)(C)O)CC2)c1Cc1ccc([N+](=O)[O-])cc1	ZINC000036316564	569763259	/nfs/dbraw/zinc/76/32/59/569763259.db2.gz	OWGQMRDJJJIHKQ-UHFFFAOYSA-N	0	1	461.566	3.844	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000137648326	569865106	/nfs/dbraw/zinc/86/51/06/569865106.db2.gz	CEFWHDCPWNQIKV-YTFSRNRJSA-N	0	1	475.457	3.663	50	5		JHBAMN
O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009957506	195037064	/nfs/dbraw/zinc/03/70/64/195037064.db2.gz	KLGRPPMKDXJOTQ-NRFANRHFSA-N	0	1	485.518	3.522	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@H]2c2cccs2)cc1F	ZINC000002462792	554223896	/nfs/dbraw/zinc/22/38/96/554223896.db2.gz	HEFMLRZWPGSMRR-MOPGFXCFSA-N	0	1	451.435	3.857	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)[C@@H]2c2ccc(F)cc2)cc1F	ZINC000002462801	554223945	/nfs/dbraw/zinc/22/39/45/554223945.db2.gz	NRQHWIVQEWKYHJ-LEWJYISDSA-N	0	1	463.396	3.934	50	5		JHBAMN
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C	ZINC000009129184	554927141	/nfs/dbraw/zinc/92/71/41/554927141.db2.gz	QABPEIJJCONUHH-OFVILXPXSA-N	0	1	464.522	3.907	50	5		JHBAMN
Cc1ccc(Cn2cc(Br)c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000013959834	555662694	/nfs/dbraw/zinc/66/26/94/555662694.db2.gz	QWHSHIGRMMHDAU-UHFFFAOYSA-N	0	1	451.302	3.711	50	5		JHBAMN
COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000057222664	569594772	/nfs/dbraw/zinc/59/47/72/569594772.db2.gz	KLBLBYJVEAKAQW-UHFFFAOYSA-N	0	1	474.517	3.956	50	5		JHBAMN
O=C(COc1ccccc1)Nc1ccc(N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000034681981	569643750	/nfs/dbraw/zinc/64/37/50/569643750.db2.gz	NQLVYDDXSNEOCG-UHFFFAOYSA-N	0	1	461.522	3.720	50	5		JHBAMN
CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034831204	569664068	/nfs/dbraw/zinc/66/40/68/569664068.db2.gz	GXFANVWQLGSAGJ-UHFFFAOYSA-N	0	1	476.581	3.893	50	5		JHBAMN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000106606212	569854403	/nfs/dbraw/zinc/85/44/03/569854403.db2.gz	ARYUPWCNNZPFLO-FYYLOGMGSA-N	0	1	454.958	3.638	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000227026458	570039605	/nfs/dbraw/zinc/03/96/05/570039605.db2.gz	FDRVSJNOHWSSMY-YTFSRNRJSA-N	0	1	493.447	3.802	50	5		JHBAMN
O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009957511	195037046	/nfs/dbraw/zinc/03/70/46/195037046.db2.gz	KLGRPPMKDXJOTQ-OAQYLSRUSA-N	0	1	485.518	3.522	50	5		JHBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)n1	ZINC000002709571	554297089	/nfs/dbraw/zinc/29/70/89/554297089.db2.gz	CJLPYYKPXCZSNJ-UHFFFAOYSA-N	0	1	461.887	3.708	50	5		JHBAMN
O=C(NCCNc1nc2ccccc2s1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012544783	556020765	/nfs/dbraw/zinc/02/07/65/556020765.db2.gz	KRIBWUBUNAXTBG-UHFFFAOYSA-N	0	1	497.558	3.847	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527486	556288091	/nfs/dbraw/zinc/28/80/91/556288091.db2.gz	AQHKTGCHTABXCG-ROUUACIJSA-N	0	1	498.860	3.971	50	5		JHBAMN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000035870358	569718214	/nfs/dbraw/zinc/71/82/14/569718214.db2.gz	ARYUPWCNNZPFLO-GMAHTHKFSA-N	0	1	454.958	3.638	50	5		JHBAMN
CC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340249	569763675	/nfs/dbraw/zinc/76/36/75/569763675.db2.gz	KFYZYYFGLUVTGA-HSZRJFAPSA-N	0	1	461.566	3.844	50	5		JHBAMN
CCN(CC)CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000040158385	569822070	/nfs/dbraw/zinc/82/20/70/569822070.db2.gz	NGESITDKLXWPKD-UHFFFAOYSA-N	0	1	486.388	3.903	50	5		JHBAMN
O=c1c2cc3c(ccn(-c4nnc(C5CCCCC5)[nH]4)c3=O)nc2ccn1Cc1ccccc1	ZINC000040399029	569826208	/nfs/dbraw/zinc/82/62/08/569826208.db2.gz	VAICPLVOESFLJR-UHFFFAOYSA-N	0	1	452.518	3.915	50	5		JHBAMN
O=c1c2cc3c(ccn(-c4n[nH]c(C5CCCCC5)n4)c3=O)nc2ccn1Cc1ccccc1	ZINC000040399029	569826210	/nfs/dbraw/zinc/82/62/10/569826210.db2.gz	VAICPLVOESFLJR-UHFFFAOYSA-N	0	1	452.518	3.915	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@H]43)C2=O)c(C)c1	ZINC000230025511	570043717	/nfs/dbraw/zinc/04/37/17/570043717.db2.gz	QQAAUDGWJCCDAB-OFVILXPXSA-N	0	1	462.506	3.991	50	5		JHBAMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)cc1	ZINC000245325577	570064304	/nfs/dbraw/zinc/06/43/04/570064304.db2.gz	FWTKOEFFKWYWBX-IBUDROQVSA-N	0	1	494.504	3.642	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000016156296	524693218	/nfs/dbraw/zinc/69/32/18/524693218.db2.gz	USWDZYQFGRMSSD-UHFFFAOYSA-N	0	1	477.520	3.513	50	5		JHBAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1	ZINC000009634891	555341032	/nfs/dbraw/zinc/34/10/32/555341032.db2.gz	XIXCZUQBTUOCIS-UHFFFAOYSA-N	0	1	470.507	3.723	50	5		JHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1	ZINC000009569486	555367644	/nfs/dbraw/zinc/36/76/44/555367644.db2.gz	YPKPASXXASHVCA-UHFFFAOYSA-N	0	1	473.532	3.537	50	5		JHBAMN
COc1ccccc1[C@@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1	ZINC000015128625	555879219	/nfs/dbraw/zinc/87/92/19/555879219.db2.gz	PJLLTNRVOQXQQL-OAQYLSRUSA-N	0	1	462.572	3.539	50	5		JHBAMN
Cc1nn(Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)cc2)c(C)c1[N+](=O)[O-]	ZINC000025915960	556238816	/nfs/dbraw/zinc/23/88/16/556238816.db2.gz	TWMSOJVVAKBKBI-UHFFFAOYSA-N	0	1	462.554	3.769	50	5		JHBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527446	556287790	/nfs/dbraw/zinc/28/77/90/556287790.db2.gz	QUXGWSZOIMBBJI-QZTJIDSGSA-N	0	1	498.860	3.971	50	5		JHBAMN
COc1ccccc1[C@@H](CNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCCC1	ZINC000068734295	569691900	/nfs/dbraw/zinc/69/19/00/569691900.db2.gz	QJMDEGUOGABUFI-OAQYLSRUSA-N	0	1	482.537	3.635	50	5		JHBAMN
O=C(NCCc1cccs1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000035894516	569723009	/nfs/dbraw/zinc/72/30/09/569723009.db2.gz	DTPBLVIVJKMDQV-ZCYQVOJMSA-N	0	1	476.602	3.878	50	5		JHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000101112590	569783275	/nfs/dbraw/zinc/78/32/75/569783275.db2.gz	LYPNGYSKAYHGLJ-BDTNDASRSA-N	0	1	463.421	3.794	50	5		JHBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000229907299	570042283	/nfs/dbraw/zinc/04/22/83/570042283.db2.gz	GRLANHLPWDMAJR-CVDCTZTESA-N	0	1	468.897	3.823	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000245326988	570065132	/nfs/dbraw/zinc/06/51/32/570065132.db2.gz	NLJFZWILDCTVKR-HCOFWLBKSA-N	0	1	464.478	3.551	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@@H]43)C2=O)c1	ZINC000245328573	570065968	/nfs/dbraw/zinc/06/59/68/570065968.db2.gz	VIKGSKDCLWACFL-DFMDOGHASA-N	0	1	464.478	3.551	50	5		JHBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccnc3)nn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000004787076	520506425	/nfs/dbraw/zinc/50/64/25/520506425.db2.gz	APUFHLIDNGJDHV-SFHVURJKSA-N	0	1	452.496	3.726	50	5		JHBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)c([N+](=O)[O-])c1	ZINC000019949885	555566573	/nfs/dbraw/zinc/56/65/73/555566573.db2.gz	UKLVMIYKBPGFCX-IBGZPJMESA-N	0	1	475.505	3.794	50	5		JHBAMN
COc1ccc(CNCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2F)cc1	ZINC000020155024	555674898	/nfs/dbraw/zinc/67/48/98/555674898.db2.gz	WEHQVWLTKYNXHS-UHFFFAOYSA-N	0	1	452.442	3.723	50	5		JHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1	ZINC000089688821	569719520	/nfs/dbraw/zinc/71/95/20/569719520.db2.gz	XGTPXEZFSIKMCA-UHFFFAOYSA-N	0	1	499.501	3.508	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101127275	569783835	/nfs/dbraw/zinc/78/38/35/569783835.db2.gz	CEFWHDCPWNQIKV-ZLNRFVROSA-N	0	1	475.457	3.663	50	5		JHBAMN
COC(=O)C1=CN(c2ccc(C)c(Cl)c2)C=C(C(=O)OC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016286139	522900106	/nfs/dbraw/zinc/90/01/06/522900106.db2.gz	BTULCFGKZMSDPJ-UHFFFAOYSA-N	0	1	488.880	3.988	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000027527487	527105324	/nfs/dbraw/zinc/10/53/24/527105324.db2.gz	AQHKTGCHTABXCG-MSOLQXFVSA-N	0	1	498.860	3.971	50	5		JHBAMN
Nc1ccc(S(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	ZINC000008432925	554586496	/nfs/dbraw/zinc/58/64/96/554586496.db2.gz	DSZWNQCHLSSXPH-UHFFFAOYSA-N	0	1	459.396	3.570	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129374	554927581	/nfs/dbraw/zinc/92/75/81/554927581.db2.gz	FVCCLCFGVHSKBQ-RDPSFJRHSA-N	0	1	450.495	3.642	50	5		JHBAMN
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1O	ZINC000034848012	569666991	/nfs/dbraw/zinc/66/69/91/569666991.db2.gz	JMBIPPDTMQAQFD-UHFFFAOYSA-N	0	1	486.452	3.551	50	5		JHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1	ZINC000089774660	569719632	/nfs/dbraw/zinc/71/96/32/569719632.db2.gz	LVCWDTGDNDOCHZ-UHFFFAOYSA-N	0	1	467.912	3.850	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101237317	569787771	/nfs/dbraw/zinc/78/77/71/569787771.db2.gz	URRNKCCGLYISGN-ZRBLBEILSA-N	0	1	493.447	3.802	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000102766024	569822872	/nfs/dbraw/zinc/82/28/72/569822872.db2.gz	URRNKCCGLYISGN-DNVJHFABSA-N	0	1	493.447	3.802	50	5		JHBAMN
O=C(NCC1CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000106606213	569854379	/nfs/dbraw/zinc/85/43/79/569854379.db2.gz	ARYUPWCNNZPFLO-JTHBVZDNSA-N	0	1	454.958	3.638	50	5		JHBAMN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)C([N+](=O)[O-])[C@@H]3C=CC=NN32)cc1	ZINC000230043345	570043864	/nfs/dbraw/zinc/04/38/64/570043864.db2.gz	PKBKFBIRMARUGK-NMLBUPMWSA-N	0	1	456.296	3.678	50	5		JHBAMN
COc1c2c(c(Br)c3c1C[N@@+](C)(Cc1cc(=O)oc4cc([O-])ccc14)CC3)OCO2	ZINC000824528212	717191980	/nfs/dbraw/zinc/19/19/80/717191980.db2.gz	LRDVDYNNCSLNAR-XMMPIXPASA-O	0	1	475.315	3.701	50	5		JHBAMN
CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)N=C(C)C2C(=O)OC)cc1[N+](=O)[O-]	ZINC000001105796	194025506	/nfs/dbraw/zinc/02/55/06/194025506.db2.gz	CXIGKBZHAOPYRS-QFIPXVFZSA-N	0	1	477.477	3.647	50	5		JHBAMN
CC(C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000096457219	130086022	/nfs/dbraw/zinc/08/60/22/130086022.db2.gz	BKYBYWAMZMEHIU-LADGPHEKSA-N	0	1	454.546	3.759	50	5		JHBAMN
C[C@H](CN1CCN(Cc2ccccc2)CC1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1	ZINC000020413837	524345519	/nfs/dbraw/zinc/34/55/19/524345519.db2.gz	AYZSLGVHDIBBNE-OAQYLSRUSA-N	0	1	459.550	3.843	50	5		JHBAMN
Cc1ccc2nc(SCC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)[nH]c2c1	ZINC000006013447	526255151	/nfs/dbraw/zinc/25/51/51/526255151.db2.gz	BSRLUGGJJNENQH-UHFFFAOYSA-N	0	1	489.560	3.800	50	5		JHBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cc2)n1	ZINC000002754736	554327917	/nfs/dbraw/zinc/32/79/17/554327917.db2.gz	AISOLSWSRVJPNE-UHFFFAOYSA-N	0	1	461.887	3.708	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)cc1	ZINC000009186964	554959071	/nfs/dbraw/zinc/95/90/71/554959071.db2.gz	LVGUGHMMFOGLPS-ATIYNZHBSA-N	0	1	470.485	3.906	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c(C)c1	ZINC000009234553	555008109	/nfs/dbraw/zinc/00/81/09/555008109.db2.gz	QQAAUDGWJCCDAB-BWKNWUBXSA-N	0	1	462.506	3.786	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c1	ZINC000009448139	555220808	/nfs/dbraw/zinc/22/08/08/555220808.db2.gz	NYFPBKFQGJVFRA-ATIYNZHBSA-N	0	1	470.485	3.906	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1	ZINC000027527342	556287333	/nfs/dbraw/zinc/28/73/33/556287333.db2.gz	APCJVUIXYYUCHB-SFTDATJTSA-N	0	1	491.843	3.730	50	5		JHBAMN
O=C(CNC1(c2cccc(Br)c2)CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000072273025	569701478	/nfs/dbraw/zinc/70/14/78/569701478.db2.gz	CPOLEJAJUYZGPO-UHFFFAOYSA-N	0	1	460.328	3.542	50	5		JHBAMN
O=C(NCCc1ccccc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035870396	569718376	/nfs/dbraw/zinc/71/83/76/569718376.db2.gz	QHKGQXMNXMHBNF-XNMGPUDCSA-N	0	1	488.563	3.956	50	5		JHBAMN
O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035870397	569718381	/nfs/dbraw/zinc/71/83/81/569718381.db2.gz	QHKGQXMNXMHBNF-AHKZPQOWSA-N	0	1	488.563	3.956	50	5		JHBAMN
CC(C)CNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035894710	569723077	/nfs/dbraw/zinc/72/30/77/569723077.db2.gz	VQUZJPOQIZJRFT-FYYLOGMGSA-N	0	1	456.974	3.884	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c(C)c1	ZINC000245326514	570064730	/nfs/dbraw/zinc/06/47/30/570064730.db2.gz	LCICRFYDKGVTOL-KICOXREZSA-N	0	1	478.505	3.860	50	5		JHBAMN
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1C(C)C	ZINC000245327747	570065572	/nfs/dbraw/zinc/06/55/72/570065572.db2.gz	QABPEIJJCONUHH-PXDATVDWSA-N	0	1	464.522	3.907	50	5		JHBAMN
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	ZINC000009908037	195019023	/nfs/dbraw/zinc/01/90/23/195019023.db2.gz	JBXXQZKXCPEJMG-DHZHZOJOSA-N	0	1	452.511	3.565	50	5		JHBAMN
CCN1CCN(Cc2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3n2C(C)C)CC1	ZINC000020608876	195182226	/nfs/dbraw/zinc/18/22/26/195182226.db2.gz	DLWLFYGZUFBKCG-UHFFFAOYSA-N	0	1	450.543	3.915	50	5		JHBAMN
CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020678034	195202994	/nfs/dbraw/zinc/20/29/94/195202994.db2.gz	UQAMEJBBFPRQAY-UHFFFAOYSA-N	0	1	450.543	3.744	50	5		JHBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1[N+](=O)[O-]	ZINC000016156375	525610308	/nfs/dbraw/zinc/61/03/08/525610308.db2.gz	ZTRBARMCAYMDCO-UHFFFAOYSA-N	0	1	465.484	3.644	50	5		JHBAMN
Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H]1c1cccs1	ZINC000002462780	554223577	/nfs/dbraw/zinc/22/35/77/554223577.db2.gz	CTLIOERLXMERNM-RTBURBONSA-N	0	1	451.435	3.857	50	5		JHBAMN
CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1	ZINC000006166267	554513915	/nfs/dbraw/zinc/51/39/15/554513915.db2.gz	GSEMCIQMXPKAFI-PMERELPUSA-N	0	1	465.549	3.759	50	5		JHBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000009111414	554898768	/nfs/dbraw/zinc/89/87/68/554898768.db2.gz	DQTVRLLVHDPTFZ-OFVILXPXSA-N	0	1	456.458	3.598	50	5		JHBAMN
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1C(C)C	ZINC000009129182	554927095	/nfs/dbraw/zinc/92/70/95/554927095.db2.gz	QABPEIJJCONUHH-SQJMNOBHSA-N	0	1	464.522	3.907	50	5		JHBAMN
Cc1cccc2oc3cc(NCCCN(C)CCO)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12	ZINC000009462114	555230921	/nfs/dbraw/zinc/23/09/21/555230921.db2.gz	FTOGEAMRVWXYEE-UHFFFAOYSA-N	0	1	457.530	3.975	50	5		JHBAMN
Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1[N+](=O)[O-]	ZINC000009714641	555444261	/nfs/dbraw/zinc/44/42/61/555444261.db2.gz	YTQOKWUMGNMEEM-UHFFFAOYSA-N	0	1	484.494	3.669	50	5		JHBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328572	570065870	/nfs/dbraw/zinc/06/58/70/570065870.db2.gz	VIIUZRFDNPKPBJ-RCRBYDPDSA-N	0	1	468.897	3.883	50	5		JHBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000096457218	130085994	/nfs/dbraw/zinc/08/59/94/130085994.db2.gz	BKYBYWAMZMEHIU-ISKFKSNPSA-N	0	1	454.546	3.759	50	5		JHBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cc1[N+](=O)[O-]	ZINC000022702647	525597820	/nfs/dbraw/zinc/59/78/20/525597820.db2.gz	OSWHOLKUEIWCJJ-UHFFFAOYSA-N	0	1	483.502	3.705	50	5		JHBAMN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)C([N+](=O)[O-])[C@H]3C=CC=NN32)cc1	ZINC000009043378	554869712	/nfs/dbraw/zinc/86/97/12/554869712.db2.gz	PKBKFBIRMARUGK-WCIQWLHISA-N	0	1	456.296	3.678	50	5		JHBAMN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NC2CCCCC2)cc1	ZINC000009137272	554933120	/nfs/dbraw/zinc/93/31/20/554933120.db2.gz	VCTNZXFCEUBUID-UHFFFAOYSA-N	0	1	479.584	3.528	50	5		JHBAMN
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000009714721	555444590	/nfs/dbraw/zinc/44/45/90/555444590.db2.gz	ZYWZVAFONSKTPT-UHFFFAOYSA-N	0	1	457.464	3.665	50	5		JHBAMN
O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)c([N+](=O)[O-])c1	ZINC000019949890	555566618	/nfs/dbraw/zinc/56/66/18/555566618.db2.gz	UKLVMIYKBPGFCX-LJQANCHMSA-N	0	1	475.505	3.794	50	5		JHBAMN
O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000010657279	555730739	/nfs/dbraw/zinc/73/07/39/555730739.db2.gz	GPMCGNKTVVDCIH-UHFFFAOYSA-N	0	1	491.529	3.554	50	5		JHBAMN
COc1cccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)c1	ZINC000018044186	556279514	/nfs/dbraw/zinc/27/95/14/556279514.db2.gz	LYPNGYSKAYHGLJ-VSKRKVRLSA-N	0	1	463.421	3.794	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018120327	556290398	/nfs/dbraw/zinc/29/03/98/556290398.db2.gz	HTCXICINKGOFAI-SMIHKQSGSA-N	0	1	489.484	3.972	50	5		JHBAMN
O=C(NCC1CC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169678725	569869283	/nfs/dbraw/zinc/86/92/83/569869283.db2.gz	ARYUPWCNNZPFLO-GGAORHGYSA-N	0	1	454.958	3.638	50	5		JHBAMN
CC(C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681842	569870810	/nfs/dbraw/zinc/87/08/10/569870810.db2.gz	BKYBYWAMZMEHIU-VWNXMTODSA-N	0	1	454.546	3.759	50	5		JHBAMN
CCN1CCN(Cc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C(C)C)CC1	ZINC000020608869	195182336	/nfs/dbraw/zinc/18/23/36/195182336.db2.gz	YSBCPZHQCFCROZ-UHFFFAOYSA-N	0	1	450.543	3.915	50	5		JHBAMN
Cc1ccc(N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)[C@H]2c2cccs2)cc1F	ZINC000002462765	554223618	/nfs/dbraw/zinc/22/36/18/554223618.db2.gz	MNUZPLQYJVXKIL-RTBURBONSA-N	0	1	451.435	3.857	50	5		JHBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129377	554927592	/nfs/dbraw/zinc/92/75/92/554927592.db2.gz	FVCCLCFGVHSKBQ-GBXCKJPGSA-N	0	1	450.495	3.642	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129376	554927662	/nfs/dbraw/zinc/92/76/62/554927662.db2.gz	FVCCLCFGVHSKBQ-HYBUGGRVSA-N	0	1	450.495	3.642	50	5		JHBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(C)cc1C)C2=O	ZINC000009129373	554927667	/nfs/dbraw/zinc/92/76/67/554927667.db2.gz	FVCCLCFGVHSKBQ-YKSBVNFPSA-N	0	1	450.495	3.642	50	5		JHBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c1	ZINC000009448141	555220753	/nfs/dbraw/zinc/22/07/53/555220753.db2.gz	NYFPBKFQGJVFRA-GJZUVCINSA-N	0	1	470.485	3.906	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000013758795	555611914	/nfs/dbraw/zinc/61/19/14/555611914.db2.gz	HTCXICINKGOFAI-RBZQAINGSA-N	0	1	489.484	3.972	50	5		JHBAMN
O=C1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1	ZINC000027527340	556287488	/nfs/dbraw/zinc/28/74/88/556287488.db2.gz	APCJVUIXYYUCHB-LEWJYISDSA-N	0	1	491.843	3.730	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000018124975	556291534	/nfs/dbraw/zinc/29/15/34/556291534.db2.gz	FDRVSJNOHWSSMY-ZLNRFVROSA-N	0	1	493.447	3.802	50	5		JHBAMN
Cc1nc(CN(C)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)[nH]c1-c1cccc([N+](=O)[O-])c1	ZINC000089547810	569718832	/nfs/dbraw/zinc/71/88/32/569718832.db2.gz	JRHWOZXZVPMQKA-UHFFFAOYSA-N	0	1	485.566	3.642	50	5		JHBAMN
COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc([N+](=O)[O-])c1O	ZINC000102780572	569823800	/nfs/dbraw/zinc/82/38/00/569823800.db2.gz	XSEMFIXIFJNPFI-UHFFFAOYSA-N	0	1	459.495	3.541	50	5		JHBAMN
Cc1cc(C)cc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)c1	ZINC000245328170	570065652	/nfs/dbraw/zinc/06/56/52/570065652.db2.gz	SQORGOSFASGLRC-KICOXREZSA-N	0	1	478.505	3.860	50	5		JHBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000245329467	570066364	/nfs/dbraw/zinc/06/63/64/570066364.db2.gz	ZGTMASBEDXBCCC-ATIYNZHBSA-N	0	1	470.485	3.988	50	5		JHBAMN
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	ZINC000012411360	520633993	/nfs/dbraw/zinc/63/39/93/520633993.db2.gz	KYPHIVXJAXXJJL-SXGWCWSVSA-N	0	1	461.427	3.513	50	5		JHBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c(C)c1	ZINC000009234549	555007941	/nfs/dbraw/zinc/00/79/41/555007941.db2.gz	QQAAUDGWJCCDAB-PXDATVDWSA-N	0	1	462.506	3.786	50	5		JHBAMN
COc1ccccc1[C@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1	ZINC000015128627	555879212	/nfs/dbraw/zinc/87/92/12/555879212.db2.gz	PJLLTNRVOQXQQL-NRFANRHFSA-N	0	1	462.572	3.539	50	5		JHBAMN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000025266433	556206909	/nfs/dbraw/zinc/20/69/09/556206909.db2.gz	RJHUVQFASGUFHZ-UHFFFAOYSA-N	0	1	456.502	3.556	50	5		JHBAMN
O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)CC1	ZINC000057233537	569594873	/nfs/dbraw/zinc/59/48/73/569594873.db2.gz	ZZOPMJVCBCOALN-UHFFFAOYSA-N	0	1	491.617	3.941	50	5		JHBAMN
Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000062579923	569611681	/nfs/dbraw/zinc/61/16/81/569611681.db2.gz	XBNJIOWTNOWSRH-UHFFFAOYSA-N	0	1	456.568	3.541	50	5		JHBAMN
CN1CCN(CCCNc2cc3oc4ccccc4[nH]c3c3c(=O)c4ccccc4c(=O)c23)CC1	ZINC000101030705	569780183	/nfs/dbraw/zinc/78/01/83/569780183.db2.gz	JJDZDTXUKZUUCF-UHFFFAOYSA-N	0	1	468.557	3.990	50	5		JHBAMN
COc1cc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000101151153	569784744	/nfs/dbraw/zinc/78/47/44/569784744.db2.gz	LVEVNSILPXFQHJ-SMIHKQSGSA-N	0	1	489.484	3.972	50	5		JHBAMN
O=C(NCCc1ccccc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169677780	569868965	/nfs/dbraw/zinc/86/89/65/569868965.db2.gz	QHKGQXMNXMHBNF-BDYUSTAISA-N	0	1	488.563	3.956	50	5		JHBAMN
CCOc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000245325579	570064326	/nfs/dbraw/zinc/06/43/26/570064326.db2.gz	FWTKOEFFKWYWBX-SVIAQXTKSA-N	0	1	494.504	3.642	50	5		JHBAMN
CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000245327718	570065335	/nfs/dbraw/zinc/06/53/35/570065335.db2.gz	PSGOFQVCFAYQCT-SVIAQXTKSA-N	0	1	478.505	3.805	50	5		JHBAMN