smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000072578075	202365722	/nfs/dbraw/zinc/36/57/22/202365722.db2.gz	AXJCARHWAGSXGD-CYBMUJFWSA-N	0	1	349.431	3.645	50	5		EHBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(C)cc1	ZINC000100848922	206258827	/nfs/dbraw/zinc/25/88/27/206258827.db2.gz	MRKIEWNFKOHLAN-KRWDZBQOSA-N	0	1	337.379	3.603	50	5		EHBAMN
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000047248321	564025959	/nfs/dbraw/zinc/02/59/59/564025959.db2.gz	GMHQFGHREYXNBA-JSGCOSHPSA-N	0	1	339.376	3.567	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1	ZINC000047406636	564026254	/nfs/dbraw/zinc/02/62/54/564026254.db2.gz	IFIICLFNJKGRAU-DZGCQCFKSA-N	0	1	342.399	3.657	50	5		EHBAMN
C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1	ZINC000328586362	564136455	/nfs/dbraw/zinc/13/64/55/564136455.db2.gz	BAJHFWNJMOCHAM-ZDUSSCGKSA-N	0	1	340.358	3.770	50	5		EHBAMN
Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC(C)(C)CCc2ccccc21	ZINC000252494732	564119633	/nfs/dbraw/zinc/11/96/33/564119633.db2.gz	OCYVIUOIYFLYJL-HNNXBMFYSA-N	0	1	328.416	3.522	50	5		EHBAMN
Cc1ccc(-c2c3c(N)[nH]nc3nc3c4ccccc4nnc32)cc1	ZINC000034573163	563428834	/nfs/dbraw/zinc/42/88/34/563428834.db2.gz	XACXLSXTHSSYDB-UHFFFAOYSA-N	0	1	326.363	3.612	50	5		EHBAMN
COc1ccccc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000135963	563986929	/nfs/dbraw/zinc/98/69/29/563986929.db2.gz	KYPTXCAQGNANPZ-UHFFFAOYSA-N	0	1	326.396	3.983	50	5		EHBAMN
Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c1	ZINC000005169648	563999862	/nfs/dbraw/zinc/99/98/62/563999862.db2.gz	RMWXEMUFNIVMIW-UHFFFAOYSA-N	0	1	344.352	3.575	50	5		EHBAMN
COC(=O)c1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016419933	564085967	/nfs/dbraw/zinc/08/59/67/564085967.db2.gz	XZAJIRTXLBBQFS-ZDUSSCGKSA-N	0	1	328.368	3.574	50	5		EHBAMN
O=C1CCCC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)n1ncnc1N2	ZINC000102672331	204046676	/nfs/dbraw/zinc/04/66/76/204046676.db2.gz	MGTCZVTZBREPJX-CQSZACIVSA-N	0	1	345.746	3.511	50	5		EHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000000271993	563990059	/nfs/dbraw/zinc/99/00/59/563990059.db2.gz	DMFYDAPWLWONCQ-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(O)c(Cl)c1	ZINC000031389258	202204727	/nfs/dbraw/zinc/20/47/27/202204727.db2.gz	QUAHZYIMPGGHRU-UHFFFAOYSA-N	0	1	334.759	3.616	50	5		EHBAMN
Cc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	ZINC000002769932	564152482	/nfs/dbraw/zinc/15/24/82/564152482.db2.gz	GUBIZLVSROLCAI-UHFFFAOYSA-N	0	1	330.325	3.839	50	5		EHBAMN
O=C(OCc1nc2ccc3ccccc3c2[nH]1)c1ccc([N+](=O)[O-])cc1	ZINC000003903089	564159649	/nfs/dbraw/zinc/15/96/49/564159649.db2.gz	KLONWNXHBPFCQO-UHFFFAOYSA-N	0	1	347.330	3.981	50	5		EHBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2Cl)n[nH]1	ZINC000040082772	202168200	/nfs/dbraw/zinc/16/82/00/202168200.db2.gz	NXBDYJUIIBYCGO-UHFFFAOYSA-N	0	1	342.742	3.891	50	5		EHBAMN
CC(C)(C)C[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000084169752	564067146	/nfs/dbraw/zinc/06/71/46/564067146.db2.gz	HGBSHNRLBKNJNQ-GFCCVEGCSA-N	0	1	330.388	3.512	50	5		EHBAMN
O=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000014011258	563982791	/nfs/dbraw/zinc/98/27/91/563982791.db2.gz	OLIVDXDYWYPSHJ-WDZFZDKYSA-N	0	1	333.687	3.529	50	5		EHBAMN
Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-]	ZINC000005090918	563994274	/nfs/dbraw/zinc/99/42/74/563994274.db2.gz	DGSMJPISZGIEHK-UHFFFAOYSA-N	0	1	342.376	3.857	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4CCCC[C@@H]4C3)n2)cc1	ZINC000047406637	564026230	/nfs/dbraw/zinc/02/62/30/564026230.db2.gz	IFIICLFNJKGRAU-UKRRQHHQSA-N	0	1	342.399	3.657	50	5		EHBAMN
COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000012981159	564135780	/nfs/dbraw/zinc/13/57/80/564135780.db2.gz	UWHLUMUMRNYUQC-SFHVURJKSA-N	0	1	342.395	3.949	50	5		EHBAMN
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCc4ccc(F)cc43)CC2)cc1	ZINC000072313261	563929473	/nfs/dbraw/zinc/92/94/73/563929473.db2.gz	IZWCNOSVQAYGMD-IBGZPJMESA-N	0	1	341.386	3.543	50	5		EHBAMN
C[C@@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000266583586	564087922	/nfs/dbraw/zinc/08/79/22/564087922.db2.gz	IUSISFLAKBWPTO-AWEZNQCLSA-N	0	1	327.384	3.594	50	5		EHBAMN
Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000005646532	564006942	/nfs/dbraw/zinc/00/69/42/564006942.db2.gz	NIFIYRDJULXSNH-UHFFFAOYSA-N	0	1	342.380	3.510	50	5		EHBAMN
Cc1ccc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C2CC2)cc1	ZINC000084148817	564067049	/nfs/dbraw/zinc/06/70/49/564067049.db2.gz	KDHMTXRMIYWFIO-UHFFFAOYSA-N	0	1	342.399	3.555	50	5		EHBAMN
O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC[C@@H]3C(F)(F)F)nc2c1	ZINC000124414524	564138042	/nfs/dbraw/zinc/13/80/42/564138042.db2.gz	RWUSNRXKSNUGNO-QWRGUYRKSA-N	0	1	343.305	3.947	50	5		EHBAMN
Cc1cc(NCc2nccn2C(F)F)c2cc([N+](=O)[O-])ccc2n1	ZINC000096008432	564144636	/nfs/dbraw/zinc/14/46/36/564144636.db2.gz	KVXQHILVPIKYRF-UHFFFAOYSA-N	0	1	333.298	3.655	50	5		EHBAMN
CN(C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccsc1	ZINC000040153562	564168430	/nfs/dbraw/zinc/16/84/30/564168430.db2.gz	BBHGOBHXUWWGOA-INIZCTEOSA-N	0	1	342.424	3.919	50	5		EHBAMN
CC(C)c1ccc(CN[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-]	ZINC000075783576	564092913	/nfs/dbraw/zinc/09/29/13/564092913.db2.gz	PTMJWLISJRQNAY-INIZCTEOSA-N	0	1	328.416	3.619	50	5		EHBAMN
O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC[C@H]3C(F)(F)F)nc2c1	ZINC000124414957	564138015	/nfs/dbraw/zinc/13/80/15/564138015.db2.gz	RWUSNRXKSNUGNO-MNOVXSKESA-N	0	1	343.305	3.947	50	5		EHBAMN
COc1cc(/C=C/c2ccc3cccc(O)c3n2)cc([N+](=O)[O-])c1O	ZINC000036057473	213058894	/nfs/dbraw/zinc/05/88/94/213058894.db2.gz	IYLMLDPAYYLONF-FNORWQNLSA-N	0	1	338.319	3.733	50	5		EHBAMN
CC(C)CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1	ZINC000048364336	564031563	/nfs/dbraw/zinc/03/15/63/564031563.db2.gz	AQGPTCWCRCWJKO-UHFFFAOYSA-N	0	1	330.388	3.655	50	5		EHBAMN
Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000476799	564006145	/nfs/dbraw/zinc/00/61/45/564006145.db2.gz	PWVKNVYIUGRSLV-UHFFFAOYSA-N	0	1	334.397	3.827	50	5		EHBAMN
Cc1ccc(-c2nc(CNCc3cc(O)ccc3[N+](=O)[O-])co2)cc1	ZINC000089641200	564112843	/nfs/dbraw/zinc/11/28/43/564112843.db2.gz	CTKCXYGHTGWMFQ-UHFFFAOYSA-N	0	1	339.351	3.554	50	5		EHBAMN
O=[N+]([O-])c1ccc(CN2CC=C(c3ccnc4[nH]ccc43)CC2)cc1	ZINC000095462502	564140831	/nfs/dbraw/zinc/14/08/31/564140831.db2.gz	XFISPBHUWCIJFL-UHFFFAOYSA-N	0	1	334.379	3.760	50	5		EHBAMN
O=c1oc2ccc(Cl)cc2cc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000020615298	212155880	/nfs/dbraw/zinc/15/58/80/212155880.db2.gz	HUXLULNFTZUEEQ-UHFFFAOYSA-N	0	1	341.710	3.898	50	5		EHBAMN
COc1ccccc1NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004749434	210268380	/nfs/dbraw/zinc/26/83/80/210268380.db2.gz	XQJUSJYGLQLJSZ-UHFFFAOYSA-N	0	1	341.411	3.680	50	5		EHBAMN
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000047248320	564025980	/nfs/dbraw/zinc/02/59/80/564025980.db2.gz	GMHQFGHREYXNBA-OCCSQVGLSA-N	0	1	339.376	3.567	50	5		EHBAMN
Cc1cccc(CSc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1	ZINC000003148432	564155472	/nfs/dbraw/zinc/15/54/72/564155472.db2.gz	GBLPQARGZCONDI-UHFFFAOYSA-N	0	1	326.381	3.981	50	5		EHBAMN
CC(C)[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1	ZINC000058138719	564157720	/nfs/dbraw/zinc/15/77/20/564157720.db2.gz	JPMRTAZVWXOANF-INIZCTEOSA-N	0	1	334.397	3.872	50	5		EHBAMN
C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]12	ZINC000051765946	214103167	/nfs/dbraw/zinc/10/31/67/214103167.db2.gz	NWUJOMYKIVREAM-XWIAVFTESA-N	0	1	346.427	3.862	50	5		EHBAMN
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2ccccc21	ZINC000008126833	564162893	/nfs/dbraw/zinc/16/28/93/564162893.db2.gz	DUPPJMYJNFPBBF-SFHVURJKSA-N	0	1	339.395	3.543	50	5		EHBAMN
CC(C)N(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000070919448	564174521	/nfs/dbraw/zinc/17/45/21/564174521.db2.gz	QLKVSLLEFCLHQH-UHFFFAOYSA-N	0	1	338.367	3.522	50	5		EHBAMN
CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1	ZINC000053143382	214166841	/nfs/dbraw/zinc/16/68/41/214166841.db2.gz	MIHBUMPKVCRARR-SFHVURJKSA-N	0	1	342.395	3.948	50	5		EHBAMN
COc1cc(CNc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1O	ZINC000035335424	213022042	/nfs/dbraw/zinc/02/20/42/213022042.db2.gz	WXGLNXXETMPFBC-UHFFFAOYSA-N	0	1	326.711	3.714	50	5		EHBAMN
COc1ccc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000040067045	213256314	/nfs/dbraw/zinc/25/63/14/213256314.db2.gz	QHHFZWKEDLFGJP-KRWDZBQOSA-N	0	1	342.395	3.949	50	5		EHBAMN
Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1-c1cccc(Cl)c1	ZINC000001400720	564064980	/nfs/dbraw/zinc/06/49/80/564064980.db2.gz	YQXGYLGOUOFKMJ-UHFFFAOYSA-N	0	1	329.743	3.703	50	5		EHBAMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000104225883	219363025	/nfs/dbraw/zinc/36/30/25/219363025.db2.gz	UAQXECLUCCIJFV-UHFFFAOYSA-N	0	1	338.663	3.808	50	5		EHBAMN
O=[N+]([O-])c1cccnc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000013658468	563931466	/nfs/dbraw/zinc/93/14/66/563931466.db2.gz	JJQVFBQSJCZUGQ-UHFFFAOYSA-N	0	1	333.760	3.580	50	5		EHBAMN
COc1ccc(-c2cnc(NCc3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000000819157	564035249	/nfs/dbraw/zinc/03/52/49/564035249.db2.gz	OAFXRSOWXKMIQA-UHFFFAOYSA-N	0	1	338.367	3.616	50	5		EHBAMN
O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1	ZINC000017245764	564011472	/nfs/dbraw/zinc/01/14/72/564011472.db2.gz	UVLMIKAQIAXZPT-UHFFFAOYSA-N	0	1	348.318	3.983	50	5		EHBAMN
COc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000007719481	564122217	/nfs/dbraw/zinc/12/22/17/564122217.db2.gz	XPIFXAFLTFFHOJ-SFHVURJKSA-N	0	1	342.395	3.949	50	5		EHBAMN
CCOc1cc(C)ccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000225409506	564134436	/nfs/dbraw/zinc/13/44/36/564134436.db2.gz	DHQRPKHZKBCQBA-ZDUSSCGKSA-N	0	1	329.400	3.735	50	5		EHBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	ZINC000003874496	210082590	/nfs/dbraw/zinc/08/25/90/210082590.db2.gz	RJMUSRYZPJIFPJ-UHFFFAOYSA-N	0	1	327.123	3.860	50	5	aggregator,world	EHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1	ZINC000000335648	563991305	/nfs/dbraw/zinc/99/13/05/563991305.db2.gz	UPAOZTLUVBPHPR-UHFFFAOYSA-N	0	1	328.349	3.549	50	5		EHBAMN
COc1ccccc1C1CCN(c2cc(O)ccc2[N+](=O)[O-])CC1	ZINC000020458771	564140399	/nfs/dbraw/zinc/14/03/99/564140399.db2.gz	IBRQZDLXVHXVGY-UHFFFAOYSA-N	0	1	328.368	3.693	50	5		EHBAMN
COc1ccc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000040067047	213256985	/nfs/dbraw/zinc/25/69/85/213256985.db2.gz	QHHFZWKEDLFGJP-QGZVFWFLSA-N	0	1	342.395	3.949	50	5		EHBAMN
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(F)c1	ZINC000000819097	564035261	/nfs/dbraw/zinc/03/52/61/564035261.db2.gz	VNEVUJNXBPWGAS-UHFFFAOYSA-N	0	1	326.331	3.747	50	5		EHBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000002141591	564119355	/nfs/dbraw/zinc/11/93/55/564119355.db2.gz	HQJCJSABSGTEQJ-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@@H]12	ZINC000241470638	564122821	/nfs/dbraw/zinc/12/28/21/564122821.db2.gz	NWUJOMYKIVREAM-BVGQSLNGSA-N	0	1	346.427	3.862	50	5		EHBAMN
C[C@@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004117520	564160627	/nfs/dbraw/zinc/16/06/27/564160627.db2.gz	RLTJMSYXAHMHKI-OAHLLOKOSA-N	0	1	340.427	3.520	50	5		EHBAMN
CC(C)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1	ZINC000036394925	213096865	/nfs/dbraw/zinc/09/68/65/213096865.db2.gz	YYZHFQLIAACNKG-CQSZACIVSA-N	0	1	344.396	3.660	50	5		EHBAMN
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000047248323	564025971	/nfs/dbraw/zinc/02/59/71/564025971.db2.gz	GMHQFGHREYXNBA-GXTWGEPZSA-N	0	1	339.376	3.567	50	5		EHBAMN
COc1ccc(OC)c([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000012981161	564135760	/nfs/dbraw/zinc/13/57/60/564135760.db2.gz	UWHLUMUMRNYUQC-GOSISDBHSA-N	0	1	342.395	3.949	50	5		EHBAMN
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(F)cc1F	ZINC000004678461	210243877	/nfs/dbraw/zinc/24/38/77/210243877.db2.gz	GUNACSZIUBLRNR-UHFFFAOYSA-N	0	1	344.321	3.886	50	5		EHBAMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000004148264	210132190	/nfs/dbraw/zinc/13/21/90/210132190.db2.gz	IIBIDMQMPLQCBT-UHFFFAOYSA-N	0	1	328.349	3.549	50	5		EHBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1	ZINC000006919712	564101379	/nfs/dbraw/zinc/10/13/79/564101379.db2.gz	DNAKZVMRNXAETE-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
COc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000007719482	564122234	/nfs/dbraw/zinc/12/22/34/564122234.db2.gz	XPIFXAFLTFFHOJ-GOSISDBHSA-N	0	1	342.395	3.949	50	5		EHBAMN
CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21	ZINC000029484324	564153536	/nfs/dbraw/zinc/15/35/36/564153536.db2.gz	YREOGOHGCDNAAS-GOSISDBHSA-N	0	1	340.379	3.581	50	5		EHBAMN
CC1CCC(N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1	ZINC000051802042	214104338	/nfs/dbraw/zinc/10/43/38/214104338.db2.gz	TTZYBAAOSNIGOJ-UHFFFAOYSA-N	0	1	330.388	3.655	50	5		EHBAMN
CCCCN1CCC[C@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C	ZINC000004698378	210252122	/nfs/dbraw/zinc/25/21/22/210252122.db2.gz	KFRNQIBSBJPMSR-HNNXBMFYSA-N	0	1	333.432	3.723	50	5		EHBAMN
O=[N+]([O-])c1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1Cl	ZINC000021085101	212204141	/nfs/dbraw/zinc/20/41/41/212204141.db2.gz	IMYRAKNYVMMXFX-MRXNPFEDSA-N	0	1	327.771	3.965	50	5		EHBAMN
O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3O)n[nH]2)cc1F	ZINC000194589463	564121672	/nfs/dbraw/zinc/12/16/72/564121672.db2.gz	BISJLRONJGUKJZ-UHFFFAOYSA-N	0	1	346.343	3.517	50	5		EHBAMN
Cc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1[N+](=O)[O-]	ZINC000069711130	563644408	/nfs/dbraw/zinc/64/44/08/563644408.db2.gz	WYHWAUDXAINASF-UHFFFAOYSA-N	0	1	340.427	3.578	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310275	563947512	/nfs/dbraw/zinc/94/75/12/563947512.db2.gz	IFIICLFNJKGRAU-ZFWWWQNUSA-N	0	1	342.399	3.657	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310275	563947513	/nfs/dbraw/zinc/94/75/13/563947513.db2.gz	IFIICLFNJKGRAU-ZFWWWQNUSA-N	0	1	342.399	3.657	50	5		EHBAMN
O=[N+]([O-])c1ccccc1OCCSc1nc(-c2cccs2)n[nH]1	ZINC000048354223	564031360	/nfs/dbraw/zinc/03/13/60/564031360.db2.gz	OXZPQHQTEYESJQ-UHFFFAOYSA-N	0	1	348.409	3.613	50	5		EHBAMN
CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21	ZINC000029484326	564153528	/nfs/dbraw/zinc/15/35/28/564153528.db2.gz	YREOGOHGCDNAAS-SFHVURJKSA-N	0	1	340.379	3.581	50	5		EHBAMN
CC(C)N(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000010929467	211196160	/nfs/dbraw/zinc/19/61/60/211196160.db2.gz	TWGFMJMDKGQTNK-UHFFFAOYSA-N	0	1	342.395	3.872	50	5		EHBAMN
Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc([N+](=O)[O-])c1	ZINC000000819110	564035251	/nfs/dbraw/zinc/03/52/51/564035251.db2.gz	FUVXZVJJSJOUJI-UHFFFAOYSA-N	0	1	326.331	3.747	50	5		EHBAMN
CN(C)[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	ZINC000012553309	564059264	/nfs/dbraw/zinc/05/92/64/564059264.db2.gz	JTIOVWRQPWGUFP-ZDUSSCGKSA-N	0	1	343.305	3.921	50	5		EHBAMN
O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCC[C@H]3C(F)(F)F)nc2c1	ZINC000124414742	564138073	/nfs/dbraw/zinc/13/80/73/564138073.db2.gz	RWUSNRXKSNUGNO-GHMZBOCLSA-N	0	1	343.305	3.947	50	5		EHBAMN
CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccs1	ZINC000036394924	213096775	/nfs/dbraw/zinc/09/67/75/213096775.db2.gz	YYZHFQLIAACNKG-AWEZNQCLSA-N	0	1	344.396	3.660	50	5		EHBAMN
O=[N+]([O-])c1cc(CNC2(c3ccc(F)cc3)CCOCC2)cs1	ZINC000071886844	563387694	/nfs/dbraw/zinc/38/76/94/563387694.db2.gz	GWNXGPHAQKWHSZ-UHFFFAOYSA-N	0	1	336.388	3.591	50	5		EHBAMN
O=[N+]([O-])c1ccccc1CNC1(c2ccc(F)cc2)CCOCC1	ZINC000071886831	563387725	/nfs/dbraw/zinc/38/77/25/563387725.db2.gz	ZYAFEMRNIAQTBR-UHFFFAOYSA-N	0	1	330.359	3.529	50	5		EHBAMN
Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)cc1C	ZINC000005372023	564005947	/nfs/dbraw/zinc/00/59/47/564005947.db2.gz	XSBUEFSYAQWZFZ-UHFFFAOYSA-N	0	1	344.352	3.575	50	5		EHBAMN
Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1-c1ccc(Cl)cc1	ZINC000001400715	564064977	/nfs/dbraw/zinc/06/49/77/564064977.db2.gz	KAXSAZSEJCXDQN-UHFFFAOYSA-N	0	1	329.743	3.703	50	5		EHBAMN
CCOc1cc(C)ccc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000225409466	564134463	/nfs/dbraw/zinc/13/44/63/564134463.db2.gz	DHQRPKHZKBCQBA-CYBMUJFWSA-N	0	1	329.400	3.735	50	5		EHBAMN
CC(C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000058218438	564158116	/nfs/dbraw/zinc/15/81/16/564158116.db2.gz	OJYUSTPAISZXBM-UHFFFAOYSA-N	0	1	347.802	3.712	50	5		EHBAMN
COc1c([N+](=O)[O-])ccc(CNCc2cccs2)c1OC(F)F	ZINC000048367103	213932442	/nfs/dbraw/zinc/93/24/42/213932442.db2.gz	TTYKASWGIIBBOA-UHFFFAOYSA-N	0	1	344.339	3.556	50	5		EHBAMN
CC(C)(C)C[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000084169749	564067129	/nfs/dbraw/zinc/06/71/29/564067129.db2.gz	HGBSHNRLBKNJNQ-LBPRGKRZSA-N	0	1	330.388	3.512	50	5		EHBAMN
CCOc1cc2c(cc1OCC)[C@H](c1ccc([N+](=O)[O-])cc1)NCC2	ZINC000020507018	212141282	/nfs/dbraw/zinc/14/12/82/212141282.db2.gz	XHXUPIZCAFUAFZ-IBGZPJMESA-N	0	1	342.395	3.627	50	5		EHBAMN
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCc4ccc(F)cc43)CC2)cc1	ZINC000072313260	563929498	/nfs/dbraw/zinc/92/94/98/563929498.db2.gz	IZWCNOSVQAYGMD-LJQANCHMSA-N	0	1	341.386	3.543	50	5		EHBAMN
COC(=O)c1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016419934	564085974	/nfs/dbraw/zinc/08/59/74/564085974.db2.gz	XZAJIRTXLBBQFS-CYBMUJFWSA-N	0	1	328.368	3.574	50	5		EHBAMN
COc1cc(CNc2ccc(-c3cnco3)cc2)cc([N+](=O)[O-])c1O	ZINC000089424146	564090561	/nfs/dbraw/zinc/09/05/61/564090561.db2.gz	OZBNTHSCHZCQTG-UHFFFAOYSA-N	0	1	341.323	3.576	50	5		EHBAMN
C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1-n1cccn1	ZINC000328586361	564136444	/nfs/dbraw/zinc/13/64/44/564136444.db2.gz	BAJHFWNJMOCHAM-CYBMUJFWSA-N	0	1	340.358	3.770	50	5		EHBAMN
CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21	ZINC000008126831	564162864	/nfs/dbraw/zinc/16/28/64/564162864.db2.gz	DUPPJMYJNFPBBF-GOSISDBHSA-N	0	1	339.395	3.543	50	5		EHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000000223806	563988815	/nfs/dbraw/zinc/98/88/15/563988815.db2.gz	CESKQHYZASUISQ-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004842607	210296471	/nfs/dbraw/zinc/29/64/71/210296471.db2.gz	ANUOLFWEGAWLKV-UHFFFAOYSA-N	0	1	338.772	3.685	50	5		EHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000004739954	210266070	/nfs/dbraw/zinc/26/60/70/210266070.db2.gz	KVFYLHIWYKOHQC-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1O	ZINC000004300057	210164233	/nfs/dbraw/zinc/16/42/33/210164233.db2.gz	UYZONCZYCWUZBV-UHFFFAOYSA-N	0	1	326.230	3.572	50	5		EHBAMN
O=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1	ZINC000000073216	563973642	/nfs/dbraw/zinc/97/36/42/563973642.db2.gz	OLIVDXDYWYPSHJ-IZZDOVSWSA-N	0	1	333.687	3.529	50	5		EHBAMN
Cc1ccc(CSc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)cc1	ZINC000003148428	564155450	/nfs/dbraw/zinc/15/54/50/564155450.db2.gz	PHUOZAMUEVNFCT-UHFFFAOYSA-N	0	1	326.381	3.981	50	5		EHBAMN
CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1	ZINC000053143385	214166286	/nfs/dbraw/zinc/16/62/86/214166286.db2.gz	MIHBUMPKVCRARR-GOSISDBHSA-N	0	1	342.395	3.948	50	5		EHBAMN
COc1ccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc1	ZINC000004678583	210243918	/nfs/dbraw/zinc/24/39/18/210243918.db2.gz	PYIZANBIZACIOU-UHFFFAOYSA-N	0	1	338.367	3.616	50	5		EHBAMN
CC1CCN(c2ccc(CNCc3cccc([N+](=O)[O-])c3)cn2)CC1	ZINC000061074914	563992605	/nfs/dbraw/zinc/99/26/05/563992605.db2.gz	XVFBCKKBPOJUQJ-UHFFFAOYSA-N	0	1	340.427	3.516	50	5		EHBAMN
O=C1CCCC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)n1ncnc1N2	ZINC000102672332	219221564	/nfs/dbraw/zinc/22/15/64/219221564.db2.gz	MGTCZVTZBREPJX-AWEZNQCLSA-N	0	1	345.746	3.511	50	5		EHBAMN
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000072578074	216277495	/nfs/dbraw/zinc/27/74/95/216277495.db2.gz	AXJCARHWAGSXGD-ZDUSSCGKSA-N	0	1	349.431	3.645	50	5		EHBAMN
O=[N+]([O-])c1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1Cl	ZINC000021085098	212204517	/nfs/dbraw/zinc/20/45/17/212204517.db2.gz	IMYRAKNYVMMXFX-INIZCTEOSA-N	0	1	327.771	3.965	50	5		EHBAMN
COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1O	ZINC000004582386	210226328	/nfs/dbraw/zinc/22/63/28/210226328.db2.gz	VIOLPSJWXSBLRV-UHFFFAOYSA-N	0	1	338.319	3.715	50	5		EHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3ccccc32)c1	ZINC000003877696	210082428	/nfs/dbraw/zinc/08/24/28/210082428.db2.gz	WIFWFLHGNPQTSE-UHFFFAOYSA-N	0	1	328.349	3.549	50	5		EHBAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1	ZINC000004865380	210305815	/nfs/dbraw/zinc/30/58/15/210305815.db2.gz	ZIHWGAIUGNNWJP-UHFFFAOYSA-N	0	1	340.788	3.666	50	5		EHBAMN
O=[N+]([O-])c1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Cl	ZINC000004990297	210352847	/nfs/dbraw/zinc/35/28/47/210352847.db2.gz	STMMJRFZWSLONJ-UHFFFAOYSA-N	0	1	345.830	3.566	50	5		EHBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1	ZINC000000449834	563999604	/nfs/dbraw/zinc/99/96/04/563999604.db2.gz	PQKIMVCBRAJXGP-UHFFFAOYSA-N	0	1	328.349	3.549	50	5		EHBAMN
CC(C)(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000040555872	213350180	/nfs/dbraw/zinc/35/01/80/213350180.db2.gz	SGJFXEFJYZYRPA-OAHLLOKOSA-N	0	1	347.440	3.632	50	5		EHBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1	ZINC000004845496	210298040	/nfs/dbraw/zinc/29/80/40/210298040.db2.gz	OFDQHKLIWUWMGK-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCc4c3cccc4F)CC2)cc1	ZINC000072309391	563916701	/nfs/dbraw/zinc/91/67/01/563916701.db2.gz	WYGREZHMTFYIHD-IBGZPJMESA-N	0	1	341.386	3.543	50	5		EHBAMN
CCCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006502318	564091070	/nfs/dbraw/zinc/09/10/70/564091070.db2.gz	ZVXDIMPYTUIMBY-UHFFFAOYSA-N	0	1	334.397	3.738	50	5		EHBAMN
Cc1ccc([C@@H](C)NCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000095419987	218360448	/nfs/dbraw/zinc/36/04/48/218360448.db2.gz	QOQMDICVNQKKPB-OAHLLOKOSA-N	0	1	340.427	3.749	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310262	563947502	/nfs/dbraw/zinc/94/75/02/563947502.db2.gz	IFIICLFNJKGRAU-HIFRSBDPSA-N	0	1	342.399	3.657	50	5		EHBAMN
O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H]4CCCC[C@H]4C3)n2)cc1	ZINC000247310262	563947503	/nfs/dbraw/zinc/94/75/03/563947503.db2.gz	IFIICLFNJKGRAU-HIFRSBDPSA-N	0	1	342.399	3.657	50	5		EHBAMN
CC(C)(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000040555874	213350260	/nfs/dbraw/zinc/35/02/60/213350260.db2.gz	SGJFXEFJYZYRPA-HNNXBMFYSA-N	0	1	347.440	3.632	50	5		EHBAMN
Cc1ccc([C@H](C)NCc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000095419988	218360637	/nfs/dbraw/zinc/36/06/37/218360637.db2.gz	QOQMDICVNQKKPB-HNNXBMFYSA-N	0	1	340.427	3.749	50	5		EHBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl	ZINC000004966279	210342139	/nfs/dbraw/zinc/34/21/39/210342139.db2.gz	ZMCBAUPTUFDUJX-UHFFFAOYSA-N	0	1	347.179	3.702	50	5		EHBAMN
Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC(C)(C)CCc2ccccc21	ZINC000252494733	564119643	/nfs/dbraw/zinc/11/96/43/564119643.db2.gz	OCYVIUOIYFLYJL-OAHLLOKOSA-N	0	1	328.416	3.522	50	5		EHBAMN
COc1ccc(NC(=O)c2cc3ccccc3cc2O)c([N+](=O)[O-])c1	ZINC000003997694	210097679	/nfs/dbraw/zinc/09/76/79/210097679.db2.gz	IAYYUHKCMUERMO-UHFFFAOYSA-N	0	1	338.319	3.715	50	5		EHBAMN
Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	ZINC000055543292	132195785	/nfs/dbraw/zinc/19/57/85/132195785.db2.gz	ZJHSWCSBEBLEDN-UHFFFAOYSA-N	0	1	325.412	3.534	50	5		EHBAMN
O=[N+]([O-])c1ccc(Cc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000002842552	564152820	/nfs/dbraw/zinc/15/28/20/564152820.db2.gz	RNRSYAKKJIKONM-UHFFFAOYSA-N	0	1	332.703	3.624	50	5		EHBAMN
C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]12	ZINC000229750453	242196091	/nfs/dbraw/zinc/19/60/91/242196091.db2.gz	NWUJOMYKIVREAM-JEBQAFNWSA-N	0	1	346.427	3.862	50	5		EHBAMN
COC(=O)c1ccc2nc(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	ZINC000000144097	563987174	/nfs/dbraw/zinc/98/71/74/563987174.db2.gz	STQHBIBHBPJTNY-UHFFFAOYSA-N	0	1	337.335	3.982	50	5		EHBAMN
Cc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000005601123	564006258	/nfs/dbraw/zinc/00/62/58/564006258.db2.gz	DYCPBRSBQCOSMH-UHFFFAOYSA-N	0	1	326.381	3.981	50	5		EHBAMN
O=[N+]([O-])c1ccc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1	ZINC000075094564	564079965	/nfs/dbraw/zinc/07/99/65/564079965.db2.gz	LOEOMILVPDFVNP-UHFFFAOYSA-N	0	1	334.738	3.918	50	5		EHBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(C)cc1	ZINC000100848918	219108545	/nfs/dbraw/zinc/10/85/45/219108545.db2.gz	MRKIEWNFKOHLAN-QGZVFWFLSA-N	0	1	337.379	3.603	50	5		EHBAMN
Cc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1	ZINC000005687255	564018504	/nfs/dbraw/zinc/01/85/04/564018504.db2.gz	BJJFVMUIJISVBL-UHFFFAOYSA-N	0	1	342.380	3.510	50	5		EHBAMN
C/C(=C\c1ccccc1)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012342828	564135168	/nfs/dbraw/zinc/13/51/68/564135168.db2.gz	FUTKCIHHGAEIBO-BMRADRMJSA-N	0	1	337.423	3.820	50	5		EHBAMN
CCCCN1CCC[C@@H]1C(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C	ZINC000004698377	210251594	/nfs/dbraw/zinc/25/15/94/210251594.db2.gz	KFRNQIBSBJPMSR-OAHLLOKOSA-N	0	1	333.432	3.723	50	5		EHBAMN
C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]12	ZINC000241470639	564122857	/nfs/dbraw/zinc/12/28/57/564122857.db2.gz	NWUJOMYKIVREAM-FSPWUOQZSA-N	0	1	346.427	3.862	50	5		EHBAMN
COc1cccc(-c2cnc(NCc3cccc([N+](=O)[O-])c3)n2C)c1	ZINC000000819154	564034711	/nfs/dbraw/zinc/03/47/11/564034711.db2.gz	MCMKACYQVCVTBE-UHFFFAOYSA-N	0	1	338.367	3.616	50	5		EHBAMN
O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCCC[C@@H]3C(F)(F)F)nc2c1	ZINC000124414306	564138006	/nfs/dbraw/zinc/13/80/06/564138006.db2.gz	RWUSNRXKSNUGNO-WDEREUQCSA-N	0	1	343.305	3.947	50	5		EHBAMN
C[C@H](Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1	ZINC000004117519	564160644	/nfs/dbraw/zinc/16/06/44/564160644.db2.gz	RLTJMSYXAHMHKI-HNNXBMFYSA-N	0	1	340.427	3.520	50	5		EHBAMN
Cc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1	ZINC000003833375	210078868	/nfs/dbraw/zinc/07/88/68/210078868.db2.gz	LCRWBOYTBKXZLQ-UHFFFAOYSA-N	0	1	342.380	3.510	50	5		EHBAMN
Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])s3)o2)c(C)c1	ZINC000004479446	210197922	/nfs/dbraw/zinc/19/79/22/210197922.db2.gz	RPZGOARIDWGTRH-UHFFFAOYSA-N	0	1	344.352	3.575	50	5		EHBAMN
CN(C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccsc1	ZINC000040153563	213274075	/nfs/dbraw/zinc/27/40/75/213274075.db2.gz	BBHGOBHXUWWGOA-MRXNPFEDSA-N	0	1	342.424	3.919	50	5		EHBAMN
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCc4c3cccc4F)CC2)cc1	ZINC000072309392	563916667	/nfs/dbraw/zinc/91/66/67/563916667.db2.gz	WYGREZHMTFYIHD-LJQANCHMSA-N	0	1	341.386	3.543	50	5		EHBAMN
CCOc1cc2c(cc1OCC)[C@@H](c1ccc([N+](=O)[O-])cc1)NCC2	ZINC000020507020	212141022	/nfs/dbraw/zinc/14/10/22/212141022.db2.gz	XHXUPIZCAFUAFZ-LJQANCHMSA-N	0	1	342.395	3.627	50	5		EHBAMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)nc1	ZINC000005927167	564057044	/nfs/dbraw/zinc/05/70/44/564057044.db2.gz	BCVQZEZAEHNPQQ-UHFFFAOYSA-N	0	1	333.760	3.580	50	5		EHBAMN
CN(C)[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1	ZINC000012553312	564059267	/nfs/dbraw/zinc/05/92/67/564059267.db2.gz	JTIOVWRQPWGUFP-CYBMUJFWSA-N	0	1	343.305	3.921	50	5		EHBAMN
O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1[N+](=O)[O-]	ZINC000002765534	564152492	/nfs/dbraw/zinc/15/24/92/564152492.db2.gz	RCWKHGKMFRCHKH-UHFFFAOYSA-N	0	1	332.184	3.543	50	5		EHBAMN
CC(C)[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1	ZINC000058138727	564157741	/nfs/dbraw/zinc/15/77/41/564157741.db2.gz	JPMRTAZVWXOANF-MRXNPFEDSA-N	0	1	334.397	3.872	50	5		EHBAMN
C[C@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000266583589	564087919	/nfs/dbraw/zinc/08/79/19/564087919.db2.gz	IUSISFLAKBWPTO-CQSZACIVSA-N	0	1	327.384	3.594	50	5		EHBAMN
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000047248322	564025973	/nfs/dbraw/zinc/02/59/73/564025973.db2.gz	GMHQFGHREYXNBA-TZMCWYRMSA-N	0	1	339.376	3.567	50	5		EHBAMN
CC(C)c1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-]	ZINC000075783571	564092905	/nfs/dbraw/zinc/09/29/05/564092905.db2.gz	PTMJWLISJRQNAY-MRXNPFEDSA-N	0	1	328.416	3.619	50	5		EHBAMN