smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@H](F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000585133192	931027835	/nfs/dbraw/zinc/02/78/35/931027835.db2.gz	AIILPQCDILBKEV-CYBMUJFWSA-N	0	1	295.314	1.630	50	5		CDBAMN
CCOc1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1	ZINC000032933341	356461308	/nfs/dbraw/zinc/46/13/08/356461308.db2.gz	RHMGFXKVVWOSIG-NEPJUHHUSA-N	0	1	293.275	1.476	50	5		CDBAMN
O=[N+]([O-])c1ccccc1CN1CCC[C@H](CO)C1	ZINC000023114878	358037484	/nfs/dbraw/zinc/03/74/84/358037484.db2.gz	UDGNNSUSQFPLEM-NSHDSACASA-N	0	1	250.298	1.799	50	5		CDBAMN
CCN(C)c1ccccc1CNC(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000248269213	360480616	/nfs/dbraw/zinc/48/06/16/360480616.db2.gz	UVSWUELWOYFFON-WCQYABFASA-N	0	1	277.324	1.424	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1	ZINC000004333813	356267219	/nfs/dbraw/zinc/26/72/19/356267219.db2.gz	PYZXEPLLFDIQLF-UHFFFAOYSA-N	0	1	294.355	1.141	50	5		CDBAMN
Cc1ccc(OC[C@@H]2NCCS2)c([N+](=O)[O-])c1	ZINC000020219281	171081721	/nfs/dbraw/zinc/08/17/21/171081721.db2.gz	HVXRYXDBZBPEJL-LLVKDONJSA-N	0	1	254.311	1.945	50	5		CDBAMN
CCCO[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1	ZINC000241784815	369684802	/nfs/dbraw/zinc/68/48/02/369684802.db2.gz	RWYYMXCUPZFUMP-OUAUKWLOSA-N	0	1	256.302	1.069	50	5		CDBAMN
CCCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1	ZINC000002341609	373763748	/nfs/dbraw/zinc/76/37/48/373763748.db2.gz	SBZYJZQXPGLLLZ-UHFFFAOYSA-N	0	1	280.244	1.227	50	5		CDBAMN
O=[N+]([O-])c1ccsc1NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000108329609	412824912	/nfs/dbraw/zinc/82/49/12/412824912.db2.gz	DYMYCDDBKOLASH-VHSXEESVSA-N	0	1	283.353	1.931	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000012557550	273900120	/nfs/dbraw/zinc/90/01/20/273900120.db2.gz	WPRNWHLWGPQXIJ-UHFFFAOYSA-N	0	1	272.308	1.895	50	5		CDBAMN
COc1ccc(Nc2nc(NN)nc(C)c2[N+](=O)[O-])cc1	ZINC000013477246	365446508	/nfs/dbraw/zinc/44/65/08/365446508.db2.gz	DMUBBAGWJVZYLF-UHFFFAOYSA-N	0	1	290.283	1.153	50	5		CDBAMN
COC[C@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004133261	375889450	/nfs/dbraw/zinc/88/94/50/375889450.db2.gz	FPWSHRLBWOGOAC-VIFPVBQESA-N	0	1	284.312	1.737	50	5		CDBAMN
Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH]1	ZINC000097162512	545522313	/nfs/dbraw/zinc/52/23/13/545522313.db2.gz	RVTXWIUHNBGUMB-UHFFFAOYSA-N	0	1	281.659	1.927	50	5		CDBAMN
Cc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1	ZINC000097162512	545522316	/nfs/dbraw/zinc/52/23/16/545522316.db2.gz	RVTXWIUHNBGUMB-UHFFFAOYSA-N	0	1	281.659	1.927	50	5		CDBAMN
O=[N+]([O-])c1cccc(CS(=O)(=O)c2ncc[nH]2)c1	ZINC000178115743	362239018	/nfs/dbraw/zinc/23/90/18/362239018.db2.gz	NZMIQFOHYAKLMV-UHFFFAOYSA-N	0	1	267.266	1.292	50	5		CDBAMN
CN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000004977621	359983336	/nfs/dbraw/zinc/98/33/36/359983336.db2.gz	ZCKBBRCKFYVUCI-UHFFFAOYSA-N	0	1	279.296	1.071	50	5		CDBAMN
COC[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000004997336	170052166	/nfs/dbraw/zinc/05/21/66/170052166.db2.gz	PSFXBQOKVMDECA-MRVPVSSYSA-N	0	1	268.269	1.448	50	5		CDBAMN
COC(=O)Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000100129714	358820714	/nfs/dbraw/zinc/82/07/14/358820714.db2.gz	WPWBFDCVMKGIHE-UHFFFAOYSA-N	0	1	277.236	1.202	50	5		CDBAMN
Cc1cnn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)c1	ZINC000017022338	367007697	/nfs/dbraw/zinc/00/76/97/367007697.db2.gz	PQUKVGGCXJNBRV-UHFFFAOYSA-N	0	1	290.279	1.834	50	5		CDBAMN
O=C(Nc1nn[nH]n1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000002741770	375309174	/nfs/dbraw/zinc/30/91/74/375309174.db2.gz	GHIWEJDFSBLCBI-UHFFFAOYSA-N	0	1	268.620	1.014	50	5		CDBAMN
CNC(=O)CCN1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000088607994	391442927	/nfs/dbraw/zinc/44/29/27/391442927.db2.gz	BOQRWZPFICRCFC-UHFFFAOYSA-N	0	1	263.297	1.089	50	5		CDBAMN
Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000036284009	732429909	/nfs/dbraw/zinc/42/99/09/732429909.db2.gz	FIHIRTMLAHQAQD-UHFFFAOYSA-N	0	1	293.304	1.978	50	5		CDBAMN
C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000022078412	342088994	/nfs/dbraw/zinc/08/89/94/342088994.db2.gz	FTITUJQJYXKYKM-AAEUAGOBSA-N	0	1	291.351	1.969	50	5		CDBAMN
CCc1n[nH]c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])n1	ZINC000097047386	375141364	/nfs/dbraw/zinc/14/13/64/375141364.db2.gz	JQCREXYWXGETKP-UHFFFAOYSA-N	0	1	279.231	1.667	50	5		CDBAMN
O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCO1)OCO2	ZINC000057547106	256877650	/nfs/dbraw/zinc/87/76/50/256877650.db2.gz	FUUXOAIGISMBRU-JTQLQIEISA-N	0	1	280.280	1.592	50	5		CDBAMN
O=C(NCC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032796912	260145382	/nfs/dbraw/zinc/14/53/82/260145382.db2.gz	NVRZEQSDICGCOX-UHFFFAOYSA-N	0	1	288.185	1.763	50	5		CDBAMN
O=[N+]([O-])c1ccc(CN2CCC(OCCCO)CC2)cc1	ZINC000084398258	342262077	/nfs/dbraw/zinc/26/20/77/342262077.db2.gz	HSJWCWGGDQHNJY-UHFFFAOYSA-N	0	1	294.351	1.958	50	5		CDBAMN
Cc1ccc(C)n1C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000089652245	366900446	/nfs/dbraw/zinc/90/04/46/366900446.db2.gz	NYGUGGAEYFMVJZ-KBPBESRZSA-N	0	1	291.351	1.934	50	5		CDBAMN
CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC	ZINC000005923813	170155813	/nfs/dbraw/zinc/15/58/13/170155813.db2.gz	LRLFEGMYOBTSIO-UHFFFAOYSA-N	0	1	260.271	1.365	50	5		CDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](c2ccccc2)C1	ZINC000084525497	483285315	/nfs/dbraw/zinc/28/53/15/483285315.db2.gz	IOOHKUMRLSBHLM-UPJWGTAASA-N	0	1	260.293	1.668	50	5		CDBAMN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C3CC3)s2)n1	ZINC000002771017	375322240	/nfs/dbraw/zinc/32/22/40/375322240.db2.gz	GNVIQKDHNJIGIE-UHFFFAOYSA-N	0	1	294.296	1.310	50	5		CDBAMN
Cc1cc(=O)[nH]c(NC(=N)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000018107030	373989561	/nfs/dbraw/zinc/98/95/61/373989561.db2.gz	AJUMTJKQYYPVAK-UHFFFAOYSA-N	0	1	288.267	1.445	50	5		CDBAMN
C[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012812489	391620429	/nfs/dbraw/zinc/62/04/29/391620429.db2.gz	IQXLXCPFGHDUPW-JTQLQIEISA-N	0	1	277.324	1.926	50	5		CDBAMN
O=[N+]([O-])c1ccc2c(c1)nnn2CN1CCCCC1	ZINC000000297319	757301385	/nfs/dbraw/zinc/30/13/85/757301385.db2.gz	CUYCQRSCMSUBLW-UHFFFAOYSA-N	0	1	261.285	1.783	50	5		CDBAMN
Cc1cc(OCCN2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000020117879	356526315	/nfs/dbraw/zinc/52/63/15/356526315.db2.gz	ZSFOKJYVTQSSKV-UHFFFAOYSA-N	0	1	279.340	1.529	50	5		CDBAMN
Cc1ccc([N+](=O)[O-])c(OCCN2CCN(C)CC2)c1	ZINC000004842563	170029075	/nfs/dbraw/zinc/02/90/75/170029075.db2.gz	LCENFUGIKOOFAS-UHFFFAOYSA-N	0	1	279.340	1.529	50	5		CDBAMN
CCOC(=O)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C	ZINC000097604973	356218874	/nfs/dbraw/zinc/21/88/74/356218874.db2.gz	LKSAYEYKMGCGAU-UHFFFAOYSA-N	0	1	298.299	1.040	50	5		CDBAMN
Cc1cc(N2CCC[C@@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-]	ZINC000363607786	390945626	/nfs/dbraw/zinc/94/56/26/390945626.db2.gz	YFAUHQIZVRIPOI-SNVBAGLBSA-N	0	1	288.311	1.800	50	5		CDBAMN
CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004868846	170034272	/nfs/dbraw/zinc/03/42/72/170034272.db2.gz	MZWDLVGMOCMFGR-UHFFFAOYSA-N	0	1	265.313	1.221	50	5		CDBAMN
O=[N+]([O-])c1c(-c2ccccc2)n[nH]c1N1CCOCC1	ZINC000005532017	363303261	/nfs/dbraw/zinc/30/32/61/363303261.db2.gz	XSWURUBADDPXPM-UHFFFAOYSA-N	0	1	274.280	1.822	50	5		CDBAMN
O=C(NCc1ccc(Cl)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032931951	356459558	/nfs/dbraw/zinc/45/95/58/356459558.db2.gz	CPSBDKKLZGMSPM-UWVGGRQHSA-N	0	1	254.673	1.621	50	5		CDBAMN
Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000036297377	342060103	/nfs/dbraw/zinc/06/01/03/342060103.db2.gz	NSOBZEQTVMSDKT-UHFFFAOYSA-N	0	1	293.304	1.978	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	ZINC000004543479	356394416	/nfs/dbraw/zinc/39/44/16/356394416.db2.gz	HGWDCOBLBPWUHJ-UHFFFAOYSA-N	0	1	276.340	1.921	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1	ZINC000095349631	374886522	/nfs/dbraw/zinc/88/65/22/374886522.db2.gz	JDFFWDLFEARPMP-CHWSQXEVSA-N	0	1	292.339	1.025	50	5		CDBAMN
CCCOc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-]	ZINC000001843330	376155867	/nfs/dbraw/zinc/15/58/67/376155867.db2.gz	XGGXRCYRQWIEGS-UHFFFAOYSA-N	0	1	298.339	1.170	50	5		CDBAMN
CCc1ccc(C(=O)NCc2nnc[nH]2)cc1[N+](=O)[O-]	ZINC000089286495	376877424	/nfs/dbraw/zinc/87/74/24/376877424.db2.gz	SXFHIQATZVJSSI-UHFFFAOYSA-N	0	1	275.268	1.205	50	5		CDBAMN
O=C(NCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032931949	171764118	/nfs/dbraw/zinc/76/41/18/171764118.db2.gz	CPSBDKKLZGMSPM-ZJUUUORDSA-N	0	1	254.673	1.621	50	5		CDBAMN
CCCn1c(=O)c(=O)[nH]c2c(=O)oc3ccccc3c21	ZINC000009607175	276057894	/nfs/dbraw/zinc/05/78/94/276057894.db2.gz	YFNZNWIGQACQPT-UHFFFAOYSA-N	0	1	272.260	1.206	50	5		CDBAMN
O=[N+]([O-])c1cccnc1N1CCC[C@H](c2nc[nH]n2)C1	ZINC000096452910	357476785	/nfs/dbraw/zinc/47/67/85/357476785.db2.gz	MYMPQRFHXIVUJY-VIFPVBQESA-N	0	1	274.284	1.492	50	5		CDBAMN
O=[N+]([O-])c1cnc2c(c1)CN(Cc1cnc[nH]1)CC2	ZINC000390833629	374851569	/nfs/dbraw/zinc/85/15/69/374851569.db2.gz	KNJTURSGOQWFJP-UHFFFAOYSA-N	0	1	259.269	1.271	50	5		CDBAMN
CN1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000003258735	375608020	/nfs/dbraw/zinc/60/80/20/375608020.db2.gz	FEXDCJWLPVHOLH-QMMMGPOBSA-N	0	1	254.242	1.439	50	5		CDBAMN
Cc1ccc(OC[C@H]2NCCS2)cc1[N+](=O)[O-]	ZINC000020390607	171179289	/nfs/dbraw/zinc/17/92/89/171179289.db2.gz	PDQTWEZRPLDAPK-NSHDSACASA-N	0	1	254.311	1.945	50	5		CDBAMN
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000107065036	186158309	/nfs/dbraw/zinc/15/83/09/186158309.db2.gz	GOWHNEUOYWCWBS-KWCYVHTRSA-N	0	1	290.319	1.721	50	5		CDBAMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC1	ZINC000012984939	373915139	/nfs/dbraw/zinc/91/51/39/373915139.db2.gz	NDRSVPQWOUBYOW-UHFFFAOYSA-N	0	1	260.253	1.707	50	5		CDBAMN
COc1cc(CN2CCOCC2)cc([N+](=O)[O-])c1O	ZINC000004988388	170049698	/nfs/dbraw/zinc/04/96/98/170049698.db2.gz	AQNJKECETFJYOT-UHFFFAOYSA-N	0	1	268.269	1.141	50	5		CDBAMN
O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1CO	ZINC000023115257	358032451	/nfs/dbraw/zinc/03/24/51/358032451.db2.gz	RAIQBNQSSUCADQ-LBPRGKRZSA-N	0	1	250.298	1.942	50	5		CDBAMN
Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000018167998	374075235	/nfs/dbraw/zinc/07/52/35/374075235.db2.gz	DFXJQXNRQUMQRP-UHFFFAOYSA-N	0	1	278.293	1.996	50	5		CDBAMN
Cc1n[nH]c(SCC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000018167998	374075239	/nfs/dbraw/zinc/07/52/39/374075239.db2.gz	DFXJQXNRQUMQRP-UHFFFAOYSA-N	0	1	278.293	1.996	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(SCCO)c2)CC1	ZINC000004179838	375908851	/nfs/dbraw/zinc/90/88/51/375908851.db2.gz	UOXLQDAUEFLGBN-UHFFFAOYSA-N	0	1	297.380	1.431	50	5		CDBAMN
C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000022078419	342088879	/nfs/dbraw/zinc/08/88/79/342088879.db2.gz	FTITUJQJYXKYKM-WCQYABFASA-N	0	1	291.351	1.969	50	5		CDBAMN
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	ZINC000097022883	185153723	/nfs/dbraw/zinc/15/37/23/185153723.db2.gz	HQDKUIQVXGKNDV-APPZFPTMSA-N	0	1	290.279	1.964	50	5		CDBAMN
O=C(NCc1cccnc1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032152823	375897268	/nfs/dbraw/zinc/89/72/68/375897268.db2.gz	POIHUVJRBNJULA-UHFFFAOYSA-N	0	1	297.274	1.796	50	5		CDBAMN
C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000022078410	342088977	/nfs/dbraw/zinc/08/89/77/342088977.db2.gz	FTITUJQJYXKYKM-YPMHNXCESA-N	0	1	291.351	1.969	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)C2)ccc1[O-]	ZINC000016662693	356444795	/nfs/dbraw/zinc/44/47/95/356444795.db2.gz	PGWIVESVDPNWPU-JTQLQIEISA-N	0	1	252.270	1.257	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1[O-]	ZINC000016662693	356444797	/nfs/dbraw/zinc/44/47/97/356444797.db2.gz	PGWIVESVDPNWPU-JTQLQIEISA-N	0	1	252.270	1.257	50	5		CDBAMN
COCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000028027307	369957063	/nfs/dbraw/zinc/95/70/63/369957063.db2.gz	UJIOQBLIJVJVGC-UHFFFAOYSA-N	0	1	278.268	1.237	50	5		CDBAMN
CC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000088616518	366076409	/nfs/dbraw/zinc/07/64/09/366076409.db2.gz	OJCPKRJFDSSBHW-CYBMUJFWSA-N	0	1	250.298	1.724	50	5		CDBAMN
CC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000088616518	366076411	/nfs/dbraw/zinc/07/64/11/366076411.db2.gz	OJCPKRJFDSSBHW-CYBMUJFWSA-N	0	1	250.298	1.724	50	5		CDBAMN
Cc1ccnc(N2CC(N3CCCC3)C2)c1[N+](=O)[O-]	ZINC000585092812	362021491	/nfs/dbraw/zinc/02/14/91/362021491.db2.gz	OYBQAQLEAABRGS-UHFFFAOYSA-N	0	1	262.313	1.583	50	5		CDBAMN
CN1CCCN(Cc2ccc([N+](=O)[O-])s2)CC1	ZINC000000238896	359355419	/nfs/dbraw/zinc/35/54/19/359355419.db2.gz	GBHZSHONVQIEDE-UHFFFAOYSA-N	0	1	255.343	1.794	50	5		CDBAMN
Cc1cccc2c3nn4c(n[nH]c4=S)nc3[nH]c21	ZINC000004302674	326810934	/nfs/dbraw/zinc/81/09/34/326810934.db2.gz	NXZIAVPOLYCEIM-UHFFFAOYSA-N	0	1	256.294	1.751	50	5		CDBAMN
O=c1ccnc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]1	ZINC000089769894	712373784	/nfs/dbraw/zinc/37/37/84/712373784.db2.gz	HSDCQHZOSBIZRD-DAFODLJHSA-N	0	1	259.221	1.554	50	5		CDBAMN
CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004989038	170050045	/nfs/dbraw/zinc/05/00/45/170050045.db2.gz	JGDZLXJNCQPGMT-GQCTYLIASA-N	0	1	261.325	1.855	50	5		CDBAMN
N=C1NC(=O)C(Cc2cccc([N+](=O)[O-])c2)S1	ZINC000005649395	170123916	/nfs/dbraw/zinc/12/39/16/170123916.db2.gz	SYPXWTNWDSTSJP-QMMMGPOBSA-N	0	1	251.267	1.304	50	5		CDBAMN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000251977231	361823742	/nfs/dbraw/zinc/82/37/42/361823742.db2.gz	DTXBDFLFWSFQOT-GGZOMVNGSA-N	0	1	293.279	1.779	50	5		CDBAMN
CN(C)Cc1ccc(OC(=O)N(C)C)c([N+](=O)[O-])c1	ZINC000000187897	359263441	/nfs/dbraw/zinc/26/34/41/359263441.db2.gz	UKFQFXXEDHLNRJ-UHFFFAOYSA-N	0	1	267.285	1.717	50	5		CDBAMN
O=[N+]([O-])c1cccc(-c2ccc3n[nH]c(=S)n3n2)c1	ZINC000041631114	379424267	/nfs/dbraw/zinc/42/42/67/379424267.db2.gz	KFRLTTKJGVNSRS-UHFFFAOYSA-N	0	1	273.277	1.988	50	5		CDBAMN
COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1nnc[nH]1	ZINC000095455215	374953136	/nfs/dbraw/zinc/95/31/36/374953136.db2.gz	YJFPNHFBYZALSD-SSDOTTSWSA-N	0	1	291.267	1.673	50	5		CDBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C)C[N+](=O)[O-]	ZINC000000297236	359429681	/nfs/dbraw/zinc/42/96/81/359429681.db2.gz	MLRDEESSCJSTAE-SKDRFNHKSA-N	0	1	261.281	1.938	50	5		CDBAMN
Cc1ccc(OC[C@H]2NCCS2)c([N+](=O)[O-])c1	ZINC000020219282	171081698	/nfs/dbraw/zinc/08/16/98/171081698.db2.gz	HVXRYXDBZBPEJL-NSHDSACASA-N	0	1	254.311	1.945	50	5		CDBAMN
CC(C)(C)[C@H](NCc1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000096444989	526709021	/nfs/dbraw/zinc/70/90/21/526709021.db2.gz	LDKGRDCYJOHZQR-LLVKDONJSA-N	0	1	265.313	1.584	50	5		CDBAMN
O=[N+]([O-])c1cccc(CN2CCCC[C@H]2CO)c1	ZINC000023115284	358032323	/nfs/dbraw/zinc/03/23/23/358032323.db2.gz	JBWHIBOYYSKOES-ZDUSSCGKSA-N	0	1	250.298	1.942	50	5		CDBAMN
CN1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1	ZINC000004593351	390429579	/nfs/dbraw/zinc/42/95/79/390429579.db2.gz	UKMBHLNZJSXAEO-UHFFFAOYSA-N	0	1	272.308	1.895	50	5		CDBAMN
Cc1ccnc(NC[C@H](O)c2cnc[nH]2)c1[N+](=O)[O-]	ZINC000952883488	910455116	/nfs/dbraw/zinc/45/51/16/910455116.db2.gz	TZUFKHQTMYPFHJ-VIFPVBQESA-N	0	1	263.257	1.167	50	5		CDBAMN
CCN(CC)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003901110	169922662	/nfs/dbraw/zinc/92/26/62/169922662.db2.gz	DVRSXMIJEYOQSF-LBPRGKRZSA-N	0	1	291.307	1.569	50	5		CDBAMN
CCCN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	ZINC000012627732	170501571	/nfs/dbraw/zinc/50/15/71/170501571.db2.gz	DJNNNFRAYDQOLU-UHFFFAOYSA-N	0	1	289.339	1.775	50	5		CDBAMN
CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)[O-]	ZINC000038021967	174002293	/nfs/dbraw/zinc/00/22/93/174002293.db2.gz	SBLBSYSHWMDJTH-UHFFFAOYSA-N	0	1	266.297	1.934	50	5		CDBAMN
C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	ZINC000097022884	185153891	/nfs/dbraw/zinc/15/38/91/185153891.db2.gz	HQDKUIQVXGKNDV-CBAPKCEASA-N	0	1	290.279	1.964	50	5		CDBAMN
O=[N+]([O-])c1[nH]cnc1NNC(=S)Nc1ccccc1	ZINC000006161333	364014747	/nfs/dbraw/zinc/01/47/47/364014747.db2.gz	BLKMDWVEBVDYFX-UHFFFAOYSA-N	0	1	278.297	1.631	50	5		CDBAMN
O=C([O-])C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000037598069	369243404	/nfs/dbraw/zinc/24/34/04/369243404.db2.gz	SHEXURZABHONCC-UHFFFAOYSA-N	0	1	250.254	1.644	50	5		CDBAMN
NC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000004987190	170049272	/nfs/dbraw/zinc/04/92/72/170049272.db2.gz	SFTGNNSWLGSSMZ-NSHDSACASA-N	0	1	263.297	1.292	50	5		CDBAMN
CCCN(CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004988668	170049420	/nfs/dbraw/zinc/04/94/20/170049420.db2.gz	JPYKXDBPDQTHAK-UHFFFAOYSA-N	0	1	298.339	1.816	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1	ZINC000004182692	273900143	/nfs/dbraw/zinc/90/01/43/273900143.db2.gz	KYOGKWGGIMQUIL-UHFFFAOYSA-N	0	1	290.367	1.947	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)nc1	ZINC000096452905	357476928	/nfs/dbraw/zinc/47/69/28/357476928.db2.gz	CPSHAEKRBMQBLK-SECBINFHSA-N	0	1	274.284	1.492	50	5		CDBAMN
O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000011919895	304208173	/nfs/dbraw/zinc/20/81/73/304208173.db2.gz	MGZNHWUKOICZHV-MNOVXSKESA-N	0	1	288.263	1.006	50	5		CDBAMN
Cn1cnc([N+](=O)[O-])c1N1CCN(C2CCCC2)CC1	ZINC000032779327	356368447	/nfs/dbraw/zinc/36/84/47/356368447.db2.gz	AMKQUEYFPUFRBK-UHFFFAOYSA-N	0	1	279.344	1.393	50	5		CDBAMN
CCNc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-]	ZINC000019890384	374823403	/nfs/dbraw/zinc/82/34/03/374823403.db2.gz	LTTFSTAUASCREF-UHFFFAOYSA-N	0	1	294.355	1.141	50	5		CDBAMN
CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000004978422	170048240	/nfs/dbraw/zinc/04/82/40/170048240.db2.gz	IYPBEDSFOKZICE-UHFFFAOYSA-N	0	1	269.732	1.996	50	5		CDBAMN
CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000025051297	275941358	/nfs/dbraw/zinc/94/13/58/275941358.db2.gz	VYXQITKASVDRSK-UHFFFAOYSA-N	0	1	277.324	1.926	50	5		CDBAMN
O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CCCO1)OCO2	ZINC000057547109	256877616	/nfs/dbraw/zinc/87/76/16/256877616.db2.gz	FUUXOAIGISMBRU-SNVBAGLBSA-N	0	1	280.280	1.592	50	5		CDBAMN
O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1n[nH]c(C2CC2)n1	ZINC000095986604	185056564	/nfs/dbraw/zinc/05/65/64/185056564.db2.gz	ZRWXOMNUOMKTDC-UHFFFAOYSA-N	0	1	295.686	1.454	50	5		CDBAMN
CN(CCn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1	ZINC000097377174	356101464	/nfs/dbraw/zinc/10/14/64/356101464.db2.gz	IXLHTYWRZJXTJS-UHFFFAOYSA-N	0	1	279.275	1.457	50	5		CDBAMN
C[N@H+](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000097114580	357983579	/nfs/dbraw/zinc/98/35/79/357983579.db2.gz	GEMFNXCDMMDTBN-UHFFFAOYSA-N	0	1	299.714	1.987	50	5		CDBAMN
C[N@@H+](CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1	ZINC000097114580	357983581	/nfs/dbraw/zinc/98/35/81/357983581.db2.gz	GEMFNXCDMMDTBN-UHFFFAOYSA-N	0	1	299.714	1.987	50	5		CDBAMN
CCN(CC)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000019848348	359141617	/nfs/dbraw/zinc/14/16/17/359141617.db2.gz	ZRRXXXGBVDGATC-LBPRGKRZSA-N	0	1	291.307	1.569	50	5		CDBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C)C[N+](=O)[O-]	ZINC000000297234	359429849	/nfs/dbraw/zinc/42/98/49/359429849.db2.gz	MLRDEESSCJSTAE-CABZTGNLSA-N	0	1	261.281	1.938	50	5		CDBAMN
O=[N+]([O-])c1ccc(-c2nnc(Cn3cncn3)[nH]2)cc1	ZINC000026508053	370676618	/nfs/dbraw/zinc/67/66/18/370676618.db2.gz	BMSKWHLMNFLDFF-UHFFFAOYSA-N	0	1	271.240	1.020	50	5		CDBAMN
O=[N+]([O-])c1ccc(-c2n[nH]c(Cn3cncn3)n2)cc1	ZINC000026508053	370676621	/nfs/dbraw/zinc/67/66/21/370676621.db2.gz	BMSKWHLMNFLDFF-UHFFFAOYSA-N	0	1	271.240	1.020	50	5		CDBAMN
CSc1nn(CCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	ZINC000194577806	323553108	/nfs/dbraw/zinc/55/31/08/323553108.db2.gz	IASOXMRRXJSMSD-UHFFFAOYSA-N	0	1	296.308	1.281	50	5		CDBAMN
CC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000096461836	529702087	/nfs/dbraw/zinc/70/20/87/529702087.db2.gz	OJCPKRJFDSSBHW-ZDUSSCGKSA-N	0	1	250.298	1.724	50	5		CDBAMN
COC[C@@H](C)NCc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004133264	169936469	/nfs/dbraw/zinc/93/64/69/169936469.db2.gz	FPWSHRLBWOGOAC-SECBINFHSA-N	0	1	284.312	1.737	50	5		CDBAMN
C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000242302249	373211462	/nfs/dbraw/zinc/21/14/62/373211462.db2.gz	YQTMMHJVRSSAGY-RHYQMDGZSA-N	0	1	298.339	1.232	50	5		CDBAMN
Cc1n[nH]c(C2CN(c3cc(C)c([N+](=O)[O-])cn3)C2)n1	ZINC000904217717	626222287	/nfs/dbraw/zinc/22/22/87/626222287.db2.gz	OPSLXLVUHNYNRG-UHFFFAOYSA-N	0	1	274.284	1.329	50	5		CDBAMN
Cc1nc(C2CN(c3cc(C)c([N+](=O)[O-])cn3)C2)n[nH]1	ZINC000904217717	626222288	/nfs/dbraw/zinc/22/22/88/626222288.db2.gz	OPSLXLVUHNYNRG-UHFFFAOYSA-N	0	1	274.284	1.329	50	5		CDBAMN
Cc1ccnc(N2CC[C@H](N3CCC3)C2)c1[N+](=O)[O-]	ZINC000952883885	910459370	/nfs/dbraw/zinc/45/93/70/910459370.db2.gz	ZDSRDDPOJKANIA-NSHDSACASA-N	0	1	262.313	1.583	50	5		CDBAMN
COc1ccc(Nc2nc(O)cs2)c([N+](=O)[O-])c1	ZINC000018217732	374671448	/nfs/dbraw/zinc/67/14/48/374671448.db2.gz	IARFQDBDCIVICB-UHFFFAOYSA-N	0	1	267.266	1.645	50	5		CDBAMN
CCOCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000028027704	369953796	/nfs/dbraw/zinc/95/37/96/369953796.db2.gz	NBWAVYLJHDUBMJ-UHFFFAOYSA-N	0	1	292.295	1.628	50	5		CDBAMN
CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000055082792	374106146	/nfs/dbraw/zinc/10/61/46/374106146.db2.gz	UACONXXWPQMFNU-VMPITWQZSA-N	0	1	289.335	1.772	50	5		CDBAMN
N=C1NC(=O)C(Cc2cccc([N+](=O)[O-])c2)S1	ZINC000005649393	170124143	/nfs/dbraw/zinc/12/41/43/170124143.db2.gz	SYPXWTNWDSTSJP-MRVPVSSYSA-N	0	1	251.267	1.304	50	5		CDBAMN
C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000032796834	260145747	/nfs/dbraw/zinc/14/57/47/260145747.db2.gz	XLXNKSSEGLCDPV-MRVPVSSYSA-N	0	1	290.279	1.332	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](CO)C2)ccc1[O-]	ZINC000023280482	358657038	/nfs/dbraw/zinc/65/70/38/358657038.db2.gz	YWVCIBCGNOKLKZ-NSHDSACASA-N	0	1	266.297	1.505	50	5		CDBAMN
CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000094774142	374847033	/nfs/dbraw/zinc/84/70/33/374847033.db2.gz	RQYQGRFKCJRQNF-UHFFFAOYSA-N	0	1	253.277	1.481	50	5		CDBAMN
O=C(c1ncccc1O)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000097141354	545521054	/nfs/dbraw/zinc/52/10/54/545521054.db2.gz	YVCICCFFJYXQTI-UHFFFAOYSA-N	0	1	285.259	1.898	50	5		CDBAMN
Cn1c2ccccc2c2nn3c(n[nH]c3=S)nc21	ZINC000018190798	282603332	/nfs/dbraw/zinc/60/33/32/282603332.db2.gz	MILIAARETAWECT-UHFFFAOYSA-N	0	1	256.294	1.453	50	5		CDBAMN
Cc1nc(N2CCC(C)CC2)[nH]c(=O)c1[N+](=O)[O-]	ZINC000004951378	342089039	/nfs/dbraw/zinc/08/90/39/342089039.db2.gz	PDPGVDPYOXVZPA-UHFFFAOYSA-N	0	1	252.274	1.223	50	5		CDBAMN
O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000011919893	393045878	/nfs/dbraw/zinc/04/58/78/393045878.db2.gz	MGZNHWUKOICZHV-GHMZBOCLSA-N	0	1	288.263	1.006	50	5		CDBAMN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000251977234	367012453	/nfs/dbraw/zinc/01/24/53/367012453.db2.gz	DTXBDFLFWSFQOT-JFUSQASVSA-N	0	1	293.279	1.779	50	5		CDBAMN
CC(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1	ZINC000268469500	534868226	/nfs/dbraw/zinc/86/82/26/534868226.db2.gz	YJHXCFLSDDZNSU-UHFFFAOYSA-N	0	1	275.268	1.570	50	5		CDBAMN
CCOc1ccc(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1	ZINC000032933343	356461148	/nfs/dbraw/zinc/46/11/48/356461148.db2.gz	RHMGFXKVVWOSIG-VXGBXAGGSA-N	0	1	293.275	1.476	50	5		CDBAMN
O=[N+]([O-])c1cnccc1N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000089884898	366954828	/nfs/dbraw/zinc/95/48/28/366954828.db2.gz	IPEBKPFCGPZSBL-SECBINFHSA-N	0	1	274.284	1.492	50	5		CDBAMN
CCCO[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000241784814	369685253	/nfs/dbraw/zinc/68/52/53/369685253.db2.gz	RWYYMXCUPZFUMP-GMTAPVOTSA-N	0	1	256.302	1.069	50	5		CDBAMN
NC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000004715701	170004224	/nfs/dbraw/zinc/00/42/24/170004224.db2.gz	NCSSQJNANFQSJM-UHFFFAOYSA-N	0	1	263.297	1.292	50	5		CDBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccncc1	ZINC000073658975	372783450	/nfs/dbraw/zinc/78/34/50/372783450.db2.gz	HGUMWYZHNWQHIP-UHFFFAOYSA-N	0	1	259.221	1.948	50	5		CDBAMN
CC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032765433	171748925	/nfs/dbraw/zinc/74/89/25/171748925.db2.gz	LTSYJHMTISZKMV-ZETCQYMHSA-N	0	1	262.269	1.999	50	5		CDBAMN
O=[N+]([O-])c1cccc(-c2n[nH]c(Cn3cncn3)n2)c1	ZINC000040174609	174200185	/nfs/dbraw/zinc/20/01/85/174200185.db2.gz	SQGYRQRNTZPCFQ-UHFFFAOYSA-N	0	1	271.240	1.020	50	5		CDBAMN
Cn1c2ccccc2c2ccccc2/c(=N/O)c1=O	ZINC000065743306	294188732	/nfs/dbraw/zinc/18/87/32/294188732.db2.gz	QVRCJTODZXUHRW-PEZBUJJGSA-N	0	1	252.273	1.982	50	5	in-vitro	CDBAMN
COc1cc(/C=C2/SC(=N)NC2=O)cc([N+](=O)[O-])c1O	ZINC000019286719	358949486	/nfs/dbraw/zinc/94/94/86/358949486.db2.gz	ATLBYVIPVJMCPD-XBXARRHUSA-N	0	1	295.276	1.448	50	5		CDBAMN
COc1cc(CN2CCC[C@H](O)C2)cc([N+](=O)[O-])c1O	ZINC000016310454	370106582	/nfs/dbraw/zinc/10/65/82/370106582.db2.gz	ZZCQBVDHHFPMKV-JTQLQIEISA-N	0	1	282.296	1.266	50	5		CDBAMN
CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1	ZINC000038021804	174000825	/nfs/dbraw/zinc/00/08/25/174000825.db2.gz	GQTQZOPYEHALAC-UHFFFAOYSA-N	0	1	252.270	1.891	50	5		CDBAMN
O=[N+]([O-])c1ccccc1N1CCN(CCCCCO)CC1	ZINC000096026579	375050874	/nfs/dbraw/zinc/05/08/74/375050874.db2.gz	GNAVUVMQGHCSEL-UHFFFAOYSA-N	0	1	293.367	1.879	50	5		CDBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)cc1	ZINC000000221738	275037382	/nfs/dbraw/zinc/03/73/82/275037382.db2.gz	VMGWRBFEMCOCIV-UHFFFAOYSA-N	0	1	279.277	1.791	50	5		CDBAMN
C[S@](=O)CCNCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000095399865	374903243	/nfs/dbraw/zinc/90/32/43/374903243.db2.gz	ISVXXRQVSJURJW-QGZVFWFLSA-N	0	1	276.745	1.716	50	5		CDBAMN
CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000336652517	356226790	/nfs/dbraw/zinc/22/67/90/356226790.db2.gz	IMKAISKXGMJCSY-UHFFFAOYSA-N	0	1	285.108	1.810	50	5		CDBAMN
O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC(F)F	ZINC000184611096	189390792	/nfs/dbraw/zinc/39/07/92/189390792.db2.gz	MEUQSUOMMMTHNG-UHFFFAOYSA-N	0	1	280.252	1.279	50	5		CDBAMN
Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000005677456	170127208	/nfs/dbraw/zinc/12/72/08/170127208.db2.gz	MYDZRLWTEHOSAF-UHFFFAOYSA-N	0	1	293.308	1.752	50	5		CDBAMN
Cc1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000005677456	170127210	/nfs/dbraw/zinc/12/72/10/170127210.db2.gz	MYDZRLWTEHOSAF-UHFFFAOYSA-N	0	1	293.308	1.752	50	5		CDBAMN
Cc1nc(C)c([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1	ZINC000096486473	230381719	/nfs/dbraw/zinc/38/17/19/230381719.db2.gz	BNGQCRMEFJKAPV-ZCFIWIBFSA-N	0	1	295.324	1.882	50	5		CDBAMN
O=C1C2CCN(CC2)[C@H]1Cc1cc([N+](=O)[O-])ccc1O	ZINC000001516795	362205483	/nfs/dbraw/zinc/20/54/83/362205483.db2.gz	YPGYMQVZYNIXEW-LBPRGKRZSA-N	0	1	276.292	1.506	50	5		CDBAMN
O=C(Nc1nncs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003016640	295983021	/nfs/dbraw/zinc/98/30/21/295983021.db2.gz	BFXFLDBDGZXSDO-UHFFFAOYSA-N	0	1	295.236	1.607	50	5		CDBAMN
Cc1ccc(C(=O)N2CCCN(C)CC2)cc1[N+](=O)[O-]	ZINC000020479242	393147608	/nfs/dbraw/zinc/14/76/08/393147608.db2.gz	LKKORHLFFBBOJB-UHFFFAOYSA-N	0	1	277.324	1.681	50	5		CDBAMN
C[S@@](=O)CCNCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000095399864	374906775	/nfs/dbraw/zinc/90/67/75/374906775.db2.gz	ISVXXRQVSJURJW-KRWDZBQOSA-N	0	1	276.745	1.716	50	5		CDBAMN
C[C@H]1CCNC(=O)[C@H]1NCc1ccc([N+](=O)[O-])cc1	ZINC000193566676	278372674	/nfs/dbraw/zinc/37/26/74/278372674.db2.gz	CFRFHLPKYKUNBU-CABZTGNLSA-N	0	1	263.297	1.209	50	5		CDBAMN
C[C@H]1CCNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])cc1	ZINC000193566646	362953368	/nfs/dbraw/zinc/95/33/68/362953368.db2.gz	CFRFHLPKYKUNBU-JOYOIKCWSA-N	0	1	263.297	1.209	50	5		CDBAMN
O=C(Nc1nn[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000006505498	170208094	/nfs/dbraw/zinc/20/80/94/170208094.db2.gz	LXWPRNUNOUWFAO-UHFFFAOYSA-N	0	1	268.620	1.014	50	5		CDBAMN
C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1	ZINC000097235732	290030015	/nfs/dbraw/zinc/03/00/15/290030015.db2.gz	DIUUDTUGQXODFQ-UHFFFAOYSA-N	0	1	293.323	1.467	50	5		CDBAMN
C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C(C)(C)C1	ZINC000097235732	290030017	/nfs/dbraw/zinc/03/00/17/290030017.db2.gz	DIUUDTUGQXODFQ-UHFFFAOYSA-N	0	1	293.323	1.467	50	5		CDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H](c2ccccc2)C1	ZINC000084525498	483285391	/nfs/dbraw/zinc/28/53/91/483285391.db2.gz	IOOHKUMRLSBHLM-XQQFMLRXSA-N	0	1	260.293	1.668	50	5		CDBAMN
CCN(CC)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004991293	170051190	/nfs/dbraw/zinc/05/11/90/170051190.db2.gz	SAJLGYWTCZAPQD-UHFFFAOYSA-N	0	1	251.286	1.875	50	5		CDBAMN
Nc1ccc([N+](=O)[O-])cc1-c1n[nH]c(=S)[nH]c1=O	ZINC000004018158	371836115	/nfs/dbraw/zinc/83/61/15/371836115.db2.gz	ZKLLGDRMXXVNDF-UHFFFAOYSA-N	0	1	265.254	1.397	50	5		CDBAMN
O=[N+]([O-])c1cccnc1N1CCN(C2CCOCC2)CC1	ZINC000266992208	285165965	/nfs/dbraw/zinc/16/59/65/285165965.db2.gz	ANYJACQJKMLFIS-UHFFFAOYSA-N	0	1	292.339	1.291	50	5		CDBAMN
COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1O	ZINC000004838236	170026909	/nfs/dbraw/zinc/02/69/09/170026909.db2.gz	BPBMXUKMXJKJNY-NXEZZACHSA-N	0	1	296.323	1.918	50	5		CDBAMN
COC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032765436	171748999	/nfs/dbraw/zinc/74/89/99/171748999.db2.gz	HTAOQPVBLCUZKD-SSDOTTSWSA-N	0	1	278.268	1.236	50	5		CDBAMN
CC(=O)c1ccc(N2CC[N@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1	ZINC000381939115	570404318	/nfs/dbraw/zinc/40/43/18/570404318.db2.gz	TXQNTQHMIAZTRE-LBPRGKRZSA-N	0	1	275.308	1.692	50	5		CDBAMN
CC(=O)c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1	ZINC000381939115	570404322	/nfs/dbraw/zinc/40/43/22/570404322.db2.gz	TXQNTQHMIAZTRE-LBPRGKRZSA-N	0	1	275.308	1.692	50	5		CDBAMN
C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012812483	361184820	/nfs/dbraw/zinc/18/48/20/361184820.db2.gz	IQXLXCPFGHDUPW-SNVBAGLBSA-N	0	1	277.324	1.926	50	5		CDBAMN
Cc1nnc(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[nH]1	ZINC000103908390	364785723	/nfs/dbraw/zinc/78/57/23/364785723.db2.gz	MKOAQMPOOITJQG-WAYWQWQTSA-N	0	1	273.252	1.673	50	5		CDBAMN
Cc1n[nH]c(NC(=O)C=Cc2cccc([N+](=O)[O-])c2)n1	ZINC000103908390	364785726	/nfs/dbraw/zinc/78/57/26/364785726.db2.gz	MKOAQMPOOITJQG-WAYWQWQTSA-N	0	1	273.252	1.673	50	5		CDBAMN
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000011919892	393046348	/nfs/dbraw/zinc/04/63/48/393046348.db2.gz	MGZNHWUKOICZHV-WDEREUQCSA-N	0	1	288.263	1.006	50	5		CDBAMN
C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000032796835	260145445	/nfs/dbraw/zinc/14/54/45/260145445.db2.gz	XLXNKSSEGLCDPV-QMMMGPOBSA-N	0	1	290.279	1.332	50	5		CDBAMN
CCc1[nH]nc(C(=O)N2CCSCC[C@H]2C)c1[N+](=O)[O-]	ZINC000192937151	362723223	/nfs/dbraw/zinc/72/32/23/362723223.db2.gz	VEFICPSDPJYXLS-MRVPVSSYSA-N	0	1	298.368	1.848	50	5		CDBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C)C[N+](=O)[O-]	ZINC000100373888	185713766	/nfs/dbraw/zinc/71/37/66/185713766.db2.gz	MLRDEESSCJSTAE-BXKDBHETSA-N	0	1	261.281	1.938	50	5		CDBAMN
CCNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000004739194	358023603	/nfs/dbraw/zinc/02/36/03/358023603.db2.gz	YXOVQJWQCRKDNS-UHFFFAOYSA-N	0	1	264.329	1.778	50	5		CDBAMN
CCOC(=O)C(=O)Cc1cc(OC)ncc1[N+](=O)[O-]	ZINC000101132321	359237774	/nfs/dbraw/zinc/23/77/74/359237774.db2.gz	PAHPNPFDSJIXTJ-RUDMXATFSA-N	0	1	268.225	1.460	50	5		CDBAMN
O=c1ccnc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]1	ZINC000098053054	688182090	/nfs/dbraw/zinc/18/20/90/688182090.db2.gz	HSDCQHZOSBIZRD-RJRFIUFISA-N	0	1	259.221	1.554	50	5		CDBAMN
O=[N+]([O-])c1ccsc1NC[C@@H]1CN2CCC[C@@H]2CO1	ZINC000095986636	185056469	/nfs/dbraw/zinc/05/64/69/185056469.db2.gz	DYMYCDDBKOLASH-NXEZZACHSA-N	0	1	283.353	1.931	50	5		CDBAMN
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1O	ZINC000097032316	185156025	/nfs/dbraw/zinc/15/60/25/185156025.db2.gz	WPPYAELOOYAGNF-UHFFFAOYSA-N	0	1	296.670	1.940	50	5		CDBAMN
CCOc1ccc(C(=O)COC(=O)[C@H]2CC2[N+](=O)[O-])cc1	ZINC000032933342	356461076	/nfs/dbraw/zinc/46/10/76/356461076.db2.gz	RHMGFXKVVWOSIG-RYUDHWBXSA-N	0	1	293.275	1.476	50	5		CDBAMN
CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004990981	170050820	/nfs/dbraw/zinc/05/08/20/170050820.db2.gz	OKDWEXMXXCTNSG-UHFFFAOYSA-N	0	1	251.286	1.875	50	5		CDBAMN
NC(=O)[C@@H](F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000585133193	931027999	/nfs/dbraw/zinc/02/79/99/931027999.db2.gz	AIILPQCDILBKEV-ZDUSSCGKSA-N	0	1	295.314	1.630	50	5		CDBAMN
O=[N+]([O-])c1ccc2nc(CSc3c[nH]nn3)cn2c1	ZINC000098086772	358403196	/nfs/dbraw/zinc/40/31/96/358403196.db2.gz	PFHGPCRESWPZLK-UHFFFAOYSA-N	0	1	276.281	1.653	50	5		CDBAMN
O=C(NC1(c2nnc[nH]2)CCC1)c1csc([N+](=O)[O-])c1	ZINC000194283587	358514856	/nfs/dbraw/zinc/51/48/56/358514856.db2.gz	YXTTXDJIKPCBCZ-UHFFFAOYSA-N	0	1	293.308	1.584	50	5		CDBAMN
CCC[N@@H+](CCO)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000023281310	358657472	/nfs/dbraw/zinc/65/74/72/358657472.db2.gz	ZOAVJKSVTUEEKF-UHFFFAOYSA-N	0	1	284.312	1.513	50	5		CDBAMN
CCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1	ZINC000095287808	374877634	/nfs/dbraw/zinc/87/76/34/374877634.db2.gz	LCBICZIJFVXJMP-SNVBAGLBSA-N	0	1	290.283	1.379	50	5		CDBAMN
CCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000005065597	170063112	/nfs/dbraw/zinc/06/31/12/170063112.db2.gz	GPOMAORZQWKNPD-UHFFFAOYSA-N	0	1	279.340	1.611	50	5		CDBAMN
COc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000074938184	365924751	/nfs/dbraw/zinc/92/47/51/365924751.db2.gz	MKTFAOFIZMORTQ-UHFFFAOYSA-N	0	1	251.286	1.355	50	5		CDBAMN
O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1CO	ZINC000023115259	358032152	/nfs/dbraw/zinc/03/21/52/358032152.db2.gz	RAIQBNQSSUCADQ-GFCCVEGCSA-N	0	1	250.298	1.942	50	5		CDBAMN
CNc1ccc(CN[C@@H]2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000096402780	393178896	/nfs/dbraw/zinc/17/88/96/393178896.db2.gz	VJGLBYUFDBZPPA-LLVKDONJSA-N	0	1	278.312	1.005	50	5		CDBAMN
CC(C)OC(=O)C[C@H](N)c1ccccc1[N+](=O)[O-]	ZINC000020268540	393144714	/nfs/dbraw/zinc/14/47/14/393144714.db2.gz	PPDSCYOUHQUYRX-JTQLQIEISA-N	0	1	252.270	1.936	50	5		CDBAMN
Cc1ccnc(NC[C@@H](O)c2cnc[nH]2)c1[N+](=O)[O-]	ZINC000952883486	910456091	/nfs/dbraw/zinc/45/60/91/910456091.db2.gz	TZUFKHQTMYPFHJ-SECBINFHSA-N	0	1	263.257	1.167	50	5		CDBAMN
CCN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000054979090	373751934	/nfs/dbraw/zinc/75/19/34/373751934.db2.gz	BUIAMLUVBCIZLR-BQYQJAHWSA-N	0	1	289.335	1.772	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1	ZINC000095349629	374886092	/nfs/dbraw/zinc/88/60/92/374886092.db2.gz	JDFFWDLFEARPMP-OLZOCXBDSA-N	0	1	292.339	1.025	50	5		CDBAMN
O=C(NCc1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032152559	375898400	/nfs/dbraw/zinc/89/84/00/375898400.db2.gz	TXUDYFBTXSHVSM-UHFFFAOYSA-N	0	1	297.274	1.796	50	5		CDBAMN
CCN(CC)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004993583	170051481	/nfs/dbraw/zinc/05/14/81/170051481.db2.gz	TVLJLUCHRYRTKV-UHFFFAOYSA-N	0	1	251.286	1.875	50	5		CDBAMN
COc1cc(C=C2SC(=O)NC2=O)cc([N+](=O)[O-])c1O	ZINC000039780179	174173379	/nfs/dbraw/zinc/17/33/79/174173379.db2.gz	NUKUFIYNEFXNIP-YWEYNIOJSA-N	0	1	296.260	1.633	50	5		CDBAMN
O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2CO)c1	ZINC000023115286	358032509	/nfs/dbraw/zinc/03/25/09/358032509.db2.gz	JBWHIBOYYSKOES-CYBMUJFWSA-N	0	1	250.298	1.942	50	5		CDBAMN
CCN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000054992638	373756704	/nfs/dbraw/zinc/75/67/04/373756704.db2.gz	PKFLBUOTMDPGEA-VOTSOKGWSA-N	0	1	289.335	1.772	50	5		CDBAMN
CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000116268906	374461472	/nfs/dbraw/zinc/46/14/72/374461472.db2.gz	FKPIEGDOUDQGFH-UHFFFAOYSA-N	0	1	269.732	1.996	50	5		CDBAMN
CC(=O)Nc1nc(Sc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000030823061	375674890	/nfs/dbraw/zinc/67/48/90/375674890.db2.gz	GFBUWNISJRQABW-UHFFFAOYSA-N	0	1	279.281	1.823	50	5		CDBAMN
O=C([O-])[C@H]1Cc2nc[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000011919897	390917706	/nfs/dbraw/zinc/91/77/06/390917706.db2.gz	FZZIZIKYNJDVFZ-GHMZBOCLSA-N	0	1	288.263	1.006	50	5	biogenic	CDBAMN
NC(=O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004987010	170049542	/nfs/dbraw/zinc/04/95/42/170049542.db2.gz	FUISRMQQWUOIIV-HWKANZROSA-N	0	1	289.335	1.805	50	5		CDBAMN
CCOc1ccc(C(=O)COC(=O)[C@H]2CC2[N+](=O)[O-])cc1	ZINC000032933344	356461140	/nfs/dbraw/zinc/46/11/40/356461140.db2.gz	RHMGFXKVVWOSIG-NWDGAFQWSA-N	0	1	293.275	1.476	50	5		CDBAMN
O=C(c1ccn[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000188465534	357692354	/nfs/dbraw/zinc/69/23/54/357692354.db2.gz	NMUKJAVPOXATHS-UHFFFAOYSA-N	0	1	288.263	1.221	50	5		CDBAMN
O=C([O-])[C@H]1Cc2nc[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000011919899	390917673	/nfs/dbraw/zinc/91/76/73/390917673.db2.gz	FZZIZIKYNJDVFZ-MNOVXSKESA-N	0	1	288.263	1.006	50	5	biogenic	CDBAMN
O=[N+]([O-])c1ccsc1NC[C@H]1CN2CCC[C@@H]2CO1	ZINC000095986637	185056463	/nfs/dbraw/zinc/05/64/63/185056463.db2.gz	DYMYCDDBKOLASH-ZJUUUORDSA-N	0	1	283.353	1.931	50	5		CDBAMN
O=[N+]([O-])c1cnccc1N1CCC[C@H](c2nc[nH]n2)C1	ZINC000089884897	366954249	/nfs/dbraw/zinc/95/42/49/366954249.db2.gz	IPEBKPFCGPZSBL-VIFPVBQESA-N	0	1	274.284	1.492	50	5		CDBAMN
CC(C)[C@@H](CO)NCc1c(F)cccc1[N+](=O)[O-]	ZINC000097238088	351606061	/nfs/dbraw/zinc/60/60/61/351606061.db2.gz	OYBZEFWHNUNOEN-LLVKDONJSA-N	0	1	256.277	1.840	50	5		CDBAMN
C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000242302250	373212095	/nfs/dbraw/zinc/21/20/95/373212095.db2.gz	YQTMMHJVRSSAGY-WISYIIOYSA-N	0	1	298.339	1.232	50	5		CDBAMN
COc1cc(C[N@H+]2CCC[C@@H](CO)C2)cc([N+](=O)[O-])c1[O-]	ZINC000003110196	375541161	/nfs/dbraw/zinc/54/11/61/375541161.db2.gz	QJMOLLTYJFTKJN-SNVBAGLBSA-N	0	1	296.323	1.513	50	5		CDBAMN
CN1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1	ZINC000003258731	375608269	/nfs/dbraw/zinc/60/82/69/375608269.db2.gz	FEXDCJWLPVHOLH-MRVPVSSYSA-N	0	1	254.242	1.439	50	5		CDBAMN
CCN1CCN(c2cc(NC)cc([N+](=O)[O-])c2)CC1	ZINC000122709550	330381663	/nfs/dbraw/zinc/38/16/63/330381663.db2.gz	UPRLMEQCUIOPSB-UHFFFAOYSA-N	0	1	264.329	1.778	50	5		CDBAMN
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@H]1CC1[N+](=O)[O-]	ZINC000106526133	186125165	/nfs/dbraw/zinc/12/51/65/186125165.db2.gz	IPIPJZOAFRXSDW-NWANDNLSSA-N	0	1	297.314	1.952	50	5		CDBAMN
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000011919894	393046537	/nfs/dbraw/zinc/04/65/37/393046537.db2.gz	MGZNHWUKOICZHV-QWRGUYRKSA-N	0	1	288.263	1.006	50	5		CDBAMN
O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000084402992	483276056	/nfs/dbraw/zinc/27/60/56/483276056.db2.gz	WNSHMXRUSXDLTK-DGCLKSJQSA-N	0	1	286.291	1.358	50	5		CDBAMN
C[N@H+]1CCCN(c2cc(C(=O)[O-])c([N+](=O)[O-])cc2F)CC1	ZINC000050029570	1166619729	/nfs/dbraw/zinc/61/97/29/1166619729.db2.gz	SXCGGMFTWMKMAF-UHFFFAOYSA-N	0	1	297.286	1.574	50	5		CDBAMN
Cc1nn(C)c(N2CCC[C@@H](c3nc[nH]n3)C2)c1[N+](=O)[O-]	ZINC000096452901	230376375	/nfs/dbraw/zinc/37/63/75/230376375.db2.gz	XNACUHXZLWIFBS-SECBINFHSA-N	0	1	291.315	1.139	50	5		CDBAMN
CN1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000004990171	170050849	/nfs/dbraw/zinc/05/08/49/170050849.db2.gz	VMHLKFWMWNNDPB-UHFFFAOYSA-N	0	1	269.732	1.996	50	5		CDBAMN
O=C(N[C@H](c1ccccc1)c1ccccn1)[C@@H]1CC1[N+](=O)[O-]	ZINC000106526136	186125404	/nfs/dbraw/zinc/12/54/04/186125404.db2.gz	IPIPJZOAFRXSDW-BPLDGKMQSA-N	0	1	297.314	1.952	50	5		CDBAMN
O=[N+]([O-])c1ccc(NCCN2CCCOCC2)cc1	ZINC000188490187	376247035	/nfs/dbraw/zinc/24/70/35/376247035.db2.gz	ICSDRGQQUKMTSB-UHFFFAOYSA-N	0	1	265.313	1.729	50	5		CDBAMN
Cc1n[nH]cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000120083788	412175603	/nfs/dbraw/zinc/17/56/03/412175603.db2.gz	WKAVGRZFFNXQFV-UHFFFAOYSA-N	0	1	288.310	1.489	50	5		CDBAMN
O=C(NC[C@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032796721	260145691	/nfs/dbraw/zinc/14/56/91/260145691.db2.gz	OKLNXPNMSVTTLK-SECBINFHSA-N	0	1	290.279	1.380	50	5		CDBAMN
CC(=O)c1ccc(NCCc2n[nH]c(C)n2)c([N+](=O)[O-])c1	ZINC000089497121	359944205	/nfs/dbraw/zinc/94/42/05/359944205.db2.gz	IXCKFWWLMZNPKL-UHFFFAOYSA-N	0	1	289.295	1.879	50	5		CDBAMN
CC(=O)c1ccc(NCCc2nnc(C)[nH]2)c([N+](=O)[O-])c1	ZINC000089497121	359944208	/nfs/dbraw/zinc/94/42/08/359944208.db2.gz	IXCKFWWLMZNPKL-UHFFFAOYSA-N	0	1	289.295	1.879	50	5		CDBAMN
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNCC1	ZINC000032048703	375868533	/nfs/dbraw/zinc/86/85/33/375868533.db2.gz	IAQRXXUHSYFAQG-UHFFFAOYSA-N	0	1	269.688	1.294	50	5		CDBAMN
CCN1CCN(c2ccc3nsnc3c2[N+](=O)[O-])CC1	ZINC000003897563	391310656	/nfs/dbraw/zinc/31/06/56/391310656.db2.gz	KFJPFBFAOOXWNZ-UHFFFAOYSA-N	0	1	293.352	1.741	50	5		CDBAMN
COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1O	ZINC000004838234	170027106	/nfs/dbraw/zinc/02/71/06/170027106.db2.gz	BPBMXUKMXJKJNY-AOOOYVTPSA-N	0	1	296.323	1.918	50	5		CDBAMN
CC(C)[C@H](N)C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000038202252	174136803	/nfs/dbraw/zinc/13/68/03/174136803.db2.gz	USBVDPVTFGLYPZ-NSHDSACASA-N	0	1	252.270	1.621	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCCO)CC2)cc1	ZINC000024777606	358905605	/nfs/dbraw/zinc/90/56/05/358905605.db2.gz	XNDUOPXMERMAPQ-UHFFFAOYSA-N	0	1	265.313	1.099	50	5		CDBAMN
O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC1	ZINC000261493918	190039765	/nfs/dbraw/zinc/03/97/65/190039765.db2.gz	LYEZXKQVTKSLOM-UHFFFAOYSA-N	0	1	250.254	1.927	50	5		CDBAMN
COc1cc(CN2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1[O-]	ZINC000004832322	170026239	/nfs/dbraw/zinc/02/62/39/170026239.db2.gz	ULYUWBYPEDDMBQ-UHFFFAOYSA-N	0	1	295.339	1.447	50	5		CDBAMN
CNc1ccc(CN[C@H]2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000096402781	393177926	/nfs/dbraw/zinc/17/79/26/393177926.db2.gz	VJGLBYUFDBZPPA-NSHDSACASA-N	0	1	278.312	1.005	50	5		CDBAMN
Cc1ccn(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)n1	ZINC000006925287	170255799	/nfs/dbraw/zinc/25/57/99/170255799.db2.gz	HJOWUCMJJJRELK-UHFFFAOYSA-N	0	1	290.279	1.834	50	5		CDBAMN
C[C@@H]1CCNC(=O)[C@H]1NCc1ccc([N+](=O)[O-])cc1	ZINC000193566659	278561589	/nfs/dbraw/zinc/56/15/89/278561589.db2.gz	CFRFHLPKYKUNBU-SKDRFNHKSA-N	0	1	263.297	1.209	50	5		CDBAMN
O=[N+]([O-])c1cccc(CN2CCC[C@@H](CO)C2)c1	ZINC000023114972	358037693	/nfs/dbraw/zinc/03/76/93/358037693.db2.gz	YGSACGKXKWFRRP-GFCCVEGCSA-N	0	1	250.298	1.799	50	5		CDBAMN
CN1CCN(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	ZINC000031623081	375810689	/nfs/dbraw/zinc/81/06/89/375810689.db2.gz	VGUWZCUCNQXGBU-UHFFFAOYSA-N	0	1	274.324	1.824	50	5		CDBAMN
CCN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1	ZINC000004117388	375691709	/nfs/dbraw/zinc/69/17/09/375691709.db2.gz	OJDMYZGKJSNIAY-UHFFFAOYSA-N	0	1	293.323	1.523	50	5		CDBAMN
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000011919896	390917683	/nfs/dbraw/zinc/91/76/83/390917683.db2.gz	FZZIZIKYNJDVFZ-WDEREUQCSA-N	0	1	288.263	1.006	50	5	biogenic	CDBAMN
COc1cc(C=C2SC(=O)NC2=O)cc([N+](=O)[O-])c1O	ZINC000015011974	361918891	/nfs/dbraw/zinc/91/88/91/361918891.db2.gz	NUKUFIYNEFXNIP-XBXARRHUSA-N	0	1	296.260	1.633	50	5		CDBAMN
CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000000475278	363322385	/nfs/dbraw/zinc/32/23/85/363322385.db2.gz	LUYKSVCFVADRSP-UHFFFAOYSA-N	0	1	260.271	1.365	50	5		CDBAMN
Nc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2)n1	ZINC000004748551	170011165	/nfs/dbraw/zinc/01/11/65/170011165.db2.gz	YDVIJASIWHCTDN-UHFFFAOYSA-N	0	1	277.309	1.842	50	5		CDBAMN
O=C(NC[C@@H]1CCCO1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032796720	260145681	/nfs/dbraw/zinc/14/56/81/260145681.db2.gz	OKLNXPNMSVTTLK-VIFPVBQESA-N	0	1	290.279	1.380	50	5		CDBAMN
CCN(CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000000093274	358656290	/nfs/dbraw/zinc/65/62/90/358656290.db2.gz	ZRRXXXGBVDGATC-GFCCVEGCSA-N	0	1	291.307	1.569	50	5		CDBAMN
Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)cc1	ZINC000004558441	356407985	/nfs/dbraw/zinc/40/79/85/356407985.db2.gz	HUUWGFYTPQCOGD-UHFFFAOYSA-N	0	1	294.292	1.373	50	5		CDBAMN
O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CO)C1	ZINC000023114876	358037556	/nfs/dbraw/zinc/03/75/56/358037556.db2.gz	UDGNNSUSQFPLEM-LLVKDONJSA-N	0	1	250.298	1.799	50	5		CDBAMN
COc1cc(CN2CCC[C@@H](O)C2)cc([N+](=O)[O-])c1O	ZINC000016310450	370098111	/nfs/dbraw/zinc/09/81/11/370098111.db2.gz	ZZCQBVDHHFPMKV-SNVBAGLBSA-N	0	1	282.296	1.266	50	5		CDBAMN
C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000022078415	342088889	/nfs/dbraw/zinc/08/88/89/342088889.db2.gz	FTITUJQJYXKYKM-DGCLKSJQSA-N	0	1	291.351	1.969	50	5		CDBAMN
O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2nc[nH]n2)C1	ZINC000096452911	357476278	/nfs/dbraw/zinc/47/62/78/357476278.db2.gz	MYMPQRFHXIVUJY-SECBINFHSA-N	0	1	274.284	1.492	50	5		CDBAMN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1	ZINC000035571841	278803553	/nfs/dbraw/zinc/80/35/53/278803553.db2.gz	VGOLNVZXOIJBKT-RKDXNWHRSA-N	0	1	252.270	1.914	50	5		CDBAMN
CCn1nc(C)c([N+](=O)[O-])c1NCCc1ccn[nH]1	ZINC000714553805	909749477	/nfs/dbraw/zinc/74/94/77/909749477.db2.gz	RPGKYYFLXADRKI-UHFFFAOYSA-N	0	1	264.289	1.497	50	5		CDBAMN
O=[N+]([O-])c1ccc(=NNS(=O)(=O)c2ccccc2)[nH]c1	ZINC000020031431	374838018	/nfs/dbraw/zinc/83/80/18/374838018.db2.gz	DHIOGUSPJLLYEX-UHFFFAOYSA-N	0	1	294.292	1.295	50	5		CDBAMN
Cc1[nH]ncc1CNc1nc2sccn2c1[N+](=O)[O-]	ZINC000038011885	363224277	/nfs/dbraw/zinc/22/42/77/363224277.db2.gz	IOTXQSAFAZQMEU-UHFFFAOYSA-N	0	1	278.297	1.948	50	5		CDBAMN
CCN(CC)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000019940148	374829068	/nfs/dbraw/zinc/82/90/68/374829068.db2.gz	DVRSXMIJEYOQSF-GFCCVEGCSA-N	0	1	291.307	1.569	50	5		CDBAMN
Cc1nn(C)c(N2CCC[C@H](c3nc[nH]n3)C2)c1[N+](=O)[O-]	ZINC000096452900	230376251	/nfs/dbraw/zinc/37/62/51/230376251.db2.gz	XNACUHXZLWIFBS-VIFPVBQESA-N	0	1	291.315	1.139	50	5		CDBAMN
CCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nn[nH]n1	ZINC000095287807	374878019	/nfs/dbraw/zinc/87/80/19/374878019.db2.gz	LCBICZIJFVXJMP-JTQLQIEISA-N	0	1	290.283	1.379	50	5		CDBAMN
C[C@H](O)CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000004179195	375902998	/nfs/dbraw/zinc/90/29/98/375902998.db2.gz	GCFLFGGWPVVVQA-NSHDSACASA-N	0	1	294.355	1.139	50	5		CDBAMN
CN1CCC([N@@H+](C)Cc2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000004986365	170049702	/nfs/dbraw/zinc/04/97/02/170049702.db2.gz	NDCNPNJPJIVOEV-UHFFFAOYSA-N	0	1	279.340	1.826	50	5		CDBAMN
CN(Cc1ccc([O-])c([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000004986365	170049703	/nfs/dbraw/zinc/04/97/03/170049703.db2.gz	NDCNPNJPJIVOEV-UHFFFAOYSA-N	0	1	279.340	1.826	50	5		CDBAMN
CC(C)OC(=O)C[C@@H](N)c1ccccc1[N+](=O)[O-]	ZINC000020268538	277669538	/nfs/dbraw/zinc/66/95/38/277669538.db2.gz	PPDSCYOUHQUYRX-SNVBAGLBSA-N	0	1	252.270	1.936	50	5		CDBAMN
O=C(NCc1ccc(Cl)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032931955	356459492	/nfs/dbraw/zinc/45/94/92/356459492.db2.gz	CPSBDKKLZGMSPM-VHSXEESVSA-N	0	1	254.673	1.621	50	5		CDBAMN
O=[N+]([O-])c1cccc(CN2CCC[C@H](CO)C2)c1	ZINC000023114974	358037592	/nfs/dbraw/zinc/03/75/92/358037592.db2.gz	YGSACGKXKWFRRP-LBPRGKRZSA-N	0	1	250.298	1.799	50	5		CDBAMN
COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1nnc[nH]1	ZINC000095455214	374953226	/nfs/dbraw/zinc/95/32/26/374953226.db2.gz	YJFPNHFBYZALSD-ZETCQYMHSA-N	0	1	291.267	1.673	50	5		CDBAMN
COC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032765438	356364374	/nfs/dbraw/zinc/36/43/74/356364374.db2.gz	HTAOQPVBLCUZKD-ZETCQYMHSA-N	0	1	278.268	1.236	50	5		CDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccnc2)c1	ZINC000004706281	170002373	/nfs/dbraw/zinc/00/23/73/170002373.db2.gz	WBSZDHRDZPKWND-UHFFFAOYSA-N	0	1	279.277	1.791	50	5		CDBAMN
Cc1ccc(C)n1C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000089652247	366899882	/nfs/dbraw/zinc/89/98/82/366899882.db2.gz	NYGUGGAEYFMVJZ-UONOGXRCSA-N	0	1	291.351	1.934	50	5		CDBAMN
CCN(CCC(N)=O)Cc1ccccc1[N+](=O)[O-]	ZINC000097679532	356234886	/nfs/dbraw/zinc/23/48/86/356234886.db2.gz	XNRLIJNGVJXBFQ-UHFFFAOYSA-N	0	1	251.286	1.292	50	5		CDBAMN
COc1cc(C[N@H+]2CCC[C@H](CO)C2)cc([N+](=O)[O-])c1[O-]	ZINC000003110198	375540910	/nfs/dbraw/zinc/54/09/10/375540910.db2.gz	QJMOLLTYJFTKJN-JTQLQIEISA-N	0	1	296.323	1.513	50	5		CDBAMN
CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1	ZINC000032804120	260146127	/nfs/dbraw/zinc/14/61/27/260146127.db2.gz	KRLBJGIWFJEVMY-UHFFFAOYSA-N	0	1	289.335	1.968	50	5		CDBAMN
COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1O	ZINC000004838235	170027081	/nfs/dbraw/zinc/02/70/81/170027081.db2.gz	BPBMXUKMXJKJNY-UWVGGRQHSA-N	0	1	296.323	1.918	50	5		CDBAMN
CN1CCN(c2ncccc2[N+](=O)[O-])CC1(C)C	ZINC000594873595	342972767	/nfs/dbraw/zinc/97/27/67/342972767.db2.gz	APMYQCDIKNQYIG-UHFFFAOYSA-N	0	1	250.302	1.520	50	5		CDBAMN
COc1cc(CN2CCN(C)CC2)c([N+](=O)[O-])cc1OC	ZINC000004990140	170050715	/nfs/dbraw/zinc/05/07/15/170050715.db2.gz	FPFADJLVZGXUIJ-UHFFFAOYSA-N	0	1	295.339	1.359	50	5		CDBAMN
COc1ccc(NC(=O)c2[nH]cnc2[N+](=O)[O-])cc1	ZINC000005800075	170141688	/nfs/dbraw/zinc/14/16/88/170141688.db2.gz	SRCBBOQPMILIQU-UHFFFAOYSA-N	0	1	262.225	1.579	50	5		CDBAMN
O=C(NCc1ccc(Cl)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032931953	356459575	/nfs/dbraw/zinc/45/95/75/356459575.db2.gz	CPSBDKKLZGMSPM-NXEZZACHSA-N	0	1	254.673	1.621	50	5		CDBAMN
O=[N+]([O-])c1ccc(SC2=NCCCN2)c([N+](=O)[O-])c1	ZINC000001735872	285138750	/nfs/dbraw/zinc/13/87/50/285138750.db2.gz	REJMAHWFWFRYQH-UHFFFAOYSA-N	0	1	282.281	1.944	50	5		CDBAMN
C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1	ZINC000020247197	393142644	/nfs/dbraw/zinc/14/26/44/393142644.db2.gz	XHRMWKJPUQKNII-UHFFFAOYSA-N	0	1	279.296	1.435	50	5		CDBAMN
CCN1CCN(CCOc2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000005065455	170062872	/nfs/dbraw/zinc/06/28/72/170062872.db2.gz	ZCYYDAFQZDUZAY-UHFFFAOYSA-N	0	1	293.367	1.920	50	5		CDBAMN
CCN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000022591566	273663451	/nfs/dbraw/zinc/66/34/51/273663451.db2.gz	FYAIIQGHSQLQAC-UHFFFAOYSA-N	0	1	293.323	1.461	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1[O-]	ZINC000023280479	358656974	/nfs/dbraw/zinc/65/69/74/358656974.db2.gz	YWVCIBCGNOKLKZ-LLVKDONJSA-N	0	1	266.297	1.505	50	5		CDBAMN
NC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000004987194	170049644	/nfs/dbraw/zinc/04/96/44/170049644.db2.gz	SFTGNNSWLGSSMZ-LLVKDONJSA-N	0	1	263.297	1.292	50	5		CDBAMN
Cc1ccc(OC[C@@H]2NCCS2)cc1[N+](=O)[O-]	ZINC000020390602	171179384	/nfs/dbraw/zinc/17/93/84/171179384.db2.gz	PDQTWEZRPLDAPK-LLVKDONJSA-N	0	1	254.311	1.945	50	5		CDBAMN
O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000084402989	483276142	/nfs/dbraw/zinc/27/61/42/483276142.db2.gz	WNSHMXRUSXDLTK-AAEUAGOBSA-N	0	1	286.291	1.358	50	5		CDBAMN
COc1cc([N+](=O)[O-])cnc1N1CCN(C(C)C)CC1	ZINC000863949047	741874206	/nfs/dbraw/zinc/87/42/06/741874206.db2.gz	BCABBWAGTKEKSP-UHFFFAOYSA-N	0	1	280.328	1.529	50	5		CDBAMN
Cc1nc(C)c([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])s1	ZINC000096486475	230381624	/nfs/dbraw/zinc/38/16/24/230381624.db2.gz	BNGQCRMEFJKAPV-LURJTMIESA-N	0	1	295.324	1.882	50	5		CDBAMN
CCc1[nH]nc(C(=O)N2CCSCC[C@@H]2C)c1[N+](=O)[O-]	ZINC000192937135	362723346	/nfs/dbraw/zinc/72/33/46/362723346.db2.gz	VEFICPSDPJYXLS-QMMMGPOBSA-N	0	1	298.368	1.848	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)nc1	ZINC000095349630	374886316	/nfs/dbraw/zinc/88/63/16/374886316.db2.gz	JDFFWDLFEARPMP-STQMWFEESA-N	0	1	292.339	1.025	50	5		CDBAMN
C[C@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	ZINC000035571838	290895199	/nfs/dbraw/zinc/89/51/99/290895199.db2.gz	VGOLNVZXOIJBKT-IUCAKERBSA-N	0	1	252.270	1.914	50	5		CDBAMN
CCOC(=O)Cc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000032616687	356315829	/nfs/dbraw/zinc/31/58/29/356315829.db2.gz	CLHLWUYFQRBKFH-UHFFFAOYSA-N	0	1	276.252	1.486	50	5		CDBAMN
O=[N+]([O-])c1cccc(CNC[C@@H]2CCCS2(=O)=O)c1	ZINC000089780829	366933845	/nfs/dbraw/zinc/93/38/45/366933845.db2.gz	AMUWDBYHTCKSHD-LBPRGKRZSA-N	0	1	284.337	1.262	50	5		CDBAMN
Cc1ccc(C)n1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000089652246	366900071	/nfs/dbraw/zinc/90/00/71/366900071.db2.gz	NYGUGGAEYFMVJZ-ZIAGYGMSSA-N	0	1	291.351	1.934	50	5		CDBAMN
Cc1cc(N2CCC[C@H]2c2nnc[nH]2)ncc1[N+](=O)[O-]	ZINC000952881814	910449282	/nfs/dbraw/zinc/44/92/82/910449282.db2.gz	JWBOHCZVCQCEGB-VIFPVBQESA-N	0	1	274.284	1.758	50	5		CDBAMN
COc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000017007491	367004994	/nfs/dbraw/zinc/00/49/94/367004994.db2.gz	SPVQEESKQMTLDN-UHFFFAOYSA-N	0	1	276.252	1.257	50	5		CDBAMN
CC[NH+](CC)CCSc1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000670421066	482942660	/nfs/dbraw/zinc/94/26/60/482942660.db2.gz	NMVVRBXVYLIEGA-UHFFFAOYSA-N	0	1	272.330	1.524	50	5		CDBAMN
C[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000003883227	290057431	/nfs/dbraw/zinc/05/74/31/290057431.db2.gz	OELXEJIGVMEIJK-UHFFFAOYSA-N	0	1	265.269	1.045	50	5		CDBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C)C[N+](=O)[O-]	ZINC000100373883	358828772	/nfs/dbraw/zinc/82/87/72/358828772.db2.gz	MLRDEESSCJSTAE-JOYOIKCWSA-N	0	1	261.281	1.938	50	5		CDBAMN
CC(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000012544732	368682823	/nfs/dbraw/zinc/68/28/23/368682823.db2.gz	IXEOPOQBDLCNRB-UHFFFAOYSA-N	0	1	262.269	1.857	50	5		CDBAMN
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000107065030	186158937	/nfs/dbraw/zinc/15/89/37/186158937.db2.gz	GOWHNEUOYWCWBS-XBFCOCLRSA-N	0	1	290.319	1.721	50	5		CDBAMN
O=[N+]([O-])c1ccccc1OCCSc1cn[nH]n1	ZINC000177375343	364811212	/nfs/dbraw/zinc/81/12/12/364811212.db2.gz	JYRYGNXCEOXCOR-UHFFFAOYSA-N	0	1	266.282	1.884	50	5		CDBAMN
O=[N+]([O-])c1ccsc1NC[C@H]1CN2CCC[C@H]2CO1	ZINC000108329606	412824324	/nfs/dbraw/zinc/82/43/24/412824324.db2.gz	DYMYCDDBKOLASH-UWVGGRQHSA-N	0	1	283.353	1.931	50	5		CDBAMN
C[C@@H](O)CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000004179201	375902910	/nfs/dbraw/zinc/90/29/10/375902910.db2.gz	GCFLFGGWPVVVQA-LLVKDONJSA-N	0	1	294.355	1.139	50	5		CDBAMN
COc1cccc(NCCN2CCCOCC2)c1[N+](=O)[O-]	ZINC000188497620	376304493	/nfs/dbraw/zinc/30/44/93/376304493.db2.gz	IPMPLBUCPVVFKG-UHFFFAOYSA-N	0	1	295.339	1.738	50	5		CDBAMN
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1	ZINC000095978278	185051741	/nfs/dbraw/zinc/05/17/41/185051741.db2.gz	QPCLWSOTNDGRHH-UHFFFAOYSA-N	0	1	293.327	1.018	50	5		CDBAMN
C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	ZINC000097022886	185153602	/nfs/dbraw/zinc/15/36/02/185153602.db2.gz	HQDKUIQVXGKNDV-VXNVDRBHSA-N	0	1	290.279	1.964	50	5		CDBAMN
Cc1ccc(Nc2nc(N)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000005728589	357447931	/nfs/dbraw/zinc/44/79/31/357447931.db2.gz	NGFIXSOYWFLHMQ-UHFFFAOYSA-N	0	1	261.241	1.312	50	5		CDBAMN
O=C(Nc1ncccc1F)c1ccc([N+](=O)[O-])o1	ZINC000097110780	357986800	/nfs/dbraw/zinc/98/68/00/357986800.db2.gz	DMBQYLZRZUPMMQ-UHFFFAOYSA-N	0	1	251.173	1.974	50	5		CDBAMN
COc1cc(CN2CCSCC2)cc([N+](=O)[O-])c1O	ZINC000000201940	359293533	/nfs/dbraw/zinc/29/35/33/359293533.db2.gz	HMXIWAHFOQDKOA-UHFFFAOYSA-N	0	1	284.337	1.858	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1[O-]	ZINC000016662691	360277238	/nfs/dbraw/zinc/27/72/38/360277238.db2.gz	PGWIVESVDPNWPU-SNVBAGLBSA-N	0	1	252.270	1.257	50	5		CDBAMN
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1[O-]	ZINC000016662691	360277243	/nfs/dbraw/zinc/27/72/43/360277243.db2.gz	PGWIVESVDPNWPU-SNVBAGLBSA-N	0	1	252.270	1.257	50	5		CDBAMN
O=[N+]([O-])N=c1ncc(-c2ccc([N+](=O)[O-])cc2)c[nH]1	ZINC000002865151	285075193	/nfs/dbraw/zinc/07/51/93/285075193.db2.gz	BNIDVSLDOKTSHR-UHFFFAOYSA-N	0	1	261.197	1.655	50	5		CDBAMN
O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3[nH]cnc31)CC2	ZINC000089807680	285143025	/nfs/dbraw/zinc/14/30/25/285143025.db2.gz	XKTGADPPBZWSOG-UHFFFAOYSA-N	0	1	296.290	1.824	50	5		CDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000003877865	391933352	/nfs/dbraw/zinc/93/33/52/391933352.db2.gz	HMNVCTLPNUWCPO-UHFFFAOYSA-N	0	1	272.308	1.895	50	5		CDBAMN
COc1ccc([N+](=O)[O-])cc1CNC(C)(C)CO	ZINC000004868094	170034086	/nfs/dbraw/zinc/03/40/86/170034086.db2.gz	AUASLHHTKBKVIM-UHFFFAOYSA-N	0	1	254.286	1.464	50	5		CDBAMN
CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000004688289	570248993	/nfs/dbraw/zinc/24/89/93/570248993.db2.gz	DQJZRATWFYQSGH-UHFFFAOYSA-N	0	1	250.302	1.388	50	5		CDBAMN
O=[N+]([O-])c1cnc2c(c1)CN(CCn1ccnc1)CC2	ZINC000097373840	356094791	/nfs/dbraw/zinc/09/47/91/356094791.db2.gz	DVQLHLMAIGOSLD-UHFFFAOYSA-N	0	1	273.296	1.245	50	5		CDBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)C(F)(F)F	ZINC000004566731	280022749	/nfs/dbraw/zinc/02/27/49/280022749.db2.gz	UJHHWDGLVGPPDY-UHFFFAOYSA-N	0	1	250.132	1.801	50	5		CDBAMN
O=C(Nc1ccc(O)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000096003998	185062050	/nfs/dbraw/zinc/06/20/50/185062050.db2.gz	JOBAHMICIVSSSL-UHFFFAOYSA-N	0	1	282.643	1.929	50	5		CDBAMN
C[C@H]1C[C@H]1c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])o1	ZINC000097022888	185154204	/nfs/dbraw/zinc/15/42/04/185154204.db2.gz	HQDKUIQVXGKNDV-IONNQARKSA-N	0	1	290.279	1.964	50	5		CDBAMN
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(CCO)CC1	ZINC000004987152	527396200	/nfs/dbraw/zinc/39/62/00/527396200.db2.gz	XTLNYLRQJWXZRM-HWKANZROSA-N	0	1	291.351	1.218	50	5		CDBAMN
Cc1ccc(OCCN2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000020118624	367013060	/nfs/dbraw/zinc/01/30/60/367013060.db2.gz	GQPPEZBDSBAORQ-UHFFFAOYSA-N	0	1	279.340	1.529	50	5		CDBAMN
CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000004187419	375910489	/nfs/dbraw/zinc/91/04/89/375910489.db2.gz	HGVAOTSORBBXKB-UHFFFAOYSA-N	0	1	278.312	1.305	50	5		CDBAMN
Cc1cc(N2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083748	393192936	/nfs/dbraw/zinc/19/29/36/393192936.db2.gz	BGOVKJAZKGHGJT-UHFFFAOYSA-N	0	1	286.291	1.388	50	5		CDBAMN
CC(=O)c1cc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000253415523	277106343	/nfs/dbraw/zinc/10/63/43/277106343.db2.gz	RYBIVAQXKOROTM-UHFFFAOYSA-N	0	1	263.297	1.548	50	5		CDBAMN
O=C(OC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000107065033	186158352	/nfs/dbraw/zinc/15/83/52/186158352.db2.gz	GOWHNEUOYWCWBS-MRVWCRGKSA-N	0	1	290.319	1.721	50	5		CDBAMN
COc1ccccc1Nc1nc(NN)nc(C)c1[N+](=O)[O-]	ZINC000005394130	170094326	/nfs/dbraw/zinc/09/43/26/170094326.db2.gz	UWQOXAZHMGZNMO-UHFFFAOYSA-N	0	1	290.283	1.731	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc[nH]n3)C2)nc1	ZINC000096452904	136520726	/nfs/dbraw/zinc/52/07/26/136520726.db2.gz	CPSHAEKRBMQBLK-VIFPVBQESA-N	0	1	274.284	1.492	50	5		CDBAMN
Cc1ccc(NC(=O)NCCN2CC=CC2)cc1[N+](=O)[O-]	ZINC000101488367	397798444	/nfs/dbraw/zinc/79/84/44/397798444.db2.gz	CLWJLYAPHLNOMS-UHFFFAOYSA-N	0	1	290.323	1.897	50	5		CDBAMN
O=[N+]([O-])c1cccc(CNC[C@H]2CCCS2(=O)=O)c1	ZINC000089780830	366933311	/nfs/dbraw/zinc/93/33/11/366933311.db2.gz	AMUWDBYHTCKSHD-GFCCVEGCSA-N	0	1	284.337	1.262	50	5		CDBAMN
O=C1C2CCN(CC2)[C@@H]1Cc1cc([N+](=O)[O-])ccc1O	ZINC000001516797	362205285	/nfs/dbraw/zinc/20/52/85/362205285.db2.gz	YPGYMQVZYNIXEW-GFCCVEGCSA-N	0	1	276.292	1.506	50	5		CDBAMN
O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc1	ZINC000095349632	374886099	/nfs/dbraw/zinc/88/60/99/374886099.db2.gz	JDFFWDLFEARPMP-QWHCGFSZSA-N	0	1	292.339	1.025	50	5		CDBAMN
O=C(NCCNc1ccc([N+](=O)[O-])cn1)C(F)(F)F	ZINC000019913491	170924175	/nfs/dbraw/zinc/92/41/75/170924175.db2.gz	JSAHYHFTTUERBS-UHFFFAOYSA-N	0	1	278.190	1.080	50	5		CDBAMN
O=[N+]([O-])c1ccc(Sc2c[nH]nn2)c([N+](=O)[O-])c1	ZINC001772491151	1187279726	/nfs/dbraw/zinc/27/97/26/1187279726.db2.gz	VWBBJLHBXPRVOR-UHFFFAOYSA-N	0	1	267.226	1.772	50	5		CDBAMN
O=C([O-])[C@@H]1Cc2nc[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1	ZINC000011919898	390917665	/nfs/dbraw/zinc/91/76/65/390917665.db2.gz	FZZIZIKYNJDVFZ-QWRGUYRKSA-N	0	1	288.263	1.006	50	5	biogenic	CDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccncc2)c1	ZINC000004706296	170002649	/nfs/dbraw/zinc/00/26/49/170002649.db2.gz	OQXBTGJQDWQQBY-UHFFFAOYSA-N	0	1	279.277	1.791	50	5		CDBAMN
COc1cc([N+](=O)[O-])ccc1Nc1nc(O)cs1	ZINC000004951411	170044896	/nfs/dbraw/zinc/04/48/96/170044896.db2.gz	FUDVBVUENMBNBV-UHFFFAOYSA-N	0	1	267.266	1.645	50	5		CDBAMN
O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000084402984	483276069	/nfs/dbraw/zinc/27/60/69/483276069.db2.gz	WNSHMXRUSXDLTK-YPMHNXCESA-N	0	1	286.291	1.358	50	5		CDBAMN
Nc1ncnc(Nc2cc([N+](=O)[O-])ccc2F)c1[N+](=O)[O-]	ZINC000004059586	230367951	/nfs/dbraw/zinc/36/79/51/230367951.db2.gz	ZRNLQKMSMUJDDH-UHFFFAOYSA-N	0	1	294.202	1.758	50	5		CDBAMN
CC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000032765431	356364602	/nfs/dbraw/zinc/36/46/02/356364602.db2.gz	LTSYJHMTISZKMV-SSDOTTSWSA-N	0	1	262.269	1.999	50	5		CDBAMN
Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])[nH]1	ZINC000004597864	357095528	/nfs/dbraw/zinc/09/55/28/357095528.db2.gz	BZQANPDIKYKVBE-UHFFFAOYSA-N	0	1	293.308	1.752	50	5		CDBAMN
Cc1n[nH]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1	ZINC000004597864	357095532	/nfs/dbraw/zinc/09/55/32/357095532.db2.gz	BZQANPDIKYKVBE-UHFFFAOYSA-N	0	1	293.308	1.752	50	5		CDBAMN
CCN(C)c1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000248269211	360480703	/nfs/dbraw/zinc/48/07/03/360480703.db2.gz	UVSWUELWOYFFON-DGCLKSJQSA-N	0	1	277.324	1.424	50	5		CDBAMN
Cc1cc(N2CCC[C@H](c3nc[nH]n3)C2)ncc1[N+](=O)[O-]	ZINC000363607785	159333256	/nfs/dbraw/zinc/33/32/56/159333256.db2.gz	YFAUHQIZVRIPOI-JTQLQIEISA-N	0	1	288.311	1.800	50	5		CDBAMN
COC[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000004997335	170052377	/nfs/dbraw/zinc/05/23/77/170052377.db2.gz	PSFXBQOKVMDECA-QMMMGPOBSA-N	0	1	268.269	1.448	50	5		CDBAMN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1	ZINC000035571835	277916767	/nfs/dbraw/zinc/91/67/67/277916767.db2.gz	VGOLNVZXOIJBKT-DTORHVGOSA-N	0	1	252.270	1.914	50	5		CDBAMN
Cc1ccnc(N2CC[C@@H](N3CCC3)C2)c1[N+](=O)[O-]	ZINC000952883883	910459709	/nfs/dbraw/zinc/45/97/09/910459709.db2.gz	ZDSRDDPOJKANIA-LLVKDONJSA-N	0	1	262.313	1.583	50	5		CDBAMN
Cc1ccc(C)n1C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000089652244	366900324	/nfs/dbraw/zinc/90/03/24/366900324.db2.gz	NYGUGGAEYFMVJZ-KGLIPLIRSA-N	0	1	291.351	1.934	50	5		CDBAMN
C[C@@H]1CCCC[C@@H]1N(C)C(=O)COC(=O)[C@H]1CC1[N+](=O)[O-]	ZINC000242302248	373211262	/nfs/dbraw/zinc/21/12/62/373211262.db2.gz	YQTMMHJVRSSAGY-NOOOWODRSA-N	0	1	298.339	1.232	50	5		CDBAMN
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1	ZINC000005296594	390959247	/nfs/dbraw/zinc/95/92/47/390959247.db2.gz	OTABPJFJMIHGIH-UHFFFAOYSA-N	0	1	264.197	1.616	50	5		CDBAMN
C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc([N+](=O)[O-])cc1	ZINC000193566632	278561133	/nfs/dbraw/zinc/56/11/33/278561133.db2.gz	CFRFHLPKYKUNBU-BXKDBHETSA-N	0	1	263.297	1.209	50	5		CDBAMN
O=c1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n[nH]1	ZINC000003681396	280369731	/nfs/dbraw/zinc/36/97/31/280369731.db2.gz	VLMJUYQJXCZRIL-UHFFFAOYSA-N	0	1	257.209	1.634	50	5		CDBAMN
Cc1[nH]nc(C(=O)Nc2c(O)cccc2F)c1[N+](=O)[O-]	ZINC000096436589	329526391	/nfs/dbraw/zinc/52/63/91/329526391.db2.gz	YXKGDONLXGHXKU-UHFFFAOYSA-N	0	1	280.215	1.723	50	5		CDBAMN
O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000084402995	483276102	/nfs/dbraw/zinc/27/61/02/483276102.db2.gz	WNSHMXRUSXDLTK-WCQYABFASA-N	0	1	286.291	1.358	50	5		CDBAMN