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)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000585133192	931027824	/nfs/dbraw/zinc/02/78/24/931027824.db2.gz	AIILPQCDILBKEV-CYBMUJFWSA-N	1	0	295.314	1.630	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](CO)C1	ZINC000023114878	358037473	/nfs/dbraw/zinc/03/74/73/358037473.db2.gz	UDGNNSUSQFPLEM-NSHDSACASA-N	1	0	250.298	1.799	50	5		CDBARO
C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)C1CC1	ZINC000241287096	368988736	/nfs/dbraw/zinc/98/87/36/368988736.db2.gz	LJVZKZQMAMWZIZ-MRVPVSSYSA-N	1	0	256.331	1.803	50	5		CDBARO
Cc1ccc(OCCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000002840255	375342723	/nfs/dbraw/zinc/34/27/23/375342723.db2.gz	UCACXQHFIUGJCS-UHFFFAOYSA-N	1	0	279.340	1.577	50	5		CDBARO
O=[N+]([O-])c1ccc(NCC[NH2+]CCO)c2ncccc12	ZINC000004045572	375853153	/nfs/dbraw/zinc/85/31/53/375853153.db2.gz	BXHJGTQQLRRSJI-UHFFFAOYSA-N	1	0	276.296	1.137	50	5		CDBARO
O=C(NCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000007435766	170284495	/nfs/dbraw/zinc/28/44/95/170284495.db2.gz	FAMJBEHOIIDHSA-UHFFFAOYSA-N	1	0	263.297	1.420	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CCO)CC2)c1	ZINC000092689475	281010489	/nfs/dbraw/zinc/01/04/89/281010489.db2.gz	MZPNDHVJBYBMMQ-UHFFFAOYSA-N	1	0	279.340	1.454	50	5		CDBARO
Cc1ccnc(N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000585092431	362014596	/nfs/dbraw/zinc/01/45/96/362014596.db2.gz	WNCIVIWTGJPORU-CQSZACIVSA-N	1	0	294.355	1.191	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NCCCO)c2)CC1	ZINC000004333813	356267214	/nfs/dbraw/zinc/26/72/14/356267214.db2.gz	PYZXEPLLFDIQLF-UHFFFAOYSA-N	1	0	294.355	1.141	50	5		CDBARO
CCN1C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2	ZINC000013154467	374657323	/nfs/dbraw/zinc/65/73/23/374657323.db2.gz	IMIRONZDASOPRO-ZJUUUORDSA-N	1	0	275.692	1.269	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCCC[NH2+]C[C@@H](C)O)c1	ZINC000002881345	375361402	/nfs/dbraw/zinc/36/14/02/375361402.db2.gz	PKRFDBXKSFOLDB-LLVKDONJSA-N	1	0	268.313	1.643	50	5		CDBARO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]CCO	ZINC000004045604	375853018	/nfs/dbraw/zinc/85/30/18/375853018.db2.gz	WGWFIJQRKSWNLJ-UHFFFAOYSA-N	1	0	293.245	1.607	50	5		CDBARO
Cc1ccc(OC[C@@H]2[NH2+]CCS2)c([N+](=O)[O-])c1	ZINC000020219281	171081719	/nfs/dbraw/zinc/08/17/19/171081719.db2.gz	HVXRYXDBZBPEJL-LLVKDONJSA-N	1	0	254.311	1.945	50	5		CDBARO
CC[NH2+]CCNc1ncc([N+](=O)[O-])cc1Br	ZINC000086482118	146932628	/nfs/dbraw/zinc/93/26/28/146932628.db2.gz	JSWRPZYHFLOZMI-UHFFFAOYSA-N	1	0	289.133	1.774	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCCC1	ZINC000004550604	275036675	/nfs/dbraw/zinc/03/66/75/275036675.db2.gz	HAVYTZCTAHRQNI-UHFFFAOYSA-N	1	0	276.340	1.605	50	5		CDBARO
[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	ZINC000195562269	295323202	/nfs/dbraw/zinc/32/32/02/295323202.db2.gz	HEDFEIAKBWDXRK-MVWJERBFSA-N	1	0	275.308	1.404	50	5		CDBARO
CC1CC[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1	ZINC000095977951	185052309	/nfs/dbraw/zinc/05/23/09/185052309.db2.gz	UMFOPAMKYOTVQZ-UHFFFAOYSA-N	1	0	295.343	1.170	50	5		CDBARO
COc1c2c(cc3c1[C@H](C[C@H](C)O)[N+](C)(C)CC3)OCO2	ZINC000000485787	365005579	/nfs/dbraw/zinc/00/55/79/365005579.db2.gz	JDHJUNPYLKPCMG-JQWIXIFHSA-N	1	0	294.371	1.868	50	5	biogenic	CDBARO
C[NH+](C)CCOC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002171128	367854219	/nfs/dbraw/zinc/85/42/19/367854219.db2.gz	CGPVIASPYQJZNV-UHFFFAOYSA-N	1	0	253.258	1.705	50	5		CDBARO
O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000108329609	412824907	/nfs/dbraw/zinc/82/49/07/412824907.db2.gz	DYMYCDDBKOLASH-VHSXEESVSA-N	1	0	283.353	1.931	50	5		CDBARO
Cc1nn(C)c2c1C(c1cccc([N+](=O)[O-])c1)=[NH+]CCN2	ZINC000028107521	375191932	/nfs/dbraw/zinc/19/19/32/375191932.db2.gz	HSAHLQYQPJCQGX-UHFFFAOYSA-N	1	0	285.307	1.900	50	5		CDBARO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCCC1	ZINC000005068280	285165037	/nfs/dbraw/zinc/16/50/37/285165037.db2.gz	IGXXJWCKQNEELE-GFCCVEGCSA-N	1	0	280.324	1.867	50	5		CDBARO
C[C@H](C[N+]1(C)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000006183560	170181058	/nfs/dbraw/zinc/18/10/58/170181058.db2.gz	PFJIDXUCXMZKAM-GFCCVEGCSA-N	1	0	289.355	1.148	50	5		CDBARO
NC(=[NH2+])SCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000007715584	170298785	/nfs/dbraw/zinc/29/87/85/170298785.db2.gz	AXXYGXVRGXBZRV-UHFFFAOYSA-N	1	0	269.282	1.588	50	5		CDBARO
O=[N+]([O-])c1cccc(OCCOCCN2CCOCC2)c1	ZINC000020639407	171269230	/nfs/dbraw/zinc/26/92/30/171269230.db2.gz	NRTOSCDPJBDPRP-UHFFFAOYSA-N	1	0	296.323	1.322	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1	ZINC000012557550	273900119	/nfs/dbraw/zinc/90/01/19/273900119.db2.gz	WPRNWHLWGPQXIJ-UHFFFAOYSA-N	1	0	272.308	1.895	50	5		CDBARO
[NH3+][C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000721867253	695065906	/nfs/dbraw/zinc/06/59/06/695065906.db2.gz	UPWCLTDDFJOOKP-AOOOYVTPSA-N	1	0	299.352	1.143	50	5		CDBARO
C[C@H](CCCO)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239782576	363368908	/nfs/dbraw/zinc/36/89/08/363368908.db2.gz	CPKDXGJMVXIOES-NXEZZACHSA-N	1	0	267.329	1.989	50	5		CDBARO
CCOC(=O)c1ccoc1C[N+]1(C)CCOCC1	ZINC000003066119	355992801	/nfs/dbraw/zinc/99/28/01/355992801.db2.gz	CZYUCBXXWRFUMN-UHFFFAOYSA-N	1	0	254.306	1.433	50	5		CDBARO
Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000084189977	357884914	/nfs/dbraw/zinc/88/49/14/357884914.db2.gz	NMVQOVCVHYKWRT-PWSUYJOCSA-N	1	0	277.324	1.832	50	5		CDBARO
C[NH+](C)C1CCN(c2cccc([N+](=O)[O-])c2C=O)CC1	ZINC000095080969	374865462	/nfs/dbraw/zinc/86/54/62/374865462.db2.gz	YNEROKUYNRQZJG-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
COC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004133261	375889442	/nfs/dbraw/zinc/88/94/42/375889442.db2.gz	FPWSHRLBWOGOAC-VIFPVBQESA-N	1	0	284.312	1.737	50	5		CDBARO
Cc1c(C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000004785017	170017204	/nfs/dbraw/zinc/01/72/04/170017204.db2.gz	OJALNFMIPLBMKK-UHFFFAOYSA-N	1	0	251.286	1.195	50	5		CDBARO
[NH3+]CCNc1ncc([N+](=O)[O-])cc1Br	ZINC000086481874	539086903	/nfs/dbraw/zinc/08/69/03/539086903.db2.gz	AOCOATZNGWWUPM-UHFFFAOYSA-N	1	0	261.079	1.123	50	5		CDBARO
C[NH+](C)C1CCN(c2cc([N+](=O)[O-])ccc2C=O)CC1	ZINC000169725210	361787900	/nfs/dbraw/zinc/78/79/00/361787900.db2.gz	USCOQTXHISCFJZ-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
CC(C)(C)[NH2+][C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000100289058	358826412	/nfs/dbraw/zinc/82/64/12/358826412.db2.gz	HILZEJUHMCGOIB-LLVKDONJSA-N	1	0	291.307	1.615	50	5		CDBARO
Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000002935530	375375562	/nfs/dbraw/zinc/37/55/62/375375562.db2.gz	QEAVLLDXMJVFPM-JTQLQIEISA-N	1	0	279.340	1.831	50	5		CDBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1	ZINC000005069400	170063579	/nfs/dbraw/zinc/06/35/79/170063579.db2.gz	GMKXDUGJTXJRHW-ZDUSSCGKSA-N	1	0	280.324	1.867	50	5		CDBARO
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000044556158	303396501	/nfs/dbraw/zinc/39/65/01/303396501.db2.gz	JUMYMFSJTQHOLC-NSHDSACASA-N	1	0	299.352	1.097	50	5		CDBARO
Cc1ccc(OCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000004480168	356362459	/nfs/dbraw/zinc/36/24/59/356362459.db2.gz	GLZLBFJDJDTYHC-UHFFFAOYSA-N	1	0	265.313	1.187	50	5		CDBARO
C[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000004977621	359983327	/nfs/dbraw/zinc/98/33/27/359983327.db2.gz	ZCKBBRCKFYVUCI-UHFFFAOYSA-N	1	0	279.296	1.071	50	5		CDBARO
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000000032694	285137311	/nfs/dbraw/zinc/13/73/11/285137311.db2.gz	HUKIYIZTJIPXIR-CYBMUJFWSA-N	1	0	280.324	1.820	50	5		CDBARO
C[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000004749756	170011359	/nfs/dbraw/zinc/01/13/59/170011359.db2.gz	APUPKPHYWRRQGK-UHFFFAOYSA-N	1	0	263.297	1.419	50	5		CDBARO
C[NH+]1CCN(CCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004842713	170028877	/nfs/dbraw/zinc/02/88/77/170028877.db2.gz	HBGQDRDKPLOSOW-UHFFFAOYSA-N	1	0	279.340	1.611	50	5		CDBARO
CCCC[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004844663	170029386	/nfs/dbraw/zinc/02/93/86/170029386.db2.gz	XOEGNJHJICSFJV-UHFFFAOYSA-N	1	0	251.286	1.923	50	5		CDBARO
COC[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000004997336	170052165	/nfs/dbraw/zinc/05/21/65/170052165.db2.gz	PSFXBQOKVMDECA-MRVPVSSYSA-N	1	0	268.269	1.448	50	5		CDBARO
O=[N+]([O-])c1cccc2nc(C[n+]3ccccc3)[nH]c21	ZINC000000384348	359650941	/nfs/dbraw/zinc/65/09/41/359650941.db2.gz	YYKHYAMLOLMVJQ-UHFFFAOYSA-N	1	0	255.257	1.807	50	5		CDBARO
NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000055292038	374462844	/nfs/dbraw/zinc/46/28/44/374462844.db2.gz	QQDZWCIDUGRUIJ-LLVKDONJSA-N	1	0	263.297	1.292	50	5		CDBARO
COC[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000097083876	375143818	/nfs/dbraw/zinc/14/38/18/375143818.db2.gz	QJZQVQTXOREBTL-NSHDSACASA-N	1	0	291.307	1.871	50	5		CDBARO
O=[N+]([O-])c1ccccc1OCC[NH2+]C[C@H]1CCCO1	ZINC000003247118	285164537	/nfs/dbraw/zinc/16/45/37/285164537.db2.gz	FDTQNSRSJOEOLG-LLVKDONJSA-N	1	0	266.297	1.742	50	5		CDBARO
CNC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000088607994	391442915	/nfs/dbraw/zinc/44/29/15/391442915.db2.gz	BOQRWZPFICRCFC-UHFFFAOYSA-N	1	0	263.297	1.089	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c2ncccc12	ZINC000003877856	275036566	/nfs/dbraw/zinc/03/65/66/275036566.db2.gz	NOFLBEAANHNPIK-UHFFFAOYSA-N	1	0	258.281	1.553	50	5		CDBARO
C[NH+](C)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C12CCC2	ZINC000585117975	930978228	/nfs/dbraw/zinc/97/82/28/930978228.db2.gz	LEPUATLFOQZHGG-WDEREUQCSA-N	1	0	277.328	1.670	50	5		CDBARO
CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1	ZINC000129060488	362490511	/nfs/dbraw/zinc/49/05/11/362490511.db2.gz	JBHDEZQYPZOFOW-UHFFFAOYSA-N	1	0	277.324	1.714	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NC1CC1	ZINC000004182712	377791762	/nfs/dbraw/zinc/79/17/62/377791762.db2.gz	PLIVQOBEHAUGLU-UHFFFAOYSA-N	1	0	262.313	1.579	50	5		CDBARO
O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCO2	ZINC000057547106	256877649	/nfs/dbraw/zinc/87/76/49/256877649.db2.gz	FUUXOAIGISMBRU-JTQLQIEISA-N	1	0	280.280	1.592	50	5		CDBARO
Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCCCC1	ZINC000004730288	170007093	/nfs/dbraw/zinc/00/70/93/170007093.db2.gz	PVALZSMWAJBNJP-UHFFFAOYSA-N	1	0	253.306	1.226	50	5		CDBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(OCCCO)CC2)cc1	ZINC000084398258	342262076	/nfs/dbraw/zinc/26/20/76/342262076.db2.gz	HSJWCWGGDQHNJY-UHFFFAOYSA-N	1	0	294.351	1.958	50	5		CDBARO
O=[N+]([O-])c1ccc2[nH]c(N3CCC[NH2+]CC3)nc2c1	ZINC000094770062	285140272	/nfs/dbraw/zinc/14/02/72/285140272.db2.gz	ILUQVFHONGBQLT-UHFFFAOYSA-N	1	0	261.285	1.271	50	5		CDBARO
C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C	ZINC000004700910	170001489	/nfs/dbraw/zinc/00/14/89/170001489.db2.gz	VGNRVHHGEFDIGO-LLVKDONJSA-N	1	0	279.340	1.451	50	5		CDBARO
C[C@H]1CN(c2cc(N)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1	ZINC000005530018	363300951	/nfs/dbraw/zinc/30/09/51/363300951.db2.gz	YQVYGQPSYBRFRA-IUCAKERBSA-N	1	0	250.302	1.364	50	5		CDBARO
C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C	ZINC000002824547	355983099	/nfs/dbraw/zinc/98/30/99/355983099.db2.gz	NHNBVPWRHORSMN-JTQLQIEISA-N	1	0	265.313	1.522	50	5		CDBARO
C[N+]1(C[C@H]2COC3(CCCCC3)O2)CCOCC1	ZINC000000202469	359297505	/nfs/dbraw/zinc/29/75/05/359297505.db2.gz	XGAVRSHGIBDPMJ-ZDUSSCGKSA-N	1	0	256.366	1.539	50	5		CDBARO
CN1C=CC(C(=O)NCCC[N+](C)(C)C)=C/C1=C\N=O	ZINC000015961537	367925229	/nfs/dbraw/zinc/92/52/29/367925229.db2.gz	LWHJSIZBXGUMTJ-ACCUITESSA-O	1	0	279.364	1.192	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H]2CCCO2)cc1	ZINC000003247105	375601853	/nfs/dbraw/zinc/60/18/53/375601853.db2.gz	PMKQXZUHPXLKAW-CYBMUJFWSA-N	1	0	266.297	1.742	50	5		CDBARO
Cc1ccc(OCCCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000002839480	292167372	/nfs/dbraw/zinc/16/73/72/292167372.db2.gz	HUUDKJBFORKQHD-UHFFFAOYSA-N	1	0	293.367	1.967	50	5		CDBARO
Cc1ccc(OCCC[NH2+]C[C@H](C)O)c([N+](=O)[O-])c1	ZINC000008718103	170349163	/nfs/dbraw/zinc/34/91/63/170349163.db2.gz	PVDQYNFJSHOCEN-NSHDSACASA-N	1	0	268.313	1.643	50	5		CDBARO
O=[N+]([O-])c1ccc2c(CN3CC[NH2+]CC3)c[nH]c2c1	ZINC000261507079	190039885	/nfs/dbraw/zinc/03/98/85/190039885.db2.gz	FBTAVBSOEZTENF-UHFFFAOYSA-N	1	0	260.297	1.481	50	5		CDBARO
O=C(CN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005093849	170065832	/nfs/dbraw/zinc/06/58/32/170065832.db2.gz	JHATUMHVKJKULS-UHFFFAOYSA-N	1	0	298.730	1.092	50	5		CDBARO
CC[N+](C)(CC)CCNC(=O)C1=CN(C)/C(=C\N=O)C=C1	ZINC000038178447	344991039	/nfs/dbraw/zinc/99/10/39/344991039.db2.gz	BUQYCSRBEIQKDK-KAMYIIQDSA-O	1	0	293.391	1.582	50	5		CDBARO
Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2cccc([N+](=O)[O-])c2)n1	ZINC000018107030	373989550	/nfs/dbraw/zinc/98/95/50/373989550.db2.gz	AJUMTJKQYYPVAK-UHFFFAOYSA-N	1	0	288.267	1.445	50	5		CDBARO
COc1cc(CSC(N)=[NH2+])c([N+](=O)[O-])cc1OC	ZINC000004543517	169981318	/nfs/dbraw/zinc/98/13/18/169981318.db2.gz	IWLYVQXXOSWGCJ-UHFFFAOYSA-N	1	0	271.298	1.739	50	5		CDBARO
C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000029957879	260139262	/nfs/dbraw/zinc/13/92/62/260139262.db2.gz	ABPSBRQIXBWAHW-NSHDSACASA-N	1	0	293.323	1.045	50	5		CDBARO
CCOC(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000015443386	276299507	/nfs/dbraw/zinc/29/95/07/276299507.db2.gz	MORZRCXNYYBTRA-JTQLQIEISA-N	1	0	293.323	1.570	50	5		CDBARO
C[NH2+]CCNc1ncc([N+](=O)[O-])cc1Br	ZINC000086482115	357246073	/nfs/dbraw/zinc/24/60/73/357246073.db2.gz	DJLOQUFJBTZIBE-UHFFFAOYSA-N	1	0	275.106	1.384	50	5		CDBARO
COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000095431274	357455211	/nfs/dbraw/zinc/45/52/11/357455211.db2.gz	PALWJAIIKCQHIO-UHFFFAOYSA-N	1	0	280.324	1.880	50	5		CDBARO
Cc1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000093808691	372045700	/nfs/dbraw/zinc/04/57/00/372045700.db2.gz	KGONSXUJRPDFSU-LBPRGKRZSA-N	1	0	291.351	1.991	50	5		CDBARO
CC(=O)NCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000097083750	375144176	/nfs/dbraw/zinc/14/41/76/375144176.db2.gz	UUEJGKARFWXQKE-UHFFFAOYSA-N	1	0	288.307	1.999	50	5		CDBARO
C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012812489	391620414	/nfs/dbraw/zinc/62/04/14/391620414.db2.gz	IQXLXCPFGHDUPW-JTQLQIEISA-N	1	0	277.324	1.926	50	5		CDBARO
O=[N+]([O-])c1ccc2c(c1)nnn2C[NH+]1CCCCC1	ZINC000000297319	757301368	/nfs/dbraw/zinc/30/13/68/757301368.db2.gz	CUYCQRSCMSUBLW-UHFFFAOYSA-N	1	0	261.285	1.783	50	5		CDBARO
Cc1cc(NCCOCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000095997027	185061080	/nfs/dbraw/zinc/06/10/80/185061080.db2.gz	VRYUEDVHEDEFIM-UHFFFAOYSA-N	1	0	267.329	1.893	50	5		CDBARO
Cc1cc(OCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000020117879	356526311	/nfs/dbraw/zinc/52/63/11/356526311.db2.gz	ZSFOKJYVTQSSKV-UHFFFAOYSA-N	1	0	279.340	1.529	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](O)C2	ZINC000000178979	359259117	/nfs/dbraw/zinc/25/91/17/359259117.db2.gz	HGUJHFLMLANSQL-WMEQCIOUSA-N	1	0	263.317	1.696	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCCN2CC[NH+](C)CC2)c1	ZINC000004842563	170029072	/nfs/dbraw/zinc/02/90/72/170029072.db2.gz	LCENFUGIKOOFAS-UHFFFAOYSA-N	1	0	279.340	1.529	50	5		CDBARO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CC[NH+]1CCCC1	ZINC000006473375	170203796	/nfs/dbraw/zinc/20/37/96/170203796.db2.gz	HQXRNXMUDOZDTR-LBPRGKRZSA-N	1	0	291.307	1.780	50	5		CDBARO
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH+]2CCCCC2)cc1	ZINC000096027511	351475403	/nfs/dbraw/zinc/47/54/03/351475403.db2.gz	PJWKHFUUONPSEU-KGLIPLIRSA-N	1	0	280.324	1.475	50	5		CDBARO
CC(C)C[NH2+][C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000100936634	356958918	/nfs/dbraw/zinc/95/89/18/356958918.db2.gz	QLIZTWBNBAQCDH-LBPRGKRZSA-N	1	0	291.307	1.472	50	5		CDBARO
C[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC000097096429	357953420	/nfs/dbraw/zinc/95/34/20/357953420.db2.gz	SMNFUNRHPMXVMV-WDEREUQCSA-N	1	0	252.318	1.960	50	5		CDBARO
C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000002857206	375349400	/nfs/dbraw/zinc/34/94/00/375349400.db2.gz	NHURYSIPVRSKDO-UHFFFAOYSA-N	1	0	278.312	1.811	50	5		CDBARO
Cc1c(C[N+](C)(C)C)c(=O)n(-c2ccccc2)n1C	ZINC000000396388	169629432	/nfs/dbraw/zinc/62/94/32/169629432.db2.gz	KCHKCDHNKGXOCA-UHFFFAOYSA-N	1	0	260.361	1.691	50	5		CDBARO
O=[N+]([O-])c1ccc2nc(N3CC[NH2+]CC3)sc2c1	ZINC000000242027	285149039	/nfs/dbraw/zinc/14/90/39/285149039.db2.gz	RBZWYLUVTPLLOU-UHFFFAOYSA-N	1	0	264.310	1.614	50	5		CDBARO
C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C	ZINC000002824548	169835343	/nfs/dbraw/zinc/83/53/43/169835343.db2.gz	NHNBVPWRHORSMN-SNVBAGLBSA-N	1	0	265.313	1.522	50	5		CDBARO
C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004868846	170034271	/nfs/dbraw/zinc/03/42/71/170034271.db2.gz	MZWDLVGMOCMFGR-UHFFFAOYSA-N	1	0	265.313	1.221	50	5		CDBARO
C[N+]1(C[C@@H]2COC3(CCCCC3)O2)CCOCC1	ZINC000000202473	359297424	/nfs/dbraw/zinc/29/74/24/359297424.db2.gz	XGAVRSHGIBDPMJ-CYBMUJFWSA-N	1	0	256.366	1.539	50	5		CDBARO
NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000055292037	374463508	/nfs/dbraw/zinc/46/35/08/374463508.db2.gz	QQDZWCIDUGRUIJ-NSHDSACASA-N	1	0	263.297	1.292	50	5		CDBARO
O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH2+]CC2)c1	ZINC000033364204	171786659	/nfs/dbraw/zinc/78/66/59/171786659.db2.gz	HYQBAZQOCQLDQM-UHFFFAOYSA-N	1	0	255.705	1.653	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	ZINC000004543479	356394403	/nfs/dbraw/zinc/39/44/03/356394403.db2.gz	HGWDCOBLBPWUHJ-UHFFFAOYSA-N	1	0	276.340	1.921	50	5		CDBARO
O=C(O[C@@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1	ZINC000000135977	359133292	/nfs/dbraw/zinc/13/32/92/359133292.db2.gz	RAIALHYEHNJLIA-CYBMUJFWSA-N	1	0	276.292	1.846	50	5		CDBARO
CC[N@@+]1(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252441333	367428667	/nfs/dbraw/zinc/42/86/67/367428667.db2.gz	QIVWXVZLBPQWKQ-NZLHIXKWSA-N	1	0	296.387	1.335	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1	ZINC000095349631	374886518	/nfs/dbraw/zinc/88/65/18/374886518.db2.gz	JDFFWDLFEARPMP-CHWSQXEVSA-N	1	0	292.339	1.025	50	5		CDBARO
C[C@@H](O)C[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-]	ZINC000004156888	375894847	/nfs/dbraw/zinc/89/48/47/375894847.db2.gz	RWYKAWYSJIOERS-MRVPVSSYSA-N	1	0	273.720	1.631	50	5		CDBARO
CCCOc1ccc(C[NH+](CCO)CCO)cc1[N+](=O)[O-]	ZINC000001843330	376155856	/nfs/dbraw/zinc/15/58/56/376155856.db2.gz	XGGXRCYRQWIEGS-UHFFFAOYSA-N	1	0	298.339	1.170	50	5		CDBARO
C[NH+](C)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000037248054	173060931	/nfs/dbraw/zinc/06/09/31/173060931.db2.gz	PLVWSQMCJYXINF-UHFFFAOYSA-N	1	0	255.249	1.025	50	5		CDBARO
Cc1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1	ZINC000095973721	280863400	/nfs/dbraw/zinc/86/34/00/280863400.db2.gz	OJNJVTRMHIUDEJ-UHFFFAOYSA-N	1	0	265.313	1.193	50	5		CDBARO
CCOC(=O)c1ccc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1	ZINC000015443388	356416607	/nfs/dbraw/zinc/41/66/07/356416607.db2.gz	MORZRCXNYYBTRA-SNVBAGLBSA-N	1	0	293.323	1.570	50	5		CDBARO
COCC[NH2+]CCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003000309	169848354	/nfs/dbraw/zinc/84/83/54/169848354.db2.gz	VUZUPIRXIUTTSM-UHFFFAOYSA-N	1	0	254.286	1.518	50	5		CDBARO
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CC[NH+]1CCCC1	ZINC000006473374	170203778	/nfs/dbraw/zinc/20/37/78/170203778.db2.gz	HQXRNXMUDOZDTR-GFCCVEGCSA-N	1	0	291.307	1.780	50	5		CDBARO
CC1=C[C@H](C)[C@@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@@H]2C1	ZINC000101138424	278509147	/nfs/dbraw/zinc/50/91/47/278509147.db2.gz	GOEBHGSAJXXUNJ-MJBXVCDLSA-N	1	0	279.404	1.670	50	5		CDBARO
O=[N+]([O-])c1ccc(NCC[NH2+]CCO)c(Cl)c1	ZINC000004587883	356429449	/nfs/dbraw/zinc/42/94/49/356429449.db2.gz	ZDFPMINOGMCWFU-UHFFFAOYSA-N	1	0	259.693	1.242	50	5		CDBARO
COc1cc(C[NH2+][C@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	ZINC000095462191	374959847	/nfs/dbraw/zinc/95/98/47/374959847.db2.gz	ZXJQWCJNXVXWEO-LLVKDONJSA-N	1	0	290.323	1.978	50	5		CDBARO
C[N+](C)(C)CCCOC(=O)[C@@H]1OCCc2ccccc21	ZINC000002154004	169777189	/nfs/dbraw/zinc/77/71/89/169777189.db2.gz	KSIHMBFKJABZSB-OAHLLOKOSA-N	1	0	278.372	1.940	50	5	biogenic	CDBARO
Cc1ccc(OC[C@H]2[NH2+]CCS2)cc1[N+](=O)[O-]	ZINC000020390607	171179288	/nfs/dbraw/zinc/17/92/88/171179288.db2.gz	PDQTWEZRPLDAPK-NSHDSACASA-N	1	0	254.311	1.945	50	5		CDBARO
C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000097052051	567903708	/nfs/dbraw/zinc/90/37/08/567903708.db2.gz	IMLXAQDSLMXKOE-UHFFFAOYSA-N	1	0	286.719	1.931	50	5		CDBARO
CCC[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000124893514	187159498	/nfs/dbraw/zinc/15/94/98/187159498.db2.gz	YPTJWENIOWLSKT-SECBINFHSA-N	1	0	287.341	1.001	50	5		CDBARO
COc1cc2c(cc1OC)[C@H](C)[N@@+](C)(CCO)CC2	ZINC000253389838	373681790	/nfs/dbraw/zinc/68/17/90/373681790.db2.gz	QTDLNPKJXHKAKD-MEDUHNTESA-N	1	0	266.361	1.760	50	5	biogenic	CDBARO
Cc1c(C(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-]	ZINC000002743270	375309765	/nfs/dbraw/zinc/30/97/65/375309765.db2.gz	BLMJDDFBTNLKSW-UHFFFAOYSA-N	1	0	265.313	1.585	50	5		CDBARO
[NH3+]CCNc1cc(N2CCCC2)ccc1[N+](=O)[O-]	ZINC000004131909	169936736	/nfs/dbraw/zinc/93/67/36/169936736.db2.gz	YSKNZJMLYJQBGE-UHFFFAOYSA-N	1	0	250.302	1.566	50	5		CDBARO
C[NH+](C)CCCNc1ccc2nonc2c1[N+](=O)[O-]	ZINC000004833684	170025992	/nfs/dbraw/zinc/02/59/92/170025992.db2.gz	PXFJWLXZJVOUAV-UHFFFAOYSA-N	1	0	265.273	1.495	50	5		CDBARO
Cc1ccc(CN2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000092754077	361890028	/nfs/dbraw/zinc/89/00/28/361890028.db2.gz	NUGHLBVSNRDNAM-UHFFFAOYSA-N	1	0	292.339	1.490	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1CO	ZINC000023115257	358032444	/nfs/dbraw/zinc/03/24/44/358032444.db2.gz	RAIQBNQSSUCADQ-LBPRGKRZSA-N	1	0	250.298	1.942	50	5		CDBARO
COC(=O)c1ccc(C[N+](C)(C)CN2CCCC2=O)cc1	ZINC000000180381	359261602	/nfs/dbraw/zinc/26/16/02/359261602.db2.gz	RWBNHRCTFMTIER-UHFFFAOYSA-N	1	0	291.371	1.630	50	5		CDBARO
C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)[S@@](C)=O	ZINC000095436247	374937671	/nfs/dbraw/zinc/93/76/71/374937671.db2.gz	BCRLWBAEDAPCGP-XYZCENFISA-N	1	0	256.327	1.451	50	5		CDBARO
COCC[NH2+]CCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003460821	375708851	/nfs/dbraw/zinc/70/88/51/375708851.db2.gz	QKJJCXJOZDVYKT-UHFFFAOYSA-N	1	0	268.313	1.908	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(SCCO)c2)CC1	ZINC000004179838	375908842	/nfs/dbraw/zinc/90/88/42/375908842.db2.gz	UOXLQDAUEFLGBN-UHFFFAOYSA-N	1	0	297.380	1.431	50	5		CDBARO
[NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000089091783	295273703	/nfs/dbraw/zinc/27/37/03/295273703.db2.gz	GNMJJMKZNVAKPG-BXKDBHETSA-N	1	0	299.352	1.001	50	5		CDBARO
COc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000005077394	170064559	/nfs/dbraw/zinc/06/45/59/170064559.db2.gz	BSILJAXGVZKKSJ-SNVBAGLBSA-N	1	0	295.339	1.531	50	5		CDBARO
CC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]CC1	ZINC000125639907	187194265	/nfs/dbraw/zinc/19/42/65/187194265.db2.gz	ZKPWFPVDLIAFAN-UHFFFAOYSA-N	1	0	295.314	1.853	50	5		CDBARO
Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000084189981	357886465	/nfs/dbraw/zinc/88/64/65/357886465.db2.gz	NMVQOVCVHYKWRT-ZYHUDNBSSA-N	1	0	277.324	1.832	50	5		CDBARO
CCN(CC)c1cc(N2CC[NH2+]CC2)c([N+](=O)[O-])cc1F	ZINC000004571321	390216713	/nfs/dbraw/zinc/21/67/13/390216713.db2.gz	JVECBELGRWGPAO-UHFFFAOYSA-N	1	0	296.346	1.990	50	5		CDBARO
CN(C)CC[NH2+]CCCCOc1cccc([N+](=O)[O-])c1	ZINC000005049502	170061157	/nfs/dbraw/zinc/06/11/57/170061157.db2.gz	LQJJFHFZXBNAPE-UHFFFAOYSA-N	1	0	281.356	1.905	50	5		CDBARO
C[NH+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009385147	170375586	/nfs/dbraw/zinc/37/55/86/170375586.db2.gz	PSOSTTFAVGFJAR-UHFFFAOYSA-N	1	0	252.274	1.278	50	5		CDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)C[C@H](C)[NH2+]1	ZINC000005276215	274594419	/nfs/dbraw/zinc/59/44/19/274594419.db2.gz	OTASVJFNJXDROV-IUCAKERBSA-N	1	0	250.302	1.364	50	5		CDBARO
COc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	ZINC000095462190	374959711	/nfs/dbraw/zinc/95/97/11/374959711.db2.gz	ZXJQWCJNXVXWEO-NSHDSACASA-N	1	0	290.323	1.978	50	5		CDBARO
C[N+]1(C[C@@H](O)COc2ccccc2F)CCOCC1	ZINC000003180615	375578679	/nfs/dbraw/zinc/57/86/79/375578679.db2.gz	KQENXQPWLUROFM-GFCCVEGCSA-N	1	0	270.324	1.042	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1	ZINC000226461371	263025161	/nfs/dbraw/zinc/02/51/61/263025161.db2.gz	FHHZJANUXKSFJB-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
[NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000089091784	303425052	/nfs/dbraw/zinc/42/50/52/303425052.db2.gz	GNMJJMKZNVAKPG-SKDRFNHKSA-N	1	0	299.352	1.001	50	5		CDBARO
C[N@@H+]1CCCC[C@H]1CCSc1ncc([N+](=O)[O-])c(N)n1	ZINC000521394975	357237232	/nfs/dbraw/zinc/23/72/32/357237232.db2.gz	JXHDLFCMZDUPPP-VIFPVBQESA-N	1	0	297.384	1.764	50	5		CDBARO
C[N+]1(CCOc2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000004018229	375843911	/nfs/dbraw/zinc/84/39/11/375843911.db2.gz	HIKQCBARIKSEQY-UHFFFAOYSA-N	1	0	267.305	1.450	50	5		CDBARO
COc1ccc(NC(=O)NCCC[NH+](C)C)c([N+](=O)[O-])c1	ZINC000012733774	377548388	/nfs/dbraw/zinc/54/83/88/377548388.db2.gz	KZCWRUPVIVGCGQ-UHFFFAOYSA-N	1	0	296.327	1.677	50	5		CDBARO
CS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000004216122	169944482	/nfs/dbraw/zinc/94/44/82/169944482.db2.gz	ULSPPJWACQMNOF-UHFFFAOYSA-N	1	0	299.352	1.162	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C)CC1	ZINC000078578629	177356056	/nfs/dbraw/zinc/35/60/56/177356056.db2.gz	UKSDJZMBQMZWJB-UHFFFAOYSA-N	1	0	293.323	1.884	50	5		CDBARO
CCOC[C@H](O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000107050078	186156963	/nfs/dbraw/zinc/15/69/63/186156963.db2.gz	HDHLFFMAWCCLML-BXUZGUMPSA-N	1	0	282.340	1.985	50	5		CDBARO
C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239782579	363368441	/nfs/dbraw/zinc/36/84/41/363368441.db2.gz	CPKDXGJMVXIOES-ZJUUUORDSA-N	1	0	267.329	1.989	50	5		CDBARO
CC(C)[NH2+]C[C@@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	ZINC000000896836	391374736	/nfs/dbraw/zinc/37/47/36/391374736.db2.gz	XCGYUJZMCCFSRP-LBPRGKRZSA-N	1	0	279.340	1.812	50	5	world	CDBARO
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000089091785	303408757	/nfs/dbraw/zinc/40/87/57/303408757.db2.gz	GNMJJMKZNVAKPG-JOYOIKCWSA-N	1	0	299.352	1.001	50	5		CDBARO
CC[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000088616518	366076400	/nfs/dbraw/zinc/07/64/00/366076400.db2.gz	OJCPKRJFDSSBHW-CYBMUJFWSA-N	1	0	250.298	1.724	50	5		CDBARO
C[NH+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000089314333	377822146	/nfs/dbraw/zinc/82/21/46/377822146.db2.gz	NJXUFHDVGIYUSY-UHFFFAOYSA-N	1	0	276.296	1.368	50	5		CDBARO
CC(C)(C)[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000096418689	393185062	/nfs/dbraw/zinc/18/50/62/393185062.db2.gz	APHXTJINKGGBBR-UHFFFAOYSA-N	1	0	283.303	1.852	50	5		CDBARO
Cc1ccnc(N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-]	ZINC000585092812	362021485	/nfs/dbraw/zinc/02/14/85/362021485.db2.gz	OYBQAQLEAABRGS-UHFFFAOYSA-N	1	0	262.313	1.583	50	5		CDBARO
CN(C)CC(C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071772747	358846319	/nfs/dbraw/zinc/84/63/19/358846319.db2.gz	IDOQIVCBQMDERR-UHFFFAOYSA-N	1	0	295.339	1.243	50	5		CDBARO
C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])s2)CC1	ZINC000000238896	359355405	/nfs/dbraw/zinc/35/54/05/359355405.db2.gz	GBHZSHONVQIEDE-UHFFFAOYSA-N	1	0	255.343	1.794	50	5		CDBARO
Cc1ccc(OCCCC[NH2+]CCN)c([N+](=O)[O-])c1	ZINC000003000937	375502366	/nfs/dbraw/zinc/50/23/66/375502366.db2.gz	FCDRPLHEZGVPDI-UHFFFAOYSA-N	1	0	267.329	1.611	50	5		CDBARO
Cn1c[n+](-c2ccc([N+](=O)[O-])cn2)c2ccccc21	ZINC000000337789	390811785	/nfs/dbraw/zinc/81/17/85/390811785.db2.gz	ZDUWVRMYXRPPOX-UHFFFAOYSA-N	1	0	255.257	1.758	50	5		CDBARO
C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC000097096428	278470939	/nfs/dbraw/zinc/47/09/39/278470939.db2.gz	SMNFUNRHPMXVMV-GHMZBOCLSA-N	1	0	252.318	1.960	50	5		CDBARO
C[N+](C)(C)CCS(=O)(=O)CCc1ccccc1	ZINC000071785285	280177755	/nfs/dbraw/zinc/17/77/55/280177755.db2.gz	APVWSQKXTLRAPQ-UHFFFAOYSA-N	1	0	256.391	1.350	50	5		CDBARO
[NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000125145907	351403021	/nfs/dbraw/zinc/40/30/21/351403021.db2.gz	OBCRDRKAYPZJNR-NXEZZACHSA-N	1	0	299.352	1.143	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[C@H]2CCC[NH2+]C2)nc1	ZINC000042774149	364622920	/nfs/dbraw/zinc/62/29/20/364622920.db2.gz	NNVRDYLKMBJQFN-SNVBAGLBSA-N	1	0	251.286	1.758	50	5		CDBARO
C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004989038	170050043	/nfs/dbraw/zinc/05/00/43/170050043.db2.gz	JGDZLXJNCQPGMT-GQCTYLIASA-N	1	0	261.325	1.855	50	5		CDBARO
C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850141	180046189	/nfs/dbraw/zinc/04/61/89/180046189.db2.gz	IUCOROLDKWZBSJ-ZWNOBZJWSA-N	1	0	266.297	1.397	50	5		CDBARO
CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000000187897	359263437	/nfs/dbraw/zinc/26/34/37/359263437.db2.gz	UKFQFXXEDHLNRJ-UHFFFAOYSA-N	1	0	267.285	1.717	50	5		CDBARO
Cc1cc(OCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000002839814	375342647	/nfs/dbraw/zinc/34/26/47/375342647.db2.gz	JWTKIQMFCXUIKB-UHFFFAOYSA-N	1	0	279.340	1.577	50	5		CDBARO
C[C@H](O)C[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004156876	375894438	/nfs/dbraw/zinc/89/44/38/375894438.db2.gz	SFBLWALWAIFDJS-QMMMGPOBSA-N	1	0	273.720	1.631	50	5		CDBARO
O=[N+]([O-])CC1(O)CC[NH+](Cc2ccccc2)CC1	ZINC000072194137	176336918	/nfs/dbraw/zinc/33/69/18/176336918.db2.gz	KROYZEIFJNHYOI-UHFFFAOYSA-N	1	0	250.298	1.290	50	5		CDBARO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@@H]2CO)c1	ZINC000195570195	342628866	/nfs/dbraw/zinc/62/88/66/342628866.db2.gz	JFIGOTMBFRJSAJ-VHDGCEQUSA-N	1	0	294.351	1.769	50	5		CDBARO
[NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000044556155	359095270	/nfs/dbraw/zinc/09/52/70/359095270.db2.gz	JUMYMFSJTQHOLC-LLVKDONJSA-N	1	0	299.352	1.097	50	5		CDBARO
COC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C)CC1	ZINC000521395084	374240815	/nfs/dbraw/zinc/24/08/15/374240815.db2.gz	GNSQHOSSBUWSPD-UHFFFAOYSA-N	1	0	293.323	1.888	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCCN2CC[NH2+]CC2)c1	ZINC000004986387	170049645	/nfs/dbraw/zinc/04/96/45/170049645.db2.gz	UCIOPBNGIYMPAF-UHFFFAOYSA-N	1	0	265.313	1.187	50	5		CDBARO
CC[N+](C)(CC)CCNC(=O)C1=CN(C)/C(=C/N=O)C=C1	ZINC000038178448	344991059	/nfs/dbraw/zinc/99/10/59/344991059.db2.gz	BUQYCSRBEIQKDK-SDNWHVSQSA-O	1	0	293.391	1.582	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC000004321354	356234967	/nfs/dbraw/zinc/23/49/67/356234967.db2.gz	ODAGIQIWCQSUQH-DTORHVGOSA-N	1	0	280.284	1.690	50	5		CDBARO
NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000055292076	374463375	/nfs/dbraw/zinc/46/33/75/374463375.db2.gz	QHVKVJIMPMTVOI-NSHDSACASA-N	1	0	263.297	1.292	50	5		CDBARO
C[NH+](C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000003378729	375671173	/nfs/dbraw/zinc/67/11/73/375671173.db2.gz	AOMBDXIKWAKPSV-UHFFFAOYSA-N	1	0	283.353	1.365	50	5		CDBARO
Cc1ccc(OC[C@H]2[NH2+]CCS2)c([N+](=O)[O-])c1	ZINC000020219282	171081693	/nfs/dbraw/zinc/08/16/93/171081693.db2.gz	HVXRYXDBZBPEJL-NSHDSACASA-N	1	0	254.311	1.945	50	5		CDBARO
CC(C)(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(N)=O	ZINC000096444989	526709014	/nfs/dbraw/zinc/70/90/14/526709014.db2.gz	LDKGRDCYJOHZQR-LLVKDONJSA-N	1	0	265.313	1.584	50	5		CDBARO
C[N+](C)(C)CCC(=O)c1ccc2c(c1)OCCO2	ZINC000004064778	230368177	/nfs/dbraw/zinc/36/81/77/230368177.db2.gz	GIOLHUVDWTVTPS-UHFFFAOYSA-N	1	0	250.318	1.737	50	5	biogenic	CDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2CO)c1	ZINC000023115284	358032305	/nfs/dbraw/zinc/03/23/05/358032305.db2.gz	JBWHIBOYYSKOES-ZDUSSCGKSA-N	1	0	250.298	1.942	50	5		CDBARO
CCOc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000111044577	359168376	/nfs/dbraw/zinc/16/83/76/359168376.db2.gz	AFYYDDWMIXLCNV-UHFFFAOYSA-N	1	0	251.286	1.403	50	5		CDBARO
C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1	ZINC000004593351	390429567	/nfs/dbraw/zinc/42/95/67/390429567.db2.gz	UKMBHLNZJSXAEO-UHFFFAOYSA-N	1	0	272.308	1.895	50	5		CDBARO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2CO)c1	ZINC000252585538	342385677	/nfs/dbraw/zinc/38/56/77/342385677.db2.gz	JFIGOTMBFRJSAJ-NWANDNLSSA-N	1	0	294.351	1.769	50	5		CDBARO
CC(C)[NH+]1CCN(CCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000188293760	357614612	/nfs/dbraw/zinc/61/46/12/357614612.db2.gz	IKFLRDGEWWMYGC-UHFFFAOYSA-N	1	0	281.360	1.207	50	5		CDBARO
CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1	ZINC000084755215	358989995	/nfs/dbraw/zinc/98/99/95/358989995.db2.gz	YVYVWSVDYBINQI-UHFFFAOYSA-N	1	0	279.340	1.879	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[C@@H](O)C[NH+]1CCCCC1	ZINC000027987645	375170492	/nfs/dbraw/zinc/17/04/92/375170492.db2.gz	QNSORKDXNDKKPV-CYBMUJFWSA-N	1	0	264.325	1.984	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003214233	375589741	/nfs/dbraw/zinc/58/97/41/375589741.db2.gz	OFCCFFQHRWLVPP-UHFFFAOYSA-N	1	0	285.731	1.930	50	5		CDBARO
CC[NH+](CC)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003901110	169922661	/nfs/dbraw/zinc/92/26/61/169922661.db2.gz	DVRSXMIJEYOQSF-LBPRGKRZSA-N	1	0	291.307	1.569	50	5		CDBARO
CCC[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	ZINC000012627732	170501570	/nfs/dbraw/zinc/50/15/70/170501570.db2.gz	DJNNNFRAYDQOLU-UHFFFAOYSA-N	1	0	289.339	1.775	50	5		CDBARO
C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000029957881	260139283	/nfs/dbraw/zinc/13/92/83/260139283.db2.gz	ABPSBRQIXBWAHW-LLVKDONJSA-N	1	0	293.323	1.045	50	5		CDBARO
CC1(C)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)O1	ZINC000097103295	323207646	/nfs/dbraw/zinc/20/76/46/323207646.db2.gz	XVKCUSSMMIZKBG-SNVBAGLBSA-N	1	0	282.344	1.727	50	5		CDBARO
C[NH+]1CCN(CCCSc2ncccc2[N+](=O)[O-])CC1	ZINC000097098638	482456200	/nfs/dbraw/zinc/45/62/00/482456200.db2.gz	SVNKXSAQBNVHDX-UHFFFAOYSA-N	1	0	296.396	1.719	50	5		CDBARO
C[C@@H]1CC[NH2+][C@H](CNc2ncccc2[N+](=O)[O-])C1	ZINC000585092926	930923185	/nfs/dbraw/zinc/92/31/85/930923185.db2.gz	UONVIZVMVUGPGJ-ZJUUUORDSA-N	1	0	250.302	1.790	50	5		CDBARO
[NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981367	344941370	/nfs/dbraw/zinc/94/13/70/344941370.db2.gz	RBTOVHWKCCAALK-NXEZZACHSA-N	1	0	299.352	1.143	50	5		CDBARO
O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CCO)CCOC2)c1	ZINC000089780827	366933671	/nfs/dbraw/zinc/93/36/71/366933671.db2.gz	FYRSKMRURYIKHI-AWEZNQCLSA-N	1	0	280.324	1.474	50	5		CDBARO
COCCC[NH2+]CCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003003248	375504481	/nfs/dbraw/zinc/50/44/81/375504481.db2.gz	NNHBVMSCCUSVDM-UHFFFAOYSA-N	1	0	268.313	1.908	50	5		CDBARO
NC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000004987190	170049270	/nfs/dbraw/zinc/04/92/70/170049270.db2.gz	SFTGNNSWLGSSMZ-NSHDSACASA-N	1	0	263.297	1.292	50	5		CDBARO
CCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004988668	170049416	/nfs/dbraw/zinc/04/94/16/170049416.db2.gz	JPYKXDBPDQTHAK-UHFFFAOYSA-N	1	0	298.339	1.816	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1	ZINC000004182692	273900142	/nfs/dbraw/zinc/90/01/42/273900142.db2.gz	KYOGKWGGIMQUIL-UHFFFAOYSA-N	1	0	290.367	1.947	50	5		CDBARO
Cc1ccnc(N2CCc3[nH+]ccc(N)c3C2)c1[N+](=O)[O-]	ZINC000585092098	362011398	/nfs/dbraw/zinc/01/13/98/362011398.db2.gz	FFMZTLMSGPGROB-UHFFFAOYSA-N	1	0	285.307	1.838	50	5		CDBARO
COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+](C)C	ZINC000017008760	367005869	/nfs/dbraw/zinc/00/58/69/367005869.db2.gz	KSDGGIFNFFKGMO-UHFFFAOYSA-N	1	0	282.300	1.287	50	5		CDBARO
C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)C1CC1	ZINC000241287097	368988508	/nfs/dbraw/zinc/98/85/08/368988508.db2.gz	LJVZKZQMAMWZIZ-QMMMGPOBSA-N	1	0	256.331	1.803	50	5		CDBARO
C[NH+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000095433464	374934820	/nfs/dbraw/zinc/93/48/20/374934820.db2.gz	HUHQYFAOYAOMRX-UHFFFAOYSA-N	1	0	285.731	1.469	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1	ZINC000226462122	375110602	/nfs/dbraw/zinc/11/06/02/375110602.db2.gz	MLYIIFTUOQGDLJ-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CC=CC1	ZINC000101449025	397796982	/nfs/dbraw/zinc/79/69/82/397796982.db2.gz	ZGQXBCHPVDPUGT-UHFFFAOYSA-N	1	0	289.335	1.895	50	5		CDBARO
C[NH+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000005051634	170061360	/nfs/dbraw/zinc/06/13/60/170061360.db2.gz	YLSHAKDULBAKOZ-UHFFFAOYSA-N	1	0	265.313	1.205	50	5		CDBARO
CC[N@@H+]1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-]	ZINC000021790595	171323837	/nfs/dbraw/zinc/32/38/37/171323837.db2.gz	AWHJHOOTFXYXFL-SNVBAGLBSA-N	1	0	250.302	1.886	50	5		CDBARO
NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000097375144	342002842	/nfs/dbraw/zinc/00/28/42/342002842.db2.gz	JQUUSPNPBYIGSU-STQMWFEESA-N	1	0	277.324	1.729	50	5		CDBARO
CN1C=C(C(=O)NCCCC[N+](C)(C)C)C=C/C1=C\N=O	ZINC000137176258	348757628	/nfs/dbraw/zinc/75/76/28/348757628.db2.gz	UQYQIAQAVIGJHM-SDNWHVSQSA-O	1	0	293.391	1.582	50	5		CDBARO
Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1	ZINC000032779327	356368446	/nfs/dbraw/zinc/36/84/46/356368446.db2.gz	AMKQUEYFPUFRBK-UHFFFAOYSA-N	1	0	279.344	1.393	50	5		CDBARO
CCNc1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-]	ZINC000019890384	374823391	/nfs/dbraw/zinc/82/33/91/374823391.db2.gz	LTTFSTAUASCREF-UHFFFAOYSA-N	1	0	294.355	1.141	50	5		CDBARO
C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)[S@](C)=O	ZINC000095436246	374938124	/nfs/dbraw/zinc/93/81/24/374938124.db2.gz	BCRLWBAEDAPCGP-VVVCHXIZSA-N	1	0	256.327	1.451	50	5		CDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1	ZINC000004179349	391938649	/nfs/dbraw/zinc/93/86/49/391938649.db2.gz	MKUHRNFZJODRNV-QMMMGPOBSA-N	1	0	266.257	1.301	50	5		CDBARO
C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000004978422	170048239	/nfs/dbraw/zinc/04/82/39/170048239.db2.gz	IYPBEDSFOKZICE-UHFFFAOYSA-N	1	0	269.732	1.996	50	5		CDBARO
CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000025051297	275941354	/nfs/dbraw/zinc/94/13/54/275941354.db2.gz	VYXQITKASVDRSK-UHFFFAOYSA-N	1	0	277.324	1.926	50	5		CDBARO
COc1cc(C[NH2+]CCc2cnn(C)c2)ccc1[N+](=O)[O-]	ZINC000095462197	358919850	/nfs/dbraw/zinc/91/98/50/358919850.db2.gz	AHDACEFPXHACQQ-UHFFFAOYSA-N	1	0	290.323	1.669	50	5		CDBARO
O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCO1)OCO2	ZINC000057547109	256877615	/nfs/dbraw/zinc/87/76/15/256877615.db2.gz	FUUXOAIGISMBRU-SNVBAGLBSA-N	1	0	280.280	1.592	50	5		CDBARO
O=[N+]([O-])c1cc(Br)cnc1N1CC[NH2+]CC1	ZINC000036226496	275032908	/nfs/dbraw/zinc/03/29/08/275032908.db2.gz	KEICYYFEZSTEIP-UHFFFAOYSA-N	1	0	287.117	1.162	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c2ccncc21	ZINC000009646652	275036663	/nfs/dbraw/zinc/03/66/63/275036663.db2.gz	ZTHVAURBKDIDJU-UHFFFAOYSA-N	1	0	258.281	1.553	50	5		CDBARO
C[N@H+](CCn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1	ZINC000097377174	356101455	/nfs/dbraw/zinc/10/14/55/356101455.db2.gz	IXLHTYWRZJXTJS-UHFFFAOYSA-N	1	0	279.275	1.457	50	5		CDBARO
CC(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000024165409	356653109	/nfs/dbraw/zinc/65/31/09/356653109.db2.gz	OJPNWKGJZCNFHG-UHFFFAOYSA-N	1	0	251.286	1.921	50	5		CDBARO
CC[NH+](CC)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000019848348	359141612	/nfs/dbraw/zinc/14/16/12/359141612.db2.gz	ZRRXXXGBVDGATC-LBPRGKRZSA-N	1	0	291.307	1.569	50	5		CDBARO
CC1=C[C@H](C)[C@@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@H]2C1	ZINC000239306216	376015664	/nfs/dbraw/zinc/01/56/64/376015664.db2.gz	GOEBHGSAJXXUNJ-IHRRRGAJSA-N	1	0	279.404	1.670	50	5		CDBARO
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1	ZINC000004623615	274362177	/nfs/dbraw/zinc/36/21/77/274362177.db2.gz	CNHUHUYYUWJDRI-OCAPTIKFSA-N	1	0	268.292	1.503	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000239386696	275036513	/nfs/dbraw/zinc/03/65/13/275036513.db2.gz	QAWKMLWGDOMDTO-NSHDSACASA-N	1	0	292.295	1.787	50	5		CDBARO
C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000195558797	278255384	/nfs/dbraw/zinc/25/53/84/278255384.db2.gz	YCIIEVJUCDOSFZ-VIFPVBQESA-N	1	0	265.313	1.757	50	5		CDBARO
CC(C)[N@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-]	ZINC000193405436	528824803	/nfs/dbraw/zinc/82/48/03/528824803.db2.gz	ZRJITHGFKPMVNR-UHFFFAOYSA-N	1	0	252.318	1.929	50	5		CDBARO
COc1ccc(C(=O)O[C@@H](C)C[N+](C)(C)C)cc1	ZINC000000215704	361974074	/nfs/dbraw/zinc/97/40/74/361974074.db2.gz	SONDGBVNSUUHNL-NSHDSACASA-N	1	0	252.334	1.947	50	5	biogenic	CDBARO
CC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000096461836	529702079	/nfs/dbraw/zinc/70/20/79/529702079.db2.gz	OJCPKRJFDSSBHW-ZDUSSCGKSA-N	1	0	250.298	1.724	50	5		CDBARO
COc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000002912028	375370419	/nfs/dbraw/zinc/37/04/19/375370419.db2.gz	MFCATFFYAWVXEO-UHFFFAOYSA-N	1	0	281.312	1.285	50	5	biogenic	CDBARO
COC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004133264	169936467	/nfs/dbraw/zinc/93/64/67/169936467.db2.gz	FPWSHRLBWOGOAC-SECBINFHSA-N	1	0	284.312	1.737	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1OCC1CC[NH2+]CC1	ZINC000014631515	359069450	/nfs/dbraw/zinc/06/94/50/359069450.db2.gz	IOMCRHRJCLBXAE-UHFFFAOYSA-N	1	0	266.297	1.982	50	5		CDBARO
C[N+](C)(C)CCOc1ccc2nc(N)sc2c1	ZINC000000216108	359321032	/nfs/dbraw/zinc/32/10/32/359321032.db2.gz	CFEFONLCNPKRCE-UHFFFAOYSA-N	1	0	252.363	1.964	50	5		CDBARO
Nc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	ZINC000095986287	185056782	/nfs/dbraw/zinc/05/67/82/185056782.db2.gz	NGAMUHLTTDTDGD-NSHDSACASA-N	1	0	276.340	1.503	50	5		CDBARO
Cc1nn(C)c(NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-]	ZINC000036749246	362913515	/nfs/dbraw/zinc/91/35/15/362913515.db2.gz	SSNAUOMMJULLHG-UHFFFAOYSA-N	1	0	269.349	1.636	50	5		CDBARO
NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000055292078	283320106	/nfs/dbraw/zinc/32/01/06/283320106.db2.gz	QHVKVJIMPMTVOI-LLVKDONJSA-N	1	0	263.297	1.292	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1	ZINC000014631826	359069926	/nfs/dbraw/zinc/06/99/26/359069926.db2.gz	QEBKZQAKWIAEHV-SNVBAGLBSA-N	1	0	252.270	1.734	50	5		CDBARO
[NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000109706123	374071495	/nfs/dbraw/zinc/07/14/95/374071495.db2.gz	CZLVOAHGCNPEJC-UHFFFAOYSA-N	1	0	299.352	1.145	50	5		CDBARO
Cc1ccnc(N2CC[C@H]([NH+]3CCC3)C2)c1[N+](=O)[O-]	ZINC000952883885	910459360	/nfs/dbraw/zinc/45/93/60/910459360.db2.gz	ZDSRDDPOJKANIA-NSHDSACASA-N	1	0	262.313	1.583	50	5		CDBARO
CCN1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	ZINC000000303973	359442758	/nfs/dbraw/zinc/44/27/58/359442758.db2.gz	VZQTXZQPKCGCDD-UHFFFAOYSA-N	1	0	293.323	1.381	50	5		CDBARO
O=[N+]([O-])c1cccc(Cl)c1NCC[NH2+]CCO	ZINC000004142137	375890534	/nfs/dbraw/zinc/89/05/34/375890534.db2.gz	FVOVJFXIDAGBNK-UHFFFAOYSA-N	1	0	259.693	1.242	50	5		CDBARO
CC[NH+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000004819644	170022872	/nfs/dbraw/zinc/02/28/72/170022872.db2.gz	DWQSWQCXMFRAFE-NSHDSACASA-N	1	0	268.313	1.676	50	5		CDBARO
O=C1CC2(CC[NH2+]CC2)Oc2ccc([N+](=O)[O-])cc21	ZINC000095495802	275016803	/nfs/dbraw/zinc/01/68/03/275016803.db2.gz	REHBKWIFSOCPQG-UHFFFAOYSA-N	1	0	262.265	1.682	50	5		CDBARO
CC(=O)N1CC[n+]2c(-c3cccc([N+](=O)[O-])c3)csc21	ZINC000000509397	366463658	/nfs/dbraw/zinc/46/36/58/366463658.db2.gz	BPVRWMABOLSYAW-UHFFFAOYSA-N	1	0	290.324	1.977	50	5		CDBARO
O=C(O[C@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1	ZINC000000135975	359133132	/nfs/dbraw/zinc/13/31/32/359133132.db2.gz	RAIALHYEHNJLIA-ZDUSSCGKSA-N	1	0	276.292	1.846	50	5		CDBARO
CC[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000055082792	374106134	/nfs/dbraw/zinc/10/61/34/374106134.db2.gz	UACONXXWPQMFNU-VMPITWQZSA-N	1	0	289.335	1.772	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003214223	375589598	/nfs/dbraw/zinc/58/95/98/375589598.db2.gz	MFKFGQFYHGRXFW-UHFFFAOYSA-N	1	0	296.283	1.185	50	5		CDBARO
O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1	ZINC000006092487	170175563	/nfs/dbraw/zinc/17/55/63/170175563.db2.gz	MUVROTJILUATRW-SECBINFHSA-N	1	0	250.254	1.500	50	5		CDBARO
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000038050123	756669724	/nfs/dbraw/zinc/66/97/24/756669724.db2.gz	DFQDKUQFMHCQSB-NXEZZACHSA-N	1	0	299.352	1.143	50	5		CDBARO
NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000097375146	342002757	/nfs/dbraw/zinc/00/27/57/342002757.db2.gz	JQUUSPNPBYIGSU-OLZOCXBDSA-N	1	0	277.324	1.729	50	5		CDBARO
C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	ZINC000094774142	374847024	/nfs/dbraw/zinc/84/70/24/374847024.db2.gz	RQYQGRFKCJRQNF-UHFFFAOYSA-N	1	0	253.277	1.481	50	5		CDBARO
COC[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000097083877	375143987	/nfs/dbraw/zinc/14/39/87/375143987.db2.gz	QJZQVQTXOREBTL-LLVKDONJSA-N	1	0	291.307	1.871	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)C[C@H](C)[NH2+]1	ZINC000005275387	274364349	/nfs/dbraw/zinc/36/43/49/274364349.db2.gz	OTASVJFNJXDROV-DTORHVGOSA-N	1	0	250.302	1.364	50	5		CDBARO
O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CC[NH2+]CC1	ZINC000004543928	275033716	/nfs/dbraw/zinc/03/37/16/275033716.db2.gz	VIIKTWJXHOLHTB-UHFFFAOYSA-N	1	0	294.330	1.744	50	5		CDBARO
CCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000000215712	359303700	/nfs/dbraw/zinc/30/37/00/359303700.db2.gz	KLLPNNXAYQIXKY-UHFFFAOYSA-N	1	0	251.330	1.978	50	5		CDBARO
CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000005262127	170080849	/nfs/dbraw/zinc/08/08/49/170080849.db2.gz	TXASLADVHFSMGP-UHFFFAOYSA-N	1	0	292.339	1.224	50	5		CDBARO
CC[NH+](CC)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000005688903	170129598	/nfs/dbraw/zinc/12/95/98/170129598.db2.gz	VQGURKBCDLMKIT-UHFFFAOYSA-N	1	0	294.355	1.838	50	5		CDBARO
C[C@@H](C[N+]1(C)CCOCC1)N1C(=O)c2ccccc2C1=O	ZINC000006183013	170181069	/nfs/dbraw/zinc/18/10/69/170181069.db2.gz	PFJIDXUCXMZKAM-LBPRGKRZSA-N	1	0	289.355	1.148	50	5		CDBARO
C[NH+](C)C1CCN(c2cccnc2[N+](=O)[O-])CC1	ZINC000169725779	276754886	/nfs/dbraw/zinc/75/48/86/276754886.db2.gz	ZVYOALWCERHAIM-UHFFFAOYSA-N	1	0	250.302	1.520	50	5		CDBARO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCCC1	ZINC000005068285	360152480	/nfs/dbraw/zinc/15/24/80/360152480.db2.gz	IGXXJWCKQNEELE-LBPRGKRZSA-N	1	0	280.324	1.867	50	5		CDBARO
C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004091904	374258044	/nfs/dbraw/zinc/25/80/44/374258044.db2.gz	WRTABGJDKVVZRN-UHFFFAOYSA-N	1	0	254.246	1.524	50	5		CDBARO
[NH3+]CCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000044075725	175140686	/nfs/dbraw/zinc/14/06/86/175140686.db2.gz	MXSODYDMEQMTKP-UHFFFAOYSA-N	1	0	287.341	1.002	50	5		CDBARO
[NH3+][C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000322161901	781741632	/nfs/dbraw/zinc/74/16/32/781741632.db2.gz	VRDNQBUFINZSTP-MGCOHNPYSA-N	1	0	299.352	1.143	50	5		CDBARO
CN(C)/C=C(\c1ccccc1)S(=O)(=O)CC[N+](C)(C)C	ZINC000071785287	363594171	/nfs/dbraw/zinc/59/41/71/363594171.db2.gz	TWVLFYUPCYYUNG-FYWRMAATSA-N	1	0	297.444	1.668	50	5		CDBARO
C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023421636	359130803	/nfs/dbraw/zinc/13/08/03/359130803.db2.gz	CDDSATAFEYARTB-UHFFFAOYSA-N	1	0	263.297	1.419	50	5		CDBARO
NC(=O)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000000160602	359172181	/nfs/dbraw/zinc/17/21/81/359172181.db2.gz	IVRWOTYKLNQSTR-UHFFFAOYSA-O	1	0	258.257	1.030	50	5		CDBARO
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccccn2)CC1	ZINC000008317474	376566489	/nfs/dbraw/zinc/56/64/89/376566489.db2.gz	FXHDPCMPAMJAMZ-UHFFFAOYSA-N	1	0	288.311	1.050	50	5		CDBARO
Cc1ccnc(N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-]	ZINC000585092366	930922059	/nfs/dbraw/zinc/92/20/59/930922059.db2.gz	SEMGRSGSQRPQRX-NWDGAFQWSA-N	1	0	276.340	1.971	50	5		CDBARO
COc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-]	ZINC000000179282	359224430	/nfs/dbraw/zinc/22/44/30/359224430.db2.gz	SWKTYZCCSUTJSP-UHFFFAOYSA-N	1	0	267.310	1.796	50	5		CDBARO
Nc1c(NC(=O)CC[n+]2ccccc2)cccc1[N+](=O)[O-]	ZINC000004661288	326812062	/nfs/dbraw/zinc/81/20/62/326812062.db2.gz	FMVIXEGDZFLEBU-UHFFFAOYSA-O	1	0	287.299	1.493	50	5		CDBARO
Cn1nnnc1SCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000016363673	370630584	/nfs/dbraw/zinc/63/05/84/370630584.db2.gz	TZYAZKBYJLLSGS-UHFFFAOYSA-N	1	0	294.340	1.000	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1	ZINC000003247108	375601290	/nfs/dbraw/zinc/60/12/90/375601290.db2.gz	PMKQXZUHPXLKAW-ZDUSSCGKSA-N	1	0	266.297	1.742	50	5		CDBARO
C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+](C)C	ZINC000004700909	170001405	/nfs/dbraw/zinc/00/14/05/170001405.db2.gz	VGNRVHHGEFDIGO-NSHDSACASA-N	1	0	279.340	1.451	50	5		CDBARO
NC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000004715701	170004223	/nfs/dbraw/zinc/00/42/23/170004223.db2.gz	NCSSQJNANFQSJM-UHFFFAOYSA-N	1	0	263.297	1.292	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1	ZINC000044492422	175180890	/nfs/dbraw/zinc/18/08/90/175180890.db2.gz	RQTOUJMWMCZVIQ-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000097375143	342002764	/nfs/dbraw/zinc/00/27/64/342002764.db2.gz	JQUUSPNPBYIGSU-QWHCGFSZSA-N	1	0	277.324	1.729	50	5		CDBARO
Cc1cc(=O)n(CC[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000089568490	360462824	/nfs/dbraw/zinc/46/28/24/360462824.db2.gz	BXIQFVKGDALSFR-UHFFFAOYSA-N	1	0	265.313	1.551	50	5		CDBARO
COc1c2c(cc3c1[C@H](C[C@@H](C)O)[N+](C)(C)CC3)OCO2	ZINC000000485788	365005253	/nfs/dbraw/zinc/00/52/53/365005253.db2.gz	JDHJUNPYLKPCMG-PWSUYJOCSA-N	1	0	294.371	1.868	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccccc1C[C@H](O)C[NH+]1CCCCC1	ZINC000027987650	375170582	/nfs/dbraw/zinc/17/05/82/375170582.db2.gz	QNSORKDXNDKKPV-ZDUSSCGKSA-N	1	0	264.325	1.984	50	5		CDBARO
Cc1cc(C(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000002801325	375332273	/nfs/dbraw/zinc/33/22/73/375332273.db2.gz	XRRRVNQSXOXWLK-UHFFFAOYSA-N	1	0	265.313	1.585	50	5		CDBARO
C[NH+](C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000005041450	170059704	/nfs/dbraw/zinc/05/97/04/170059704.db2.gz	CGVUMRRPWSWRNS-UHFFFAOYSA-N	1	0	268.342	1.443	50	5		CDBARO
C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC000097096426	357953593	/nfs/dbraw/zinc/95/35/93/357953593.db2.gz	SMNFUNRHPMXVMV-MNOVXSKESA-N	1	0	252.318	1.960	50	5		CDBARO
CC(C)C[NH2+][C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000017084901	367020938	/nfs/dbraw/zinc/02/09/38/367020938.db2.gz	QLIZTWBNBAQCDH-GFCCVEGCSA-N	1	0	291.307	1.472	50	5		CDBARO
CC[NH+](CC)C[C@@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	ZINC000002781176	375325612	/nfs/dbraw/zinc/32/56/12/375325612.db2.gz	YSWHVJXIDFDNAD-SECBINFHSA-N	1	0	297.359	1.097	50	5		CDBARO
O=[N+]([O-])c1ccc(OCCCN2CC[NH2+]CC2)cc1	ZINC000004985740	170049065	/nfs/dbraw/zinc/04/90/65/170049065.db2.gz	AHZBYRKJWYHWEO-UHFFFAOYSA-N	1	0	265.313	1.269	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1	ZINC000014631828	170640493	/nfs/dbraw/zinc/64/04/93/170640493.db2.gz	QEBKZQAKWIAEHV-JTQLQIEISA-N	1	0	252.270	1.734	50	5		CDBARO
[NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1	ZINC000595120162	343005771	/nfs/dbraw/zinc/00/57/71/343005771.db2.gz	PDDBAZNYPWKAQW-UHFFFAOYSA-N	1	0	299.352	1.145	50	5		CDBARO
C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1	ZINC000585117937	362046560	/nfs/dbraw/zinc/04/65/60/362046560.db2.gz	DTFSRKGLVPVBAK-NXEZZACHSA-N	1	0	251.290	1.279	50	5		CDBARO
CCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000107050081	186156484	/nfs/dbraw/zinc/15/64/84/186156484.db2.gz	HDHLFFMAWCCLML-RISCZKNCSA-N	1	0	282.340	1.985	50	5		CDBARO
C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000048462346	357186070	/nfs/dbraw/zinc/18/60/70/357186070.db2.gz	DVTYLNSGHHARGO-UHFFFAOYSA-N	1	0	250.302	1.520	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCCC[NH2+]C[C@H](C)O)c1	ZINC000002881346	375361494	/nfs/dbraw/zinc/36/14/94/375361494.db2.gz	PKRFDBXKSFOLDB-NSHDSACASA-N	1	0	268.313	1.643	50	5		CDBARO
CC(C)[NH2+]C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	ZINC000000000570	390222748	/nfs/dbraw/zinc/22/27/48/390222748.db2.gz	XCGYUJZMCCFSRP-GFCCVEGCSA-N	1	0	279.340	1.812	50	5	world	CDBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH+]2CCCCC2)cc1	ZINC000096027514	351475386	/nfs/dbraw/zinc/47/53/86/351475386.db2.gz	PJWKHFUUONPSEU-UONOGXRCSA-N	1	0	280.324	1.475	50	5		CDBARO
CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1([NH3+])CCC1	ZINC000094294537	363321803	/nfs/dbraw/zinc/32/18/03/363321803.db2.gz	CQNSZNZHFAZAKU-UHFFFAOYSA-N	1	0	277.324	1.825	50	5		CDBARO
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000089819063	366940596	/nfs/dbraw/zinc/94/05/96/366940596.db2.gz	MMBKPZLIMAEUCO-XQQFMLRXSA-N	1	0	281.356	1.129	50	5		CDBARO
Cn1nnnc1SCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000016363669	370630157	/nfs/dbraw/zinc/63/01/57/370630157.db2.gz	FNPULGNMPROZFV-UHFFFAOYSA-N	1	0	294.340	1.000	50	5		CDBARO
O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCCO)CC1	ZINC000096026579	375050864	/nfs/dbraw/zinc/05/08/64/375050864.db2.gz	GNAVUVMQGHCSEL-UHFFFAOYSA-N	1	0	293.367	1.879	50	5		CDBARO
C[N+]1(C[C@H](O)COc2ccccc2F)CCOCC1	ZINC000003180614	375578744	/nfs/dbraw/zinc/57/87/44/375578744.db2.gz	KQENXQPWLUROFM-LBPRGKRZSA-N	1	0	270.324	1.042	50	5		CDBARO
Cn1c2ccccc2c(NCC[NH+](C)C)c([N+](=O)[O-])c1=O	ZINC000004680199	169997631	/nfs/dbraw/zinc/99/76/31/169997631.db2.gz	UIUVCQPGPOYUEP-UHFFFAOYSA-N	1	0	290.323	1.420	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c2cccnc21	ZINC000004499384	275036578	/nfs/dbraw/zinc/03/65/78/275036578.db2.gz	MPGZAAGYNPKHDS-UHFFFAOYSA-N	1	0	258.281	1.553	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002902568	355987431	/nfs/dbraw/zinc/98/74/31/355987431.db2.gz	KPFXNPAEVCQFKE-UHFFFAOYSA-N	1	0	251.286	1.276	50	5		CDBARO
C[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000004045819	184530253	/nfs/dbraw/zinc/53/02/53/184530253.db2.gz	KYGLWXLOXYFWLV-SNVBAGLBSA-N	1	0	290.323	1.525	50	5		CDBARO
Cc1c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000106655598	186129658	/nfs/dbraw/zinc/12/96/58/186129658.db2.gz	GNVYTMPRYUWXIM-MFKMUULPSA-N	1	0	291.351	1.989	50	5		CDBARO
O=[N+]([O-])c1ccccc1OCC[NH2+]C[C@@H]1CCCO1	ZINC000003247120	368621651	/nfs/dbraw/zinc/62/16/51/368621651.db2.gz	FDTQNSRSJOEOLG-NSHDSACASA-N	1	0	266.297	1.742	50	5		CDBARO
O=C(CSC1=[NH+]CCN1)Nc1ccccc1[N+](=O)[O-]	ZINC000007140991	170268333	/nfs/dbraw/zinc/26/83/33/170268333.db2.gz	UNVPJXIRGPYRNQ-UHFFFAOYSA-N	1	0	280.309	1.226	50	5		CDBARO
C[NH+](C)CC(C)(C)CNc1ccncc1[N+](=O)[O-]	ZINC000020370241	171167695	/nfs/dbraw/zinc/16/76/95/171167695.db2.gz	DZKVZLCXXVOCEN-UHFFFAOYSA-N	1	0	252.318	1.990	50	5		CDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1	ZINC000005017306	274594409	/nfs/dbraw/zinc/59/44/09/274594409.db2.gz	QQBBHAASIIEVMS-JTQLQIEISA-N	1	0	272.308	1.941	50	5		CDBARO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]12	ZINC000252585233	368162152	/nfs/dbraw/zinc/16/21/52/368162152.db2.gz	HEDFEIAKBWDXRK-ADEWGFFLSA-N	1	0	275.308	1.404	50	5		CDBARO
Cc1ccc(OCCCC[NH2+]CCO)c([N+](=O)[O-])c1	ZINC000003000710	375502348	/nfs/dbraw/zinc/50/23/48/375502348.db2.gz	RHPHOOLRWLENBB-UHFFFAOYSA-N	1	0	268.313	1.644	50	5		CDBARO
C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cn1	ZINC000585118055	362048106	/nfs/dbraw/zinc/04/81/06/362048106.db2.gz	YDVDOPUBLUWNQI-GHMZBOCLSA-N	1	0	250.302	1.884	50	5		CDBARO
C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850140	180046633	/nfs/dbraw/zinc/04/66/33/180046633.db2.gz	IUCOROLDKWZBSJ-GXFFZTMASA-N	1	0	266.297	1.397	50	5		CDBARO
[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]12	ZINC000239807476	363375271	/nfs/dbraw/zinc/37/52/71/363375271.db2.gz	CSGQQIVXQBZHIZ-KPXOXKRLSA-N	1	0	293.298	1.543	50	5		CDBARO
O=C(O[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1	ZINC000000135984	359133858	/nfs/dbraw/zinc/13/38/58/359133858.db2.gz	MZUQHOMDMKXMHB-ZDUSSCGKSA-N	1	0	276.292	1.846	50	5		CDBARO
[NH3+]CCNc1ccc([N+](=O)[O-])c(N2CCCCC2)c1	ZINC000004046664	283440058	/nfs/dbraw/zinc/44/00/58/283440058.db2.gz	CHCMPFLDXUTJDD-UHFFFAOYSA-N	1	0	264.329	1.956	50	5		CDBARO
C[NH+](C)C1CCN(c2cnccc2[N+](=O)[O-])CC1	ZINC000169725788	391998590	/nfs/dbraw/zinc/99/85/90/391998590.db2.gz	KGKYFTPGLBNKOB-UHFFFAOYSA-N	1	0	250.302	1.520	50	5		CDBARO
Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-]	ZINC000020479242	393147589	/nfs/dbraw/zinc/14/75/89/393147589.db2.gz	LKKORHLFFBBOJB-UHFFFAOYSA-N	1	0	277.324	1.681	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)C[C@@H](C)[NH2+]1	ZINC000005275390	274364306	/nfs/dbraw/zinc/36/43/06/274364306.db2.gz	OTASVJFNJXDROV-RKDXNWHRSA-N	1	0	250.302	1.364	50	5		CDBARO
C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)CC1	ZINC000169725304	361787539	/nfs/dbraw/zinc/78/75/39/361787539.db2.gz	KQNZXPUUEPMIKT-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
CN1C=C(C(=O)NCCCC[N+](C)(C)C)C=C/C1=C/N=O	ZINC000038165852	344990460	/nfs/dbraw/zinc/99/04/60/344990460.db2.gz	UQYQIAQAVIGJHM-KAMYIIQDSA-O	1	0	293.391	1.582	50	5		CDBARO
C[S@@](=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000095399864	374906773	/nfs/dbraw/zinc/90/67/73/374906773.db2.gz	ISVXXRQVSJURJW-KRWDZBQOSA-N	1	0	276.745	1.716	50	5		CDBARO
C[NH+](C)CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000002824753	375339441	/nfs/dbraw/zinc/33/94/41/375339441.db2.gz	LJSIONKADBUDFQ-RMKNXTFCSA-N	1	0	277.324	1.676	50	5		CDBARO
COc1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-]	ZINC000004699344	170000787	/nfs/dbraw/zinc/00/07/87/170000787.db2.gz	BYMNAUNVLMLXFU-UHFFFAOYSA-N	1	0	293.323	1.429	50	5		CDBARO
C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000193566676	278372671	/nfs/dbraw/zinc/37/26/71/278372671.db2.gz	CFRFHLPKYKUNBU-CABZTGNLSA-N	1	0	263.297	1.209	50	5		CDBARO
CCOC(=O)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000252441183	279520620	/nfs/dbraw/zinc/52/06/20/279520620.db2.gz	JPHOAYNPGBNGHY-ZENOOKHLSA-N	1	0	284.376	1.502	50	5	biogenic	CDBARO
C[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cc1Br	ZINC000261575818	536405066	/nfs/dbraw/zinc/40/50/66/536405066.db2.gz	JWQQAHWVOITFSQ-ZCFIWIBFSA-N	1	0	289.133	1.772	50	5		CDBARO
CCNc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000004688319	570249039	/nfs/dbraw/zinc/24/90/39/570249039.db2.gz	TZIIWRXQRBBQDG-UHFFFAOYSA-N	1	0	250.302	1.436	50	5		CDBARO
[NH3+][C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000721867988	710403874	/nfs/dbraw/zinc/40/38/74/710403874.db2.gz	VRDNQBUFINZSTP-AOOOYVTPSA-N	1	0	299.352	1.143	50	5		CDBARO
CN(Cc1ccc([N+](=O)[O-])o1)C1CC[NH+](C)CC1	ZINC000000201287	711579310	/nfs/dbraw/zinc/57/93/10/711579310.db2.gz	PORZZLDABFMUFV-UHFFFAOYSA-N	1	0	253.302	1.714	50	5		CDBARO
[NH3+][C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000322155828	711732140	/nfs/dbraw/zinc/73/21/40/711732140.db2.gz	UPWCLTDDFJOOKP-MGCOHNPYSA-N	1	0	299.352	1.143	50	5		CDBARO
C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000193566646	362953365	/nfs/dbraw/zinc/95/33/65/362953365.db2.gz	CFRFHLPKYKUNBU-JOYOIKCWSA-N	1	0	263.297	1.209	50	5		CDBARO
[NH3+]CCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003268004	169874230	/nfs/dbraw/zinc/87/42/30/169874230.db2.gz	DGFKDNXGDXZIMP-JXMROGBWSA-N	1	0	293.304	1.590	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c2ncccc12	ZINC000004004483	275036102	/nfs/dbraw/zinc/03/61/02/275036102.db2.gz	KWIOJCIONBCCJW-UHFFFAOYSA-N	1	0	272.308	1.943	50	5		CDBARO
Cc1cc(N2CC[C@]3(CCC[N@H+]3C)C2)ncc1[N+](=O)[O-]	ZINC000952880568	910442149	/nfs/dbraw/zinc/44/21/49/910442149.db2.gz	BZMXHTIYBHUXQP-CQSZACIVSA-N	1	0	276.340	1.973	50	5		CDBARO
COc1c2c(cc3c1[C@@H](C[C@H](C)O)[N+](C)(C)CC3)OCO2	ZINC000000485789	365005907	/nfs/dbraw/zinc/00/59/07/365005907.db2.gz	JDHJUNPYLKPCMG-CMPLNLGQSA-N	1	0	294.371	1.868	50	5	biogenic	CDBARO
CC[NH+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000004819645	170022288	/nfs/dbraw/zinc/02/22/88/170022288.db2.gz	DWQSWQCXMFRAFE-LLVKDONJSA-N	1	0	268.313	1.676	50	5		CDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1	ZINC000004948013	170044607	/nfs/dbraw/zinc/04/46/07/170044607.db2.gz	JZEBGNLIZMRNAU-LBPRGKRZSA-N	1	0	250.298	1.799	50	5		CDBARO
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1	ZINC000035407455	172178309	/nfs/dbraw/zinc/17/83/09/172178309.db2.gz	FDSKYYOWTXTEQC-UHFFFAOYSA-N	1	0	264.285	1.468	50	5		CDBARO
O=[N+]([O-])c1ccccc1N1CC([NH2+]C2CCOCC2)C1	ZINC000952994928	910539865	/nfs/dbraw/zinc/53/98/65/910539865.db2.gz	WUKMJNJLLOYPEM-UHFFFAOYSA-N	1	0	277.324	1.552	50	5		CDBARO
C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421201	357340213	/nfs/dbraw/zinc/34/02/13/357340213.db2.gz	SHMWKPQQPHAEOH-QWRGUYRKSA-N	1	0	275.312	1.926	50	5		CDBARO
C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239782578	189902847	/nfs/dbraw/zinc/90/28/47/189902847.db2.gz	CPKDXGJMVXIOES-VHSXEESVSA-N	1	0	267.329	1.989	50	5		CDBARO
C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)[S@](C)=O	ZINC000095436245	374937427	/nfs/dbraw/zinc/93/74/27/374937427.db2.gz	BCRLWBAEDAPCGP-HUTHGQBESA-N	1	0	256.327	1.451	50	5		CDBARO
CCOC(=O)C[C@@]1(C)OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000003638818	375769347	/nfs/dbraw/zinc/76/93/47/375769347.db2.gz	FPVINZFDZHCBKF-HIFRSBDPSA-N	1	0	286.392	1.702	50	5		CDBARO
[NH3+]CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004305973	391942879	/nfs/dbraw/zinc/94/28/79/391942879.db2.gz	PGYPKWYXBKLRFP-UHFFFAOYSA-N	1	0	294.189	1.892	50	5		CDBARO
O=[N+]([O-])c1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1	ZINC000004870230	170034574	/nfs/dbraw/zinc/03/45/74/170034574.db2.gz	AJPAIZDZBXRKKX-ZDUSSCGKSA-N	1	0	266.297	1.742	50	5		CDBARO
CC[NH+](CC)CC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004991293	170051189	/nfs/dbraw/zinc/05/11/89/170051189.db2.gz	SAJLGYWTCZAPQD-UHFFFAOYSA-N	1	0	251.286	1.875	50	5		CDBARO
C[NH+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010111494	170397621	/nfs/dbraw/zinc/39/76/21/170397621.db2.gz	ASNPOJMMQWPJMK-UHFFFAOYSA-N	1	0	271.704	1.540	50	5		CDBARO
C[N+](C)(C)CCOC(=O)C[C@@H]1COc2ccccc2O1	ZINC000005164827	343398127	/nfs/dbraw/zinc/39/81/27/343398127.db2.gz	RBYSWAKYAJVLAK-GFCCVEGCSA-N	1	0	280.344	1.466	50	5		CDBARO
C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC000097096427	185530222	/nfs/dbraw/zinc/53/02/22/185530222.db2.gz	SMNFUNRHPMXVMV-QWRGUYRKSA-N	1	0	252.318	1.960	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[C@@H]2CCC[NH2+]C2)nc1	ZINC000042774145	364622916	/nfs/dbraw/zinc/62/29/16/364622916.db2.gz	NNVRDYLKMBJQFN-JTQLQIEISA-N	1	0	251.286	1.758	50	5		CDBARO
CC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000029606544	375447340	/nfs/dbraw/zinc/44/73/40/375447340.db2.gz	HKSLFJSFRVZSHP-UHFFFAOYSA-N	1	0	277.324	1.809	50	5		CDBARO
O=[N+]([O-])c1cccnc1N1CC[NH+](C2CCOCC2)CC1	ZINC000266992208	285165960	/nfs/dbraw/zinc/16/59/60/285165960.db2.gz	ANYJACQJKMLFIS-UHFFFAOYSA-N	1	0	292.339	1.291	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1	ZINC000070120606	304810293	/nfs/dbraw/zinc/81/02/93/304810293.db2.gz	SHBVJEHJRUFJQJ-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
CC(=O)c1ccc(N2CC[N@@H+]3CC[C@H]2C3)c([N+](=O)[O-])c1	ZINC000381939115	570404308	/nfs/dbraw/zinc/40/43/08/570404308.db2.gz	TXQNTQHMIAZTRE-LBPRGKRZSA-N	1	0	275.308	1.692	50	5		CDBARO
[NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000125145461	351403203	/nfs/dbraw/zinc/40/32/03/351403203.db2.gz	OBCRDRKAYPZJNR-VHSXEESVSA-N	1	0	299.352	1.143	50	5		CDBARO
C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012812483	361184814	/nfs/dbraw/zinc/18/48/14/361184814.db2.gz	IQXLXCPFGHDUPW-SNVBAGLBSA-N	1	0	277.324	1.926	50	5		CDBARO
C[N+](C)(C)CCOC(=O)[C@H]1OCCc2ccccc21	ZINC000000490961	169655262	/nfs/dbraw/zinc/65/52/62/169655262.db2.gz	GKJYAGYYOTXPNJ-AWEZNQCLSA-N	1	0	264.345	1.550	50	5	biogenic	CDBARO
Nc1ccc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000005427836	170098554	/nfs/dbraw/zinc/09/85/54/170098554.db2.gz	GAWKMFCTVAAKTF-UHFFFAOYSA-N	1	0	261.217	1.362	50	5		CDBARO
Nc1cc(N2CC[NH2+]CC2)c([N+](=O)[O-])cc1Cl	ZINC000004819294	274964335	/nfs/dbraw/zinc/96/43/35/274964335.db2.gz	CKENAFXDMPCJLA-UHFFFAOYSA-N	1	0	256.693	1.240	50	5		CDBARO
CCNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004739194	358023586	/nfs/dbraw/zinc/02/35/86/358023586.db2.gz	YXOVQJWQCRKDNS-UHFFFAOYSA-N	1	0	264.329	1.778	50	5		CDBARO
O=C(O[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1	ZINC000000135985	359133807	/nfs/dbraw/zinc/13/38/07/359133807.db2.gz	MZUQHOMDMKXMHB-CYBMUJFWSA-N	1	0	276.292	1.846	50	5		CDBARO
CC[NH+](CC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000002781270	169830061	/nfs/dbraw/zinc/83/00/61/169830061.db2.gz	QGKGIHMQXVWNFT-LLVKDONJSA-N	1	0	297.359	1.028	50	5		CDBARO
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C	ZINC000002824338	169835334	/nfs/dbraw/zinc/83/53/34/169835334.db2.gz	AQNLZXIGDUEOLO-JTQLQIEISA-N	1	0	265.313	1.522	50	5		CDBARO
C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005060932	170062707	/nfs/dbraw/zinc/06/27/07/170062707.db2.gz	ANYKFKPTBDXMID-UHFFFAOYSA-N	1	0	252.274	1.278	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1	ZINC000005017303	274364332	/nfs/dbraw/zinc/36/43/32/274364332.db2.gz	QQBBHAASIIEVMS-SNVBAGLBSA-N	1	0	272.308	1.941	50	5		CDBARO
C[NH+](C)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C12CCC2	ZINC000585117973	930977153	/nfs/dbraw/zinc/97/71/53/930977153.db2.gz	LEPUATLFOQZHGG-MNOVXSKESA-N	1	0	277.328	1.670	50	5		CDBARO
C[N+](C)(C)CCn1nc(-c2ccccc2)ccc1=O	ZINC000095918180	185030972	/nfs/dbraw/zinc/03/09/72/185030972.db2.gz	LSRKECFKQWRICW-UHFFFAOYSA-N	1	0	258.345	1.617	50	5		CDBARO
O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000095986636	185056466	/nfs/dbraw/zinc/05/64/66/185056466.db2.gz	DYMYCDDBKOLASH-NXEZZACHSA-N	1	0	283.353	1.931	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002912989	375370275	/nfs/dbraw/zinc/37/02/75/375370275.db2.gz	DHSIHHZFKCWDGL-UHFFFAOYSA-N	1	0	285.731	1.930	50	5		CDBARO
O=[N+]([O-])c1cccc(OCC[NH2+]C[C@H]2CCCO2)c1	ZINC000004870231	170035027	/nfs/dbraw/zinc/03/50/27/170035027.db2.gz	AJPAIZDZBXRKKX-CYBMUJFWSA-N	1	0	266.297	1.742	50	5		CDBARO
CC[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004990981	170050818	/nfs/dbraw/zinc/05/08/18/170050818.db2.gz	OKDWEXMXXCTNSG-UHFFFAOYSA-N	1	0	251.286	1.875	50	5		CDBARO
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1	ZINC000004623617	274592662	/nfs/dbraw/zinc/59/26/62/274592662.db2.gz	CNHUHUYYUWJDRI-YUMQZZPRSA-N	1	0	268.292	1.503	50	5		CDBARO
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1	ZINC000004819238	695056956	/nfs/dbraw/zinc/05/69/56/695056956.db2.gz	NOSFWVXSNGKPRN-GFCCVEGCSA-N	1	0	266.297	1.430	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]2)cc1	ZINC000078216647	723455957	/nfs/dbraw/zinc/45/59/57/723455957.db2.gz	XLUNGRVNMULDAD-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
NC(=O)[C@@H](F)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000585133193	931027993	/nfs/dbraw/zinc/02/79/93/931027993.db2.gz	AIILPQCDILBKEV-ZDUSSCGKSA-N	1	0	295.314	1.630	50	5		CDBARO
CN1C=C(C(=O)NCCC[N+](C)(C)C)C=C/C1=C/N=O	ZINC000038170373	344990592	/nfs/dbraw/zinc/99/05/92/344990592.db2.gz	AWUFUPQZTBKRDK-RAXLEYEMSA-O	1	0	279.364	1.192	50	5		CDBARO
C[N@+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	ZINC000252462710	367473349	/nfs/dbraw/zinc/47/33/49/367473349.db2.gz	VNSCAEYOVMUMCH-YRGRVCCFSA-N	1	0	251.262	1.427	50	5	biogenic	CDBARO
CCOC(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000012352195	276299570	/nfs/dbraw/zinc/29/95/70/276299570.db2.gz	QAGYBERSNPLRAY-UHFFFAOYSA-N	1	0	279.296	1.181	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]1	ZINC000166788957	725283495	/nfs/dbraw/zinc/28/34/95/725283495.db2.gz	RFCWJOFZDNVCDQ-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1CO	ZINC000095948540	185039338	/nfs/dbraw/zinc/03/93/38/185039338.db2.gz	HWSWNQOSVRDARQ-LLVKDONJSA-N	1	0	266.297	1.430	50	5		CDBARO
Cc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000023421650	359131131	/nfs/dbraw/zinc/13/11/31/359131131.db2.gz	ICPNMLJCHXZKAQ-UHFFFAOYSA-N	1	0	277.324	1.727	50	5		CDBARO
O=[N+]([O-])c1cc(Br)ccc1OC1C[NH2+]C1	ZINC000042769703	285083179	/nfs/dbraw/zinc/08/31/79/285083179.db2.gz	JBIQIBUVKUNXDH-UHFFFAOYSA-N	1	0	273.086	1.708	50	5		CDBARO
C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000037285946	173092332	/nfs/dbraw/zinc/09/23/32/173092332.db2.gz	LLACNNJGMRRYGM-UHFFFAOYSA-N	1	0	255.249	1.025	50	5		CDBARO
C[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000000295316	359431216	/nfs/dbraw/zinc/43/12/16/359431216.db2.gz	DQZALINDZMWWFT-UHFFFAOYSA-N	1	0	293.323	1.461	50	5		CDBARO
C[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000036280198	361425318	/nfs/dbraw/zinc/42/53/18/361425318.db2.gz	YCXYEHVMNUAVDI-UHFFFAOYSA-N	1	0	251.286	1.243	50	5		CDBARO
CC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000005065597	170063110	/nfs/dbraw/zinc/06/31/10/170063110.db2.gz	GPOMAORZQWKNPD-UHFFFAOYSA-N	1	0	279.340	1.611	50	5		CDBARO
CC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1	ZINC000125641645	187194521	/nfs/dbraw/zinc/19/45/21/187194521.db2.gz	DZPOYWLVYJKBRC-UHFFFAOYSA-N	1	0	291.351	1.643	50	5		CDBARO
COc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000074938184	365924746	/nfs/dbraw/zinc/92/47/46/365924746.db2.gz	MKTFAOFIZMORTQ-UHFFFAOYSA-N	1	0	251.286	1.355	50	5		CDBARO
[NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981188	351391993	/nfs/dbraw/zinc/39/19/93/351391993.db2.gz	RBTOVHWKCCAALK-UWVGGRQHSA-N	1	0	299.352	1.143	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1CO	ZINC000023115259	358032139	/nfs/dbraw/zinc/03/21/39/358032139.db2.gz	RAIQBNQSSUCADQ-GFCCVEGCSA-N	1	0	250.298	1.942	50	5		CDBARO
CNc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000096402780	393178891	/nfs/dbraw/zinc/17/88/91/393178891.db2.gz	VJGLBYUFDBZPPA-LLVKDONJSA-N	1	0	278.312	1.005	50	5		CDBARO
CC(C)OC(=O)C[C@H]([NH3+])c1ccccc1[N+](=O)[O-]	ZINC000020268540	393144692	/nfs/dbraw/zinc/14/46/92/393144692.db2.gz	PPDSCYOUHQUYRX-JTQLQIEISA-N	1	0	252.270	1.936	50	5		CDBARO
C[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl	ZINC000019864511	170899282	/nfs/dbraw/zinc/89/92/82/170899282.db2.gz	XGYPZUGNJNKRPJ-MRVPVSSYSA-N	1	0	260.677	1.207	50	5		CDBARO
COc1ccc(C(=O)OCC[N+]2(C)CCOCC2)cc1	ZINC000000215710	361973525	/nfs/dbraw/zinc/97/35/25/361973525.db2.gz	BAQBLAFDUKSJGK-UHFFFAOYSA-N	1	0	280.344	1.329	50	5		CDBARO
C[C@@H]1CN(c2cc(N)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1	ZINC000005529937	363228689	/nfs/dbraw/zinc/22/86/89/363228689.db2.gz	YQVYGQPSYBRFRA-DTORHVGOSA-N	1	0	250.302	1.364	50	5		CDBARO
CC[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000054979090	373751922	/nfs/dbraw/zinc/75/19/22/373751922.db2.gz	BUIAMLUVBCIZLR-BQYQJAHWSA-N	1	0	289.335	1.772	50	5		CDBARO
C[NH+](C)CCCC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424061315	246314518	/nfs/dbraw/zinc/31/45/18/246314518.db2.gz	SCDOLTYLZLZGFL-UHFFFAOYSA-N	1	0	297.359	1.028	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1	ZINC000095349629	374886085	/nfs/dbraw/zinc/88/60/85/374886085.db2.gz	JDFFWDLFEARPMP-OLZOCXBDSA-N	1	0	292.339	1.025	50	5		CDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1	ZINC000004948016	170044627	/nfs/dbraw/zinc/04/46/27/170044627.db2.gz	JZEBGNLIZMRNAU-GFCCVEGCSA-N	1	0	250.298	1.799	50	5		CDBARO
CC[NH+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004993583	170051479	/nfs/dbraw/zinc/05/14/79/170051479.db2.gz	TVLJLUCHRYRTKV-UHFFFAOYSA-N	1	0	251.286	1.875	50	5		CDBARO
Cc1nccn1-c1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)c1	ZINC000038518557	274859690	/nfs/dbraw/zinc/85/96/90/274859690.db2.gz	GZKDDOUOFDEZFL-UHFFFAOYSA-N	1	0	287.323	1.499	50	5		CDBARO
C[N@@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2C1	ZINC000585092034	362012262	/nfs/dbraw/zinc/01/22/62/362012262.db2.gz	BOEAIWGIYYOBDZ-MNOVXSKESA-N	1	0	262.313	1.378	50	5		CDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2CO)c1	ZINC000023115286	358032500	/nfs/dbraw/zinc/03/25/00/358032500.db2.gz	JBWHIBOYYSKOES-CYBMUJFWSA-N	1	0	250.298	1.942	50	5		CDBARO
CC[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000054992638	373756687	/nfs/dbraw/zinc/75/66/87/373756687.db2.gz	PKFLBUOTMDPGEA-VOTSOKGWSA-N	1	0	289.335	1.772	50	5		CDBARO
C[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000116268906	374461460	/nfs/dbraw/zinc/46/14/60/374461460.db2.gz	FKPIEGDOUDQGFH-UHFFFAOYSA-N	1	0	269.732	1.996	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1	ZINC000226462126	375073104	/nfs/dbraw/zinc/07/31/04/375073104.db2.gz	MLYIIFTUOQGDLJ-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1	ZINC000070120899	285138730	/nfs/dbraw/zinc/13/87/30/285138730.db2.gz	DBWWREKDKUMRKP-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
NC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004987010	170049540	/nfs/dbraw/zinc/04/95/40/170049540.db2.gz	FUISRMQQWUOIIV-HWKANZROSA-N	1	0	289.335	1.805	50	5		CDBARO
COc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000005077393	170064483	/nfs/dbraw/zinc/06/44/83/170064483.db2.gz	BSILJAXGVZKKSJ-JTQLQIEISA-N	1	0	295.339	1.531	50	5		CDBARO
CC(=O)c1ccc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])c1	ZINC000382237181	358765084	/nfs/dbraw/zinc/76/50/84/358765084.db2.gz	AHYVWJXWIJJRIE-UHFFFAOYSA-N	1	0	277.324	1.795	50	5		CDBARO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000006059883	361222097	/nfs/dbraw/zinc/22/20/97/361222097.db2.gz	JEMQDFFQACGZGG-LBPRGKRZSA-N	1	0	280.324	1.820	50	5		CDBARO
O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)CC2)cc1	ZINC000020089504	285114261	/nfs/dbraw/zinc/11/42/61/285114261.db2.gz	FKJKPBQIJZARRP-UHFFFAOYSA-N	1	0	250.298	1.988	50	5		CDBARO
C[NH+](C)CCCNc1ccc([N+](=O)[O-])c2nonc21	ZINC000004860298	170032029	/nfs/dbraw/zinc/03/20/29/170032029.db2.gz	QSGGRYXOKFKEPF-UHFFFAOYSA-N	1	0	265.273	1.495	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1	ZINC000044492452	175181150	/nfs/dbraw/zinc/18/11/50/175181150.db2.gz	PESMKRWYIIHDOL-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
C[N+](C)(C)CCCOC(=O)[C@H]1OCCc2ccccc21	ZINC000004061460	230367988	/nfs/dbraw/zinc/36/79/88/230367988.db2.gz	KSIHMBFKJABZSB-HNNXBMFYSA-N	1	0	278.372	1.940	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccsc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1	ZINC000095986637	185056460	/nfs/dbraw/zinc/05/64/60/185056460.db2.gz	DYMYCDDBKOLASH-ZJUUUORDSA-N	1	0	283.353	1.931	50	5		CDBARO
CC(C)Nc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000004740957	358162487	/nfs/dbraw/zinc/16/24/87/358162487.db2.gz	RWQXJALRNBCRMX-UHFFFAOYSA-N	1	0	264.329	1.825	50	5		CDBARO
Cn1c2ccccc2nc2ccc(=[NH+]CCO)cc1-2	ZINC000334157010	206121167	/nfs/dbraw/zinc/12/11/67/206121167.db2.gz	UFFSSWFJZSCGMP-UHFFFAOYSA-N	1	0	253.305	1.571	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1ccccc1[N+](=O)[O-]	ZINC000003660813	169906533	/nfs/dbraw/zinc/90/65/33/169906533.db2.gz	IKTLTNZOWPNINK-UHFFFAOYSA-N	1	0	251.286	1.276	50	5		CDBARO
CCC[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000124893278	187159708	/nfs/dbraw/zinc/15/97/08/187159708.db2.gz	YPTJWENIOWLSKT-VIFPVBQESA-N	1	0	287.341	1.001	50	5		CDBARO
C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850143	180046564	/nfs/dbraw/zinc/04/65/64/180046564.db2.gz	IUCOROLDKWZBSJ-MFKMUULPSA-N	1	0	266.297	1.397	50	5		CDBARO
CC[N@+]1(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252441332	367429018	/nfs/dbraw/zinc/42/90/18/367429018.db2.gz	QIVWXVZLBPQWKQ-MJQUHVBXSA-N	1	0	296.387	1.335	50	5	biogenic	CDBARO
C[NH+](C)CCNc1c2ccccc2oc(=O)c1[N+](=O)[O-]	ZINC000003896370	375809664	/nfs/dbraw/zinc/80/96/64/375809664.db2.gz	HRNYMYFAVNNWIQ-UHFFFAOYSA-N	1	0	277.280	1.675	50	5		CDBARO
O=C1C[C@@H]([NH2+]CC2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000083251951	178370449	/nfs/dbraw/zinc/37/04/49/178370449.db2.gz	DCVWSFBEAZLFSA-GFCCVEGCSA-N	1	0	289.291	1.226	50	5		CDBARO
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC2(CCC2)C1	ZINC000090552253	180002488	/nfs/dbraw/zinc/00/24/88/180002488.db2.gz	YJLSGBOVNPHQPF-UHFFFAOYSA-N	1	0	277.324	1.633	50	5		CDBARO
CC(C)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-]	ZINC000097238088	351606058	/nfs/dbraw/zinc/60/60/58/351606058.db2.gz	OYBZEFWHNUNOEN-LLVKDONJSA-N	1	0	256.277	1.840	50	5		CDBARO
O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1	ZINC000036962404	363298371	/nfs/dbraw/zinc/29/83/71/363298371.db2.gz	OTVXOVIUHJJMOM-UHFFFAOYSA-N	1	0	264.285	1.468	50	5		CDBARO
CC[N@@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-]	ZINC000021790599	171323721	/nfs/dbraw/zinc/32/37/21/171323721.db2.gz	AWHJHOOTFXYXFL-JTQLQIEISA-N	1	0	250.302	1.886	50	5		CDBARO
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH+]2CCCCC2)cc1	ZINC000096027513	351475381	/nfs/dbraw/zinc/47/53/81/351475381.db2.gz	PJWKHFUUONPSEU-KBPBESRZSA-N	1	0	280.324	1.475	50	5		CDBARO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	ZINC000195562265	363467555	/nfs/dbraw/zinc/46/75/55/363467555.db2.gz	HEDFEIAKBWDXRK-YUSALJHKSA-N	1	0	275.308	1.404	50	5		CDBARO
COc1ccc(C(=O)CC[N+](C)(C)C)cc1OC	ZINC000000500160	366308338	/nfs/dbraw/zinc/30/83/38/366308338.db2.gz	WZTKXIRTEBHVHN-UHFFFAOYSA-N	1	0	252.334	1.983	50	5		CDBARO
O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000125920677	283982454	/nfs/dbraw/zinc/98/24/54/283982454.db2.gz	AHFFSUGNWGVLOH-MRVPVSSYSA-N	1	0	267.260	1.073	50	5		CDBARO
Cc1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000093808690	374786282	/nfs/dbraw/zinc/78/62/82/374786282.db2.gz	KGONSXUJRPDFSU-GFCCVEGCSA-N	1	0	291.351	1.991	50	5		CDBARO
Cc1cc(C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000004818397	170022496	/nfs/dbraw/zinc/02/24/96/170022496.db2.gz	YVBFEOZUHCBARY-UHFFFAOYSA-N	1	0	251.286	1.195	50	5		CDBARO
C[NH+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004953043	170044774	/nfs/dbraw/zinc/04/47/74/170044774.db2.gz	SBGZFCXNCZBHPF-UHFFFAOYSA-N	1	0	271.704	1.540	50	5		CDBARO
Cc1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1	ZINC000096449411	302345464	/nfs/dbraw/zinc/34/54/64/302345464.db2.gz	BQNGEUCJKYRLJD-LLVKDONJSA-N	1	0	264.329	1.829	50	5		CDBARO
CC[NH+]1CCN(c2cc(NC)cc([N+](=O)[O-])c2)CC1	ZINC000122709550	330381662	/nfs/dbraw/zinc/38/16/62/330381662.db2.gz	UPRLMEQCUIOPSB-UHFFFAOYSA-N	1	0	264.329	1.778	50	5		CDBARO
C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1	ZINC000095997026	185061247	/nfs/dbraw/zinc/06/12/47/185061247.db2.gz	RZEWNBHVENATPC-UHFFFAOYSA-N	1	0	253.302	1.585	50	5		CDBARO
C[C@H](C[N+](C)(C)C)OC(=O)c1ccc2c(c1)OCO2	ZINC000000554727	357231765	/nfs/dbraw/zinc/23/17/65/357231765.db2.gz	WFVNPXZPQMSPDQ-SNVBAGLBSA-N	1	0	266.317	1.667	50	5		CDBARO
Cc1cc(N2CC([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-]	ZINC000952994997	778863715	/nfs/dbraw/zinc/86/37/15/778863715.db2.gz	ZSAYDLFCHLDHPN-UHFFFAOYSA-N	1	0	292.339	1.255	50	5		CDBARO
C[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004143281	356019648	/nfs/dbraw/zinc/01/96/48/356019648.db2.gz	DAVRYBDIZYBJOI-QMMMGPOBSA-N	1	0	273.720	1.631	50	5		CDBARO
C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421204	357340724	/nfs/dbraw/zinc/34/07/24/357340724.db2.gz	SHMWKPQQPHAEOH-GHMZBOCLSA-N	1	0	275.312	1.926	50	5		CDBARO
NC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000095452870	358845716	/nfs/dbraw/zinc/84/57/16/358845716.db2.gz	QVOILEMOHDJEDK-UHFFFAOYSA-N	1	0	289.291	1.820	50	5		CDBARO
COc1ccc(C(=O)CSC2=[NH+]CCN2)cc1[N+](=O)[O-]	ZINC000000374916	359631543	/nfs/dbraw/zinc/63/15/43/359631543.db2.gz	ANGFVEGAGPQFMC-UHFFFAOYSA-N	1	0	295.320	1.479	50	5		CDBARO
NC(=[NH2+])SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004015667	375843382	/nfs/dbraw/zinc/84/33/82/375843382.db2.gz	JDODMMNGXMWGEA-UHFFFAOYSA-N	1	0	288.716	1.813	50	5		CDBARO
CC[N+](CC)(CC)CCNC(=O)COc1ccccc1O	ZINC000003218592	169869050	/nfs/dbraw/zinc/86/90/50/169869050.db2.gz	VQVHQJNZVAPFFT-UHFFFAOYSA-O	1	0	295.403	1.764	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1	ZINC000044492424	175180943	/nfs/dbraw/zinc/18/09/43/175180943.db2.gz	RQTOUJMWMCZVIQ-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@@H](C)[NH2+]1	ZINC000004623619	274362063	/nfs/dbraw/zinc/36/20/63/274362063.db2.gz	CNHUHUYYUWJDRI-HTQZYQBOSA-N	1	0	268.292	1.503	50	5		CDBARO
CC1(C)CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1	ZINC000090539912	483251643	/nfs/dbraw/zinc/25/16/43/483251643.db2.gz	GHGBJGYKERBQPM-NSHDSACASA-N	1	0	252.318	1.960	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[C@H]2CCCC[NH2+]2)nc1	ZINC000042774156	364622572	/nfs/dbraw/zinc/62/25/72/364622572.db2.gz	LTBYYDKHQDCFMB-SNVBAGLBSA-N	1	0	251.286	1.901	50	5		CDBARO
O=c1ccn(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000195570146	189681053	/nfs/dbraw/zinc/68/10/53/189681053.db2.gz	DPRLNOMPMYOSQL-UHFFFAOYSA-N	1	0	265.313	1.633	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1NC1CC[NH2+]CC1	ZINC000038041159	174042092	/nfs/dbraw/zinc/04/20/92/174042092.db2.gz	AVJBRDKPVWZFRA-UHFFFAOYSA-N	1	0	251.286	1.767	50	5		CDBARO
C[NH+](C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004358160	356318276	/nfs/dbraw/zinc/31/82/76/356318276.db2.gz	XUPVXKLPNVKACM-UHFFFAOYSA-N	1	0	254.246	1.477	50	5		CDBARO
C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000004990171	170050847	/nfs/dbraw/zinc/05/08/47/170050847.db2.gz	VMHLKFWMWNNDPB-UHFFFAOYSA-N	1	0	269.732	1.996	50	5		CDBARO
O=C(NCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000005513319	170106070	/nfs/dbraw/zinc/10/60/70/170106070.db2.gz	OLFLFCAHZFGBNS-UHFFFAOYSA-N	1	0	277.324	1.811	50	5		CDBARO
CC[NH+](CC)CCC[C@@H](C)Nc1ncnc(N)c1[N+](=O)[O-]	ZINC000003912509	279101298	/nfs/dbraw/zinc/10/12/98/279101298.db2.gz	FKJUDAMJFOFLRM-SNVBAGLBSA-N	1	0	296.375	1.889	50	5		CDBARO
Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1	ZINC000096449412	534559717	/nfs/dbraw/zinc/55/97/17/534559717.db2.gz	BQNGEUCJKYRLJD-NSHDSACASA-N	1	0	264.329	1.829	50	5		CDBARO
C[NH+](C)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)C12CCC2	ZINC000585117974	930977269	/nfs/dbraw/zinc/97/72/69/930977269.db2.gz	LEPUATLFOQZHGG-QWRGUYRKSA-N	1	0	277.328	1.670	50	5		CDBARO
O=C(NC[C@H]1CC[NH2+]C1)c1ccc(F)cc1[N+](=O)[O-]	ZINC000125920877	187205272	/nfs/dbraw/zinc/20/52/72/187205272.db2.gz	AHFFSUGNWGVLOH-QMMMGPOBSA-N	1	0	267.260	1.073	50	5		CDBARO
O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CCO)CCOC2)c1	ZINC000089780828	366933023	/nfs/dbraw/zinc/93/30/23/366933023.db2.gz	FYRSKMRURYIKHI-CQSZACIVSA-N	1	0	280.324	1.474	50	5		CDBARO
O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)cc1	ZINC000188490187	376247023	/nfs/dbraw/zinc/24/70/23/376247023.db2.gz	ICSDRGQQUKMTSB-UHFFFAOYSA-N	1	0	265.313	1.729	50	5		CDBARO
CC(C)C[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004262395	275597899	/nfs/dbraw/zinc/59/78/99/275597899.db2.gz	AXZJHDNQDSVIDR-NSHDSACASA-N	1	0	251.286	1.907	50	5		CDBARO
C[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccc1[N+](=O)[O-])C2	ZINC000585092011	930919890	/nfs/dbraw/zinc/91/98/90/930919890.db2.gz	AMFUOWBTZWBSGJ-CQSZACIVSA-N	1	0	276.340	1.912	50	5		CDBARO
Cc1c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000106655596	186130302	/nfs/dbraw/zinc/13/03/02/186130302.db2.gz	GNVYTMPRYUWXIM-ZWNOBZJWSA-N	1	0	291.351	1.989	50	5		CDBARO
C[C@@H]1CN(c2cc(N)cc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1	ZINC000005529940	363301463	/nfs/dbraw/zinc/30/14/63/363301463.db2.gz	YQVYGQPSYBRFRA-RKDXNWHRSA-N	1	0	250.302	1.364	50	5		CDBARO
O=[N+]([O-])c1ccc2[nH]cc(CN3CC[NH2+]CC3)c2c1	ZINC000328578078	358966751	/nfs/dbraw/zinc/96/67/51/358966751.db2.gz	XFFCTGYEAOMXIV-UHFFFAOYSA-N	1	0	260.297	1.481	50	5		CDBARO
O=[N+]([O-])c1cnn(CC[NH+]2CCc3ccccc3CC2)c1	ZINC000089861237	366947251	/nfs/dbraw/zinc/94/72/51/366947251.db2.gz	XMILCYJLSZHJPW-UHFFFAOYSA-N	1	0	286.335	1.892	50	5		CDBARO
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]CC1	ZINC000032048703	375868526	/nfs/dbraw/zinc/86/85/26/375868526.db2.gz	IAQRXXUHSYFAQG-UHFFFAOYSA-N	1	0	269.688	1.294	50	5		CDBARO
CC[NH+]1CCN(c2ccc3nsnc3c2[N+](=O)[O-])CC1	ZINC000003897563	391310650	/nfs/dbraw/zinc/31/06/50/391310650.db2.gz	KFJPFBFAOOXWNZ-UHFFFAOYSA-N	1	0	293.352	1.741	50	5		CDBARO
CCOC(=O)C[C@]1(C)OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000003638824	169905570	/nfs/dbraw/zinc/90/55/70/169905570.db2.gz	FPVINZFDZHCBKF-DZGCQCFKSA-N	1	0	286.392	1.702	50	5		CDBARO
CC(C)[C@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000038202252	174136802	/nfs/dbraw/zinc/13/68/02/174136802.db2.gz	USBVDPVTFGLYPZ-NSHDSACASA-N	1	0	252.270	1.621	50	5		CDBARO
CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	ZINC000005049873	360128670	/nfs/dbraw/zinc/12/86/70/360128670.db2.gz	FSQBTKZGKQMDMQ-UHFFFAOYSA-N	1	0	278.312	1.305	50	5		CDBARO
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000035048990	283562756	/nfs/dbraw/zinc/56/27/56/283562756.db2.gz	KVCPQALNABYHSN-VXGBXAGGSA-N	1	0	299.352	1.143	50	5		CDBARO
C[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000004045818	375855485	/nfs/dbraw/zinc/85/54/85/375855485.db2.gz	KYGLWXLOXYFWLV-JTQLQIEISA-N	1	0	290.323	1.525	50	5		CDBARO
CC(=O)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1	ZINC000385216080	358736583	/nfs/dbraw/zinc/73/65/83/358736583.db2.gz	SCZAYZXCYFEZES-JYAVWHMHSA-N	1	0	289.335	1.794	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)cc1	ZINC000024777606	358905594	/nfs/dbraw/zinc/90/55/94/358905594.db2.gz	XNDUOPXMERMAPQ-UHFFFAOYSA-N	1	0	265.313	1.099	50	5		CDBARO
O=[N+]([O-])c1cccc(OCCCN2CCOCC2)c1	ZINC000020639448	171269209	/nfs/dbraw/zinc/26/92/09/171269209.db2.gz	AKDSKGYYVGNMDA-UHFFFAOYSA-N	1	0	266.297	1.696	50	5		CDBARO
CNc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1[N+](=O)[O-]	ZINC000096402781	393177912	/nfs/dbraw/zinc/17/79/12/393177912.db2.gz	VJGLBYUFDBZPPA-NSHDSACASA-N	1	0	278.312	1.005	50	5		CDBARO
C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005102284	170066486	/nfs/dbraw/zinc/06/64/86/170066486.db2.gz	NEKIUJOPLITFBM-UHFFFAOYSA-N	1	0	271.704	1.540	50	5		CDBARO
C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000193566659	278561588	/nfs/dbraw/zinc/56/15/88/278561588.db2.gz	CFRFHLPKYKUNBU-SKDRFNHKSA-N	1	0	263.297	1.209	50	5		CDBARO
CC[NH+](CC)CCC[C@H](C)Nc1ncnc(N)c1[N+](=O)[O-]	ZINC000003912510	279102102	/nfs/dbraw/zinc/10/21/02/279102102.db2.gz	FKJUDAMJFOFLRM-JTQLQIEISA-N	1	0	296.375	1.889	50	5		CDBARO
CC1(C)CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1	ZINC000090539913	483251716	/nfs/dbraw/zinc/25/17/16/483251716.db2.gz	GHGBJGYKERBQPM-LLVKDONJSA-N	1	0	252.318	1.960	50	5		CDBARO
C[NH+](C)C1CCN(c2ccc(C=O)c([N+](=O)[O-])c2)CC1	ZINC000169725294	136557045	/nfs/dbraw/zinc/55/70/45/136557045.db2.gz	GYWLIIWNSNTXDM-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
CCOC(=O)c1coc(C[N+]2(C)CCOCC2)c1	ZINC000003066117	355993037	/nfs/dbraw/zinc/99/30/37/355993037.db2.gz	LBXRZECPRNABDO-UHFFFAOYSA-N	1	0	254.306	1.433	50	5		CDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1	ZINC000023114972	358037688	/nfs/dbraw/zinc/03/76/88/358037688.db2.gz	YGSACGKXKWFRRP-GFCCVEGCSA-N	1	0	250.298	1.799	50	5		CDBARO
[NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000089091786	283479327	/nfs/dbraw/zinc/47/93/27/283479327.db2.gz	GNMJJMKZNVAKPG-CABZTGNLSA-N	1	0	299.352	1.001	50	5		CDBARO
C[NH+]1CCN(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1	ZINC000031623081	375810685	/nfs/dbraw/zinc/81/06/85/375810685.db2.gz	VGUWZCUCNQXGBU-UHFFFAOYSA-N	1	0	274.324	1.824	50	5		CDBARO
C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc([N+](=O)[O-])cc1	ZINC000095421203	277626340	/nfs/dbraw/zinc/62/63/40/277626340.db2.gz	SHMWKPQQPHAEOH-WDEREUQCSA-N	1	0	275.312	1.926	50	5		CDBARO
Cc1ccnc(N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000585092430	362014674	/nfs/dbraw/zinc/01/46/74/362014674.db2.gz	WNCIVIWTGJPORU-AWEZNQCLSA-N	1	0	294.355	1.191	50	5		CDBARO
Cc1cccc[n+]1-c1c(N)c2cc([N+](=O)[O-])ccc2[nH]c1=O	ZINC000006315342	274805026	/nfs/dbraw/zinc/80/50/26/274805026.db2.gz	NXJHPDARXGJGDB-UHFFFAOYSA-O	1	0	297.294	1.604	50	5		CDBARO
C[N@@H+]1CCCC[C@@H]1CCSc1ncc([N+](=O)[O-])c(N)n1	ZINC000521394974	357236793	/nfs/dbraw/zinc/23/67/93/357236793.db2.gz	JXHDLFCMZDUPPP-SECBINFHSA-N	1	0	297.384	1.764	50	5		CDBARO
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CC[NH2+]CC1	ZINC000000362563	169617500	/nfs/dbraw/zinc/61/75/00/169617500.db2.gz	NWBKOSXFBDNWTK-UHFFFAOYSA-N	1	0	289.291	1.190	50	5		CDBARO
C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004321353	184531816	/nfs/dbraw/zinc/53/18/16/184531816.db2.gz	BWWVFSVVGTUGGW-UHFFFAOYSA-N	1	0	268.273	1.867	50	5		CDBARO
C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000195558796	287015979	/nfs/dbraw/zinc/01/59/79/287015979.db2.gz	YCIIEVJUCDOSFZ-SECBINFHSA-N	1	0	265.313	1.757	50	5		CDBARO
CC1(C)N=C(Nc2ccccc2[N+](=O)[O-])NC(=[NH2+])N1	ZINC000004846221	342089172	/nfs/dbraw/zinc/08/91/72/342089172.db2.gz	DLVJSVJORVDPHD-UHFFFAOYSA-N	1	0	262.273	1.017	50	5		CDBARO
C[NH+]1CCC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000012795877	374581914	/nfs/dbraw/zinc/58/19/14/374581914.db2.gz	JTARHOVGCHEXGE-UHFFFAOYSA-N	1	0	278.312	1.811	50	5		CDBARO
O=[N+]([O-])c1ccc(OCCCC[NH2+]CCO)cc1	ZINC000002901351	375369048	/nfs/dbraw/zinc/36/90/48/375369048.db2.gz	GCCFLMCOKKMAJW-UHFFFAOYSA-N	1	0	254.286	1.336	50	5		CDBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1	ZINC000070120898	285137950	/nfs/dbraw/zinc/13/79/50/285137950.db2.gz	DBWWREKDKUMRKP-SNVBAGLBSA-N	1	0	299.352	1.015	50	5		CDBARO
Nc1cc(N)[nH+]c(SCc2ccc([N+](=O)[O-])cc2)n1	ZINC000004748551	170011162	/nfs/dbraw/zinc/01/11/62/170011162.db2.gz	YDVIJASIWHCTDN-UHFFFAOYSA-N	1	0	277.309	1.842	50	5		CDBARO
CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1	ZINC000229627719	275899534	/nfs/dbraw/zinc/89/95/34/275899534.db2.gz	ULFUWQJCYRXOEK-UHFFFAOYSA-N	1	0	299.352	1.015	50	5		CDBARO
CC[NH+](CC)C[C@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	ZINC000002781177	279132417	/nfs/dbraw/zinc/13/24/17/279132417.db2.gz	YSWHVJXIDFDNAD-VIFPVBQESA-N	1	0	297.359	1.097	50	5		CDBARO
[NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981556	351392290	/nfs/dbraw/zinc/39/22/90/351392290.db2.gz	RBTOVHWKCCAALK-ZJUUUORDSA-N	1	0	299.352	1.143	50	5		CDBARO
C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1	ZINC000239782577	363368516	/nfs/dbraw/zinc/36/85/16/363368516.db2.gz	CPKDXGJMVXIOES-UWVGGRQHSA-N	1	0	267.329	1.989	50	5		CDBARO
CC[NH+](CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000000093274	358656282	/nfs/dbraw/zinc/65/62/82/358656282.db2.gz	ZRRXXXGBVDGATC-GFCCVEGCSA-N	1	0	291.307	1.569	50	5		CDBARO
[NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000051693348	391021139	/nfs/dbraw/zinc/02/11/39/391021139.db2.gz	UPWCLTDDFJOOKP-UHFFFAOYSA-N	1	0	299.352	1.143	50	5		CDBARO
CC[NH+](CC)CCn1cc(Cl)cc([N+](=O)[O-])c1=O	ZINC000097377166	356101216	/nfs/dbraw/zinc/10/12/16/356101216.db2.gz	QQOPQKDFXGYUMV-UHFFFAOYSA-N	1	0	273.720	1.752	50	5		CDBARO
Cc1cc(C)c(C[N+]23CN4CN(CN(C4)C2)C3)c(C)c1	ZINC000019321047	356481078	/nfs/dbraw/zinc/48/10/78/356481078.db2.gz	BTCAMAZADXKUDK-UHFFFAOYSA-N	1	0	273.404	1.620	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](CO)C1	ZINC000023114876	358037550	/nfs/dbraw/zinc/03/75/50/358037550.db2.gz	UDGNNSUSQFPLEM-LLVKDONJSA-N	1	0	250.298	1.799	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1OC[C@H]1CCC[NH2+]C1	ZINC000014631339	359069931	/nfs/dbraw/zinc/06/99/31/359069931.db2.gz	LMXCRCVBCOTBEG-JTQLQIEISA-N	1	0	266.297	1.982	50	5		CDBARO
O=[N+]([O-])c1ccc(-n2ccnc2)cc1N1CC[NH2+]CC1	ZINC000038518565	275034838	/nfs/dbraw/zinc/03/48/38/275034838.db2.gz	HGTYHXHOEQDHOA-UHFFFAOYSA-N	1	0	273.296	1.190	50	5		CDBARO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2CO)c1	ZINC000195570189	342628860	/nfs/dbraw/zinc/62/88/60/342628860.db2.gz	JFIGOTMBFRJSAJ-BPLDGKMQSA-N	1	0	294.351	1.769	50	5		CDBARO
CC1([NH3+])CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000592380751	342687461	/nfs/dbraw/zinc/68/74/61/342687461.db2.gz	XRBTYLMSFVFWCB-UHFFFAOYSA-N	1	0	299.352	1.097	50	5		CDBARO
COc1ccc(C(=O)O[C@H](C)C[N+](C)(C)C)cc1	ZINC000000215707	361974296	/nfs/dbraw/zinc/97/42/96/361974296.db2.gz	SONDGBVNSUUHNL-LLVKDONJSA-N	1	0	252.334	1.947	50	5	biogenic	CDBARO
CN1C=C(C(=O)NCCC[N+](C)(C)C)C=C/C1=C\N=O	ZINC000137772246	348757609	/nfs/dbraw/zinc/75/76/09/348757609.db2.gz	AWUFUPQZTBKRDK-JLHYYAGUSA-O	1	0	279.364	1.192	50	5		CDBARO
C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850142	180046109	/nfs/dbraw/zinc/04/61/09/180046109.db2.gz	IUCOROLDKWZBSJ-GWCFXTLKSA-N	1	0	266.297	1.397	50	5		CDBARO
C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1	ZINC000036192476	361220353	/nfs/dbraw/zinc/22/03/53/361220353.db2.gz	CATQAWLHXUBATG-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
C[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004143282	375891567	/nfs/dbraw/zinc/89/15/67/375891567.db2.gz	DAVRYBDIZYBJOI-MRVPVSSYSA-N	1	0	273.720	1.631	50	5		CDBARO
O=[N+]([O-])c1ccc(C[n+]2ccccc2)c([N+](=O)[O-])c1	ZINC000004582952	275035589	/nfs/dbraw/zinc/03/55/89/275035589.db2.gz	LXPWWMFGFAZCNB-UHFFFAOYSA-N	1	0	260.229	1.839	50	5		CDBARO
CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000019940148	374829056	/nfs/dbraw/zinc/82/90/56/374829056.db2.gz	DVRSXMIJEYOQSF-GFCCVEGCSA-N	1	0	291.307	1.569	50	5		CDBARO
CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000195531482	397727812	/nfs/dbraw/zinc/72/78/12/397727812.db2.gz	WSCOTZVHVRZXJG-TZMCWYRMSA-N	1	0	296.371	1.807	50	5		CDBARO
CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899770	170037863	/nfs/dbraw/zinc/03/78/63/170037863.db2.gz	NCCAUSZFESISCS-KWQFWETISA-N	1	0	251.286	1.907	50	5		CDBARO
CC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000008728403	170350409	/nfs/dbraw/zinc/35/04/09/170350409.db2.gz	HGZDDXXNZMKURS-UHFFFAOYSA-N	1	0	251.286	1.582	50	5		CDBARO
O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)nc1	ZINC000042774141	364622749	/nfs/dbraw/zinc/62/27/49/364622749.db2.gz	QQPDKJOPBGSSTE-UHFFFAOYSA-N	1	0	251.286	1.758	50	5		CDBARO
CC[NH+](CC)CCCNc1ncnc(N)c1[N+](=O)[O-]	ZINC000003912506	365411077	/nfs/dbraw/zinc/41/10/77/365411077.db2.gz	SXKFWFMYYYHTMY-UHFFFAOYSA-N	1	0	268.321	1.111	50	5		CDBARO
C[C@H](O)CNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004179195	375902988	/nfs/dbraw/zinc/90/29/88/375902988.db2.gz	GCFLFGGWPVVVQA-NSHDSACASA-N	1	0	294.355	1.139	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000004182252	275036530	/nfs/dbraw/zinc/03/65/30/275036530.db2.gz	QAWKMLWGDOMDTO-LLVKDONJSA-N	1	0	292.295	1.787	50	5		CDBARO
CC(C)OC(=O)C[C@@H]([NH3+])c1ccccc1[N+](=O)[O-]	ZINC000020268538	277669537	/nfs/dbraw/zinc/66/95/37/277669537.db2.gz	PPDSCYOUHQUYRX-SNVBAGLBSA-N	1	0	252.270	1.936	50	5		CDBARO
NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000097375145	342002753	/nfs/dbraw/zinc/00/27/53/342002753.db2.gz	JQUUSPNPBYIGSU-CHWSQXEVSA-N	1	0	277.324	1.729	50	5		CDBARO
O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N1CCCC1	ZINC000088616560	366076348	/nfs/dbraw/zinc/07/63/48/366076348.db2.gz	NQUADNKAEXNFRW-UHFFFAOYSA-N	1	0	289.335	1.575	50	5		CDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](CO)C2)c1	ZINC000023114974	358037584	/nfs/dbraw/zinc/03/75/84/358037584.db2.gz	YGSACGKXKWFRRP-LBPRGKRZSA-N	1	0	250.298	1.799	50	5		CDBARO
O=[N+]([O-])c1cc(Br)cnc1[C@H]1CC[NH2+]C1	ZINC000071790999	275033072	/nfs/dbraw/zinc/03/30/72/275033072.db2.gz	YXSSIQVKYYTXGR-LURJTMIESA-N	1	0	272.102	1.829	50	5		CDBARO
CC[C@H](C)[C@@H](C[NH+](C)C)Nc1c([N+](=O)[O-])ncn1C	ZINC000585092389	930922475	/nfs/dbraw/zinc/92/24/75/930922475.db2.gz	UGODXHAXXGBQQO-VHSXEESVSA-N	1	0	269.349	1.717	50	5		CDBARO
CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[NH2+]1	ZINC000091554157	349777459	/nfs/dbraw/zinc/77/74/59/349777459.db2.gz	LWAMIIPZWAJJOV-JTQLQIEISA-N	1	0	267.333	1.674	50	5		CDBARO
CC(C)C[NH2+]CCOC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002168176	169778719	/nfs/dbraw/zinc/77/87/19/169778719.db2.gz	YJMBUSCJOSPCPS-UHFFFAOYSA-N	1	0	266.297	1.997	50	5		CDBARO
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc2c(c1)OCO2	ZINC000000554726	357232219	/nfs/dbraw/zinc/23/22/19/357232219.db2.gz	WFVNPXZPQMSPDQ-JTQLQIEISA-N	1	0	266.317	1.667	50	5		CDBARO
COCCNc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000009192168	378470963	/nfs/dbraw/zinc/47/09/63/378470963.db2.gz	RSIJCLJMLNKWCA-UHFFFAOYSA-N	1	0	280.328	1.063	50	5		CDBARO
O=[N+]([O-])c1cccc(-c2cn(O)c3c([n+]2=O)CCC3)c1	ZINC000334157306	285152612	/nfs/dbraw/zinc/15/26/12/285152612.db2.gz	UJMTZRODJUEVQX-UHFFFAOYSA-N	1	0	274.256	1.704	50	5		CDBARO
[NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000044556152	303396699	/nfs/dbraw/zinc/39/66/99/303396699.db2.gz	YYZLVRPRZFJYRO-JTQLQIEISA-N	1	0	299.352	1.097	50	5		CDBARO
C[N+](C)(C)CCOC(=O)C[C@H]1COc2ccccc2O1	ZINC000005164828	230369422	/nfs/dbraw/zinc/36/94/22/230369422.db2.gz	RBYSWAKYAJVLAK-LBPRGKRZSA-N	1	0	280.344	1.466	50	5		CDBARO
CN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000085361634	179033521	/nfs/dbraw/zinc/03/35/21/179033521.db2.gz	DZRLFWUGIGRXDW-UHFFFAOYSA-N	1	0	299.758	1.811	50	5		CDBARO
CC[N@H+](CCC(N)=O)Cc1ccccc1[N+](=O)[O-]	ZINC000097679532	356234879	/nfs/dbraw/zinc/23/48/79/356234879.db2.gz	XNRLIJNGVJXBFQ-UHFFFAOYSA-N	1	0	251.286	1.292	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCCCN2CC[NH+](C)CC2)c1	ZINC000004868841	170034217	/nfs/dbraw/zinc/03/42/17/170034217.db2.gz	IRMDETIIFKBSPX-UHFFFAOYSA-N	1	0	293.367	1.920	50	5		CDBARO
CCCC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000007982494	170311774	/nfs/dbraw/zinc/31/17/74/170311774.db2.gz	QMMARBAOELWOEG-UHFFFAOYSA-N	1	0	281.312	1.932	50	5		CDBARO
Nc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	ZINC000095986286	185056453	/nfs/dbraw/zinc/05/64/53/185056453.db2.gz	NGAMUHLTTDTDGD-LLVKDONJSA-N	1	0	276.340	1.503	50	5		CDBARO
[NH3+]Cc1cc(F)c(I)cc1[N+](=O)[O-]	ZINC000169800535	362148836	/nfs/dbraw/zinc/14/88/36/362148836.db2.gz	ZVRQGIWCJLRYRR-UHFFFAOYSA-N	1	0	296.039	1.797	50	5		CDBARO
CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1	ZINC000032804120	260146124	/nfs/dbraw/zinc/14/61/24/260146124.db2.gz	KRLBJGIWFJEVMY-UHFFFAOYSA-N	1	0	289.335	1.968	50	5		CDBARO
C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccncc1	ZINC000097084010	375145233	/nfs/dbraw/zinc/14/52/33/375145233.db2.gz	XGPNHBGBIBKVCG-JTQLQIEISA-N	1	0	261.285	1.537	50	5		CDBARO
CCOC(=O)C[C@]1(C)OC[C@@H](C[N+]2(C)CCCCC2)O1	ZINC000003638820	375769055	/nfs/dbraw/zinc/76/90/55/375769055.db2.gz	FPVINZFDZHCBKF-UKRRQHHQSA-N	1	0	286.392	1.702	50	5		CDBARO
CN(C)CC[NH2+]CCOCCOc1ccccc1[N+](=O)[O-]	ZINC000005049744	170061211	/nfs/dbraw/zinc/06/12/11/170061211.db2.gz	IPBRSYRHEBMUJO-UHFFFAOYSA-N	1	0	297.355	1.141	50	5		CDBARO
Cc1ccc([N+](=O)[O-])c(OCC[NH2+]CCN(C)C)c1	ZINC000005049777	170061572	/nfs/dbraw/zinc/06/15/72/170061572.db2.gz	AITAZLPFNQIDBX-UHFFFAOYSA-N	1	0	267.329	1.433	50	5		CDBARO
C[N@@H+]1CCN(c2ncccc2[N+](=O)[O-])CC1(C)C	ZINC000594873595	342972763	/nfs/dbraw/zinc/97/27/63/342972763.db2.gz	APMYQCDIKNQYIG-UHFFFAOYSA-N	1	0	250.302	1.520	50	5		CDBARO
COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC	ZINC000004990140	170050714	/nfs/dbraw/zinc/05/07/14/170050714.db2.gz	FPFADJLVZGXUIJ-UHFFFAOYSA-N	1	0	295.339	1.359	50	5		CDBARO
O=[N+]([O-])c1ccc(SC2=[NH+]CCCN2)c([N+](=O)[O-])c1	ZINC000001735872	285138749	/nfs/dbraw/zinc/13/87/49/285138749.db2.gz	REJMAHWFWFRYQH-UHFFFAOYSA-N	1	0	282.281	1.944	50	5		CDBARO
NC(=[NH2+])SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004015666	169930208	/nfs/dbraw/zinc/93/02/08/169930208.db2.gz	SXIJJTQJULQMIK-UHFFFAOYSA-N	1	0	254.271	1.160	50	5		CDBARO
CSCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899518	170037809	/nfs/dbraw/zinc/03/78/09/170037809.db2.gz	PLBWRAWSHVJPTL-JTQLQIEISA-N	1	0	269.326	1.614	50	5		CDBARO
CC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000005065455	170062869	/nfs/dbraw/zinc/06/28/69/170062869.db2.gz	ZCYYDAFQZDUZAY-UHFFFAOYSA-N	1	0	293.367	1.920	50	5		CDBARO
CC(C)(C)[NH2+][C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000022016032	171349749	/nfs/dbraw/zinc/34/97/49/171349749.db2.gz	HILZEJUHMCGOIB-NSHDSACASA-N	1	0	291.307	1.615	50	5		CDBARO
CC[NH+]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000022591566	273663450	/nfs/dbraw/zinc/66/34/50/273663450.db2.gz	FYAIIQGHSQLQAC-UHFFFAOYSA-N	1	0	293.323	1.461	50	5		CDBARO
CC(=O)N1CC[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc21	ZINC000015952669	275469997	/nfs/dbraw/zinc/46/99/97/275469997.db2.gz	ICMZPORYJMYECY-UHFFFAOYSA-N	1	0	290.324	1.977	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@H](O)C2	ZINC000000178977	359258513	/nfs/dbraw/zinc/25/85/13/359258513.db2.gz	HGUJHFLMLANSQL-OFWKBQFLSA-N	1	0	263.317	1.696	50	5		CDBARO
CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004180619	375910905	/nfs/dbraw/zinc/91/09/05/375910905.db2.gz	BQOCSKAYCFGAQT-UHFFFAOYSA-N	1	0	254.246	1.524	50	5		CDBARO
Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000084189979	390643974	/nfs/dbraw/zinc/64/39/74/390643974.db2.gz	NMVQOVCVHYKWRT-JQWIXIFHSA-N	1	0	277.324	1.832	50	5		CDBARO
NC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000004987194	170049642	/nfs/dbraw/zinc/04/96/42/170049642.db2.gz	SFTGNNSWLGSSMZ-LLVKDONJSA-N	1	0	263.297	1.292	50	5		CDBARO
C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000012795875	170511452	/nfs/dbraw/zinc/51/14/52/170511452.db2.gz	GLINZGVDHZZNLZ-UHFFFAOYSA-N	1	0	278.312	1.811	50	5		CDBARO
Cc1ccc(OC[C@@H]2[NH2+]CCS2)cc1[N+](=O)[O-]	ZINC000020390602	171179381	/nfs/dbraw/zinc/17/93/81/171179381.db2.gz	PDQTWEZRPLDAPK-LLVKDONJSA-N	1	0	254.311	1.945	50	5		CDBARO
C[N@H+]1C[C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@H]2C1	ZINC000193536960	277199173	/nfs/dbraw/zinc/19/91/73/277199173.db2.gz	IEKNBCDHXFAFHD-AOOOYVTPSA-N	1	0	262.313	1.175	50	5		CDBARO
COc1cc([N+](=O)[O-])cnc1N1CC[NH+](C(C)C)CC1	ZINC000863949047	741874204	/nfs/dbraw/zinc/87/42/04/741874204.db2.gz	BCABBWAGTKEKSP-UHFFFAOYSA-N	1	0	280.328	1.529	50	5		CDBARO
O=[N+]([O-])c1cccnc1N[C@H]1CCCN(CCF)C1	ZINC000585092395	902247770	/nfs/dbraw/zinc/24/77/70/902247770.db2.gz	UUSAMCGPFFJRCJ-JTQLQIEISA-N	1	0	268.292	1.836	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1	ZINC000095349630	374886312	/nfs/dbraw/zinc/88/63/12/374886312.db2.gz	JDFFWDLFEARPMP-STQMWFEESA-N	1	0	292.339	1.025	50	5		CDBARO
CC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000095376597	374892656	/nfs/dbraw/zinc/89/26/56/374892656.db2.gz	RTIAAYSQKVCRIQ-UHFFFAOYSA-N	1	0	295.339	1.546	50	5		CDBARO
C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)[S@@](C)=O	ZINC000095436248	374937877	/nfs/dbraw/zinc/93/78/77/374937877.db2.gz	BCRLWBAEDAPCGP-XLFHBGCDSA-N	1	0	256.327	1.451	50	5		CDBARO
CCOC(=O)C[C@@]1(C)OC[C@H](C[N+]2(C)CCCCC2)O1	ZINC000003638821	375769977	/nfs/dbraw/zinc/76/99/77/375769977.db2.gz	FPVINZFDZHCBKF-ZFWWWQNUSA-N	1	0	286.392	1.702	50	5		CDBARO
O=[N+]([O-])c1ccc2nc(N3CC[NH2+]CC3)ccc2c1	ZINC000002530705	285148978	/nfs/dbraw/zinc/14/89/78/285148978.db2.gz	GGDBEAVVGFNWIA-UHFFFAOYSA-N	1	0	258.281	1.553	50	5	in-vivo	CDBARO
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1	ZINC000004481964	169971515	/nfs/dbraw/zinc/97/15/15/169971515.db2.gz	GMKXDUGJTXJRHW-CYBMUJFWSA-N	1	0	280.324	1.867	50	5		CDBARO
Cn1c2ccc([N+](=O)[O-])cc2[n+]2cc([N+](=O)[O-])ccc12	ZINC000239562955	274655398	/nfs/dbraw/zinc/65/53/98/274655398.db2.gz	NEBZNDACRISGLD-UHFFFAOYSA-N	1	0	273.228	1.733	50	5		CDBARO
O=[N+]([O-])c1cc(Br)cnc1[C@@H]1CC[NH2+]C1	ZINC000071790998	275033157	/nfs/dbraw/zinc/03/31/57/275033157.db2.gz	YXSSIQVKYYTXGR-ZCFIWIBFSA-N	1	0	272.102	1.829	50	5		CDBARO
C[N@@+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	ZINC000252462709	280178252	/nfs/dbraw/zinc/17/82/52/280178252.db2.gz	VNSCAEYOVMUMCH-BZPMIXESSA-N	1	0	251.262	1.427	50	5	biogenic	CDBARO
CC(=O)c1c(C)n(O)c2cc([N+](=O)[O-])ccc2[n+]1=O	ZINC000135925913	346617736	/nfs/dbraw/zinc/61/77/36/346617736.db2.gz	IBMSRVMXTXSLIT-UHFFFAOYSA-N	1	0	264.217	1.212	50	5		CDBARO
O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H](O)CC1	ZINC000252701440	373173969	/nfs/dbraw/zinc/17/39/69/373173969.db2.gz	DELTZHFOMFJNKL-HAQNSBGRSA-N	1	0	250.298	1.988	50	5		CDBARO
CCOC(=O)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000252441182	393220049	/nfs/dbraw/zinc/22/00/49/393220049.db2.gz	JPHOAYNPGBNGHY-WOSRLPQWSA-N	1	0	284.376	1.502	50	5	biogenic	CDBARO
C[NH+]1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000005041944	170059453	/nfs/dbraw/zinc/05/94/53/170059453.db2.gz	UUGLFJMOUQLIAA-UHFFFAOYSA-N	1	0	294.380	1.975	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1	ZINC000226461376	280100761	/nfs/dbraw/zinc/10/07/61/280100761.db2.gz	FHHZJANUXKSFJB-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
C[N+](C)(C)CCOC(=O)[C@@H]1OCCc2ccccc21	ZINC000000490960	365568591	/nfs/dbraw/zinc/56/85/91/365568591.db2.gz	GKJYAGYYOTXPNJ-CQSZACIVSA-N	1	0	264.345	1.550	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000006059880	361222390	/nfs/dbraw/zinc/22/23/90/361222390.db2.gz	JEMQDFFQACGZGG-GFCCVEGCSA-N	1	0	280.324	1.820	50	5		CDBARO
O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c1	ZINC000089780829	366933843	/nfs/dbraw/zinc/93/38/43/366933843.db2.gz	AMUWDBYHTCKSHD-LBPRGKRZSA-N	1	0	284.337	1.262	50	5		CDBARO
C[NH+](C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000142256597	342434745	/nfs/dbraw/zinc/43/47/45/342434745.db2.gz	OVUXKOAUZYEBIW-UHFFFAOYSA-N	1	0	277.324	1.761	50	5		CDBARO
Cc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000004590976	357073635	/nfs/dbraw/zinc/07/36/35/357073635.db2.gz	NRDREXDIENVEEF-UHFFFAOYSA-N	1	0	251.286	1.195	50	5		CDBARO
C[N@@H+]1CC[C@]2(C1)CCCN(c1ncccc1[N+](=O)[O-])C2	ZINC000585092010	930920116	/nfs/dbraw/zinc/92/01/16/930920116.db2.gz	AMFUOWBTZWBSGJ-AWEZNQCLSA-N	1	0	276.340	1.912	50	5		CDBARO
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH+]2CCCCC2)cc1	ZINC000096027512	351475292	/nfs/dbraw/zinc/47/52/92/351475292.db2.gz	PJWKHFUUONPSEU-ZIAGYGMSSA-N	1	0	280.324	1.475	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCC[NH2+]C1	ZINC000014631337	359069974	/nfs/dbraw/zinc/06/99/74/359069974.db2.gz	LMXCRCVBCOTBEG-SNVBAGLBSA-N	1	0	266.297	1.982	50	5		CDBARO
CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000002625143	375276962	/nfs/dbraw/zinc/27/69/62/375276962.db2.gz	QUUCGDRLXJATEM-UHFFFAOYSA-N	1	0	291.351	1.690	50	5		CDBARO
Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-]	ZINC000002935528	375375588	/nfs/dbraw/zinc/37/55/88/375375588.db2.gz	QEAVLLDXMJVFPM-SNVBAGLBSA-N	1	0	279.340	1.831	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCCCC1	ZINC000004344178	285126350	/nfs/dbraw/zinc/12/63/50/285126350.db2.gz	IEZDTNCUMWPRTD-UHFFFAOYSA-N	1	0	290.367	1.995	50	5		CDBARO
O=C(CN1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005092628	170065705	/nfs/dbraw/zinc/06/57/05/170065705.db2.gz	PFYAUYIMWCFEFY-UHFFFAOYSA-N	1	0	298.730	1.092	50	5		CDBARO
CC[NH+](CC)CCSc1nc[nH]c(=O)c1[N+](=O)[O-]	ZINC000670421066	482942656	/nfs/dbraw/zinc/94/26/56/482942656.db2.gz	NMVVRBXVYLIEGA-UHFFFAOYSA-N	1	0	272.330	1.524	50	5		CDBARO
CN1C=CC(C(=O)NCCC[N+](C)(C)C)=C/C1=C/N=O	ZINC000135882935	348757697	/nfs/dbraw/zinc/75/76/97/348757697.db2.gz	LWHJSIZBXGUMTJ-QBFSEMIESA-O	1	0	279.364	1.192	50	5		CDBARO
CN(CC[NH+]1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000013758068	365967706	/nfs/dbraw/zinc/96/77/06/365967706.db2.gz	IBOKJUAXDYEXAI-UHFFFAOYSA-N	1	0	291.351	1.692	50	5		CDBARO
CCONC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000033226706	357788413	/nfs/dbraw/zinc/78/84/13/357788413.db2.gz	DHLYRNOJGVWACQ-UHFFFAOYSA-N	1	0	276.252	1.462	50	5		CDBARO
CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001910367	392004858	/nfs/dbraw/zinc/00/48/58/392004858.db2.gz	XFFMPXFHVNRUKC-UHFFFAOYSA-N	1	0	265.313	1.666	50	5		CDBARO
C[NH+](C)C1CCN(c2cc(C=O)ccc2[N+](=O)[O-])CC1	ZINC000095081153	393142366	/nfs/dbraw/zinc/14/23/66/393142366.db2.gz	ITXUBXCCWSHQRD-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
CN(C)c1cc[n+](Cc2ccccc2[N+](=O)[O-])cc1	ZINC000005719593	170132762	/nfs/dbraw/zinc/13/27/62/170132762.db2.gz	NCHFBANYEHSKRY-UHFFFAOYSA-N	1	0	258.301	1.476	50	5		CDBARO
C[NH+](C)C[C@](C)(O)CNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000089901374	179880333	/nfs/dbraw/zinc/88/03/33/179880333.db2.gz	JHUJLCUUDAPOHE-GFCCVEGCSA-N	1	0	287.747	1.973	50	5		CDBARO
[NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000125145684	351403075	/nfs/dbraw/zinc/40/30/75/351403075.db2.gz	OBCRDRKAYPZJNR-UWVGGRQHSA-N	1	0	299.352	1.143	50	5		CDBARO
NC(=O)c1cc[n+](CCOc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000347497	359559799	/nfs/dbraw/zinc/55/97/99/359559799.db2.gz	ZAAXWPZGYHRHQK-UHFFFAOYSA-O	1	0	288.283	1.060	50	5		CDBARO
O=[N+]([O-])c1ccc(OCC[C@@H]2CCCC[NH2+]2)nc1	ZINC000042774152	364622918	/nfs/dbraw/zinc/62/29/18/364622918.db2.gz	LTBYYDKHQDCFMB-JTQLQIEISA-N	1	0	251.286	1.901	50	5		CDBARO
CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012801752	361036874	/nfs/dbraw/zinc/03/68/74/361036874.db2.gz	XJVLJEVUXWJBTJ-UHFFFAOYSA-N	1	0	251.286	1.921	50	5		CDBARO
O=[N+]([O-])c1ccn(CCN2CCOc3ccccc3C2)n1	ZINC000089865491	366948041	/nfs/dbraw/zinc/94/80/41/366948041.db2.gz	ROFQIFIRAKDRMN-UHFFFAOYSA-N	1	0	288.307	1.686	50	5		CDBARO
O=[N+]([O-])c1ccsc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1	ZINC000108329606	412824316	/nfs/dbraw/zinc/82/43/16/412824316.db2.gz	DYMYCDDBKOLASH-UWVGGRQHSA-N	1	0	283.353	1.931	50	5		CDBARO
C[C@@H](O)CNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004179201	375902890	/nfs/dbraw/zinc/90/28/90/375902890.db2.gz	GCFLFGGWPVVVQA-LLVKDONJSA-N	1	0	294.355	1.139	50	5		CDBARO
COc1cccc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-]	ZINC000188497620	376304479	/nfs/dbraw/zinc/30/44/79/376304479.db2.gz	IPMPLBUCPVVFKG-UHFFFAOYSA-N	1	0	295.339	1.738	50	5		CDBARO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC1C[NH2+]C1	ZINC000042770156	285086786	/nfs/dbraw/zinc/08/67/86/285086786.db2.gz	AQKLDHYNULJRLA-UHFFFAOYSA-N	1	0	262.187	1.964	50	5		CDBARO
O=[N+]([O-])c1c(N2CC[N@@H+]3CCC[C@@H]3C2)nc2ccccn21	ZINC000024659946	275032680	/nfs/dbraw/zinc/03/26/80/275032680.db2.gz	HZIKEQWYTKADBL-LLVKDONJSA-N	1	0	287.323	1.527	50	5		CDBARO
COc1c2c(cc3c1[C@H](C[N+](=O)[O-])N(C)CC3)OCO2	ZINC000020311221	277365509	/nfs/dbraw/zinc/36/55/09/277365509.db2.gz	SFTLDAVMHMOGKU-VIFPVBQESA-N	1	0	280.280	1.230	50	5	biogenic	CDBARO
C[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl	ZINC000019864514	786031036	/nfs/dbraw/zinc/03/10/36/786031036.db2.gz	XGYPZUGNJNKRPJ-QMMMGPOBSA-N	1	0	260.677	1.207	50	5		CDBARO
O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](C2CCCC2)CC1	ZINC000095978278	185051740	/nfs/dbraw/zinc/05/17/40/185051740.db2.gz	QPCLWSOTNDGRHH-UHFFFAOYSA-N	1	0	293.327	1.018	50	5		CDBARO
CCOC(=O)c1ccc(C[N+]2(C)CCOCC2)o1	ZINC000000548996	355915554	/nfs/dbraw/zinc/91/55/54/355915554.db2.gz	RBZLFKVTWYVUHV-UHFFFAOYSA-N	1	0	254.306	1.433	50	5		CDBARO
Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000084189982	357885982	/nfs/dbraw/zinc/88/59/82/357885982.db2.gz	NMVQOVCVHYKWRT-CMPLNLGQSA-N	1	0	277.324	1.832	50	5		CDBARO
CC[N@@+]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252441334	367428920	/nfs/dbraw/zinc/42/89/20/367428920.db2.gz	QIVWXVZLBPQWKQ-XHLKGYDDSA-N	1	0	296.387	1.335	50	5	biogenic	CDBARO
O=C(Nc1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1	ZINC000067800595	374431250	/nfs/dbraw/zinc/43/12/50/374431250.db2.gz	XGARZIIJIWFUEF-UHFFFAOYSA-N	1	0	264.285	1.468	50	5		CDBARO
O=[N+]([O-])c1cc(Cl)ccc1NCC[NH2+]CCO	ZINC000004599020	357073967	/nfs/dbraw/zinc/07/39/67/357073967.db2.gz	JJNARJRYRLCABJ-UHFFFAOYSA-N	1	0	259.693	1.242	50	5		CDBARO
CC[N+](CC)(CC)CCNC(=O)c1ccc(N)cc1	ZINC000002247555	373506953	/nfs/dbraw/zinc/50/69/53/373506953.db2.gz	VCVMLAOCKROJOY-UHFFFAOYSA-O	1	0	264.393	1.875	50	5		CDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000003877865	391933337	/nfs/dbraw/zinc/93/33/37/391933337.db2.gz	HMNVCTLPNUWCPO-UHFFFAOYSA-N	1	0	272.308	1.895	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)CO	ZINC000004868094	170034084	/nfs/dbraw/zinc/03/40/84/170034084.db2.gz	AUASLHHTKBKVIM-UHFFFAOYSA-N	1	0	254.286	1.464	50	5		CDBARO
CC1=C[C@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@H]2C1	ZINC000096129682	276186289	/nfs/dbraw/zinc/18/62/89/276186289.db2.gz	GOEBHGSAJXXUNJ-MELADBBJSA-N	1	0	279.404	1.670	50	5	biogenic	CDBARO
CNc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004688289	570248989	/nfs/dbraw/zinc/24/89/89/570248989.db2.gz	DQJZRATWFYQSGH-UHFFFAOYSA-N	1	0	250.302	1.388	50	5		CDBARO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1	ZINC000004819239	900708333	/nfs/dbraw/zinc/70/83/33/900708333.db2.gz	NOSFWVXSNGKPRN-LBPRGKRZSA-N	1	0	266.297	1.430	50	5		CDBARO
CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000592380226	342687107	/nfs/dbraw/zinc/68/71/07/342687107.db2.gz	SSBBQCVPGRGYOX-UHFFFAOYSA-N	1	0	299.352	1.097	50	5		CDBARO
[NH3+]C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1	ZINC000595120161	343005717	/nfs/dbraw/zinc/00/57/17/343005717.db2.gz	PCUVAPRGVRYJQP-UHFFFAOYSA-N	1	0	299.352	1.145	50	5		CDBARO
C[NH+]1CCN(Cc2c[nH]c3cc([N+](=O)[O-])ccc23)CC1	ZINC000328578030	345791862	/nfs/dbraw/zinc/79/18/62/345791862.db2.gz	LGTPLBQTVISMCH-UHFFFAOYSA-N	1	0	274.324	1.824	50	5		CDBARO
COc1ccc([N+](=O)[O-])cc1OC1CC[NH2+]CC1	ZINC000014631970	359070066	/nfs/dbraw/zinc/07/00/66/359070066.db2.gz	VQVKXYNFXMSOGW-UHFFFAOYSA-N	1	0	252.270	1.734	50	5		CDBARO
CC[N@+]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000252441331	367428347	/nfs/dbraw/zinc/42/83/47/367428347.db2.gz	QIVWXVZLBPQWKQ-DIWUDIOASA-N	1	0	296.387	1.335	50	5	biogenic	CDBARO
COCC[NH2+]CCOCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003003408	375502793	/nfs/dbraw/zinc/50/27/93/375502793.db2.gz	QMLVADPNQGUFHX-UHFFFAOYSA-N	1	0	298.339	1.535	50	5		CDBARO
Cc1ccc(OCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000003003518	375503797	/nfs/dbraw/zinc/50/37/97/375503797.db2.gz	SKLCLUKYEUBFIC-UHFFFAOYSA-N	1	0	293.367	1.920	50	5		CDBARO
[NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000044556149	175202301	/nfs/dbraw/zinc/20/23/01/175202301.db2.gz	YYZLVRPRZFJYRO-SNVBAGLBSA-N	1	0	299.352	1.097	50	5		CDBARO
[NH3+]CCCCn1cc(-c2cccc([N+](=O)[O-])c2)nn1	ZINC000219653913	342005011	/nfs/dbraw/zinc/00/50/11/342005011.db2.gz	VUZNHJRCHGAGEQ-UHFFFAOYSA-N	1	0	261.285	1.592	50	5		CDBARO
O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC[C@H]2CO)c1	ZINC000252585537	342385733	/nfs/dbraw/zinc/38/57/33/342385733.db2.gz	JFIGOTMBFRJSAJ-AEGPPILISA-N	1	0	294.351	1.769	50	5		CDBARO
C[NH+](C)C[C@@](C)(O)CNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000089901376	179880202	/nfs/dbraw/zinc/88/02/02/179880202.db2.gz	JHUJLCUUDAPOHE-LBPRGKRZSA-N	1	0	287.747	1.973	50	5		CDBARO
CC[N+](C)(CC)CCNC(=O)COc1ccccc1O	ZINC000002700240	169821133	/nfs/dbraw/zinc/82/11/33/169821133.db2.gz	FIMKYFWTKVFNSG-UHFFFAOYSA-O	1	0	281.376	1.374	50	5		CDBARO
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+](C)C	ZINC000002824339	169835282	/nfs/dbraw/zinc/83/52/82/169835282.db2.gz	AQNLZXIGDUEOLO-SNVBAGLBSA-N	1	0	265.313	1.522	50	5		CDBARO
CC1=C[C@@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@H]2C1	ZINC000096129681	275919593	/nfs/dbraw/zinc/91/95/93/275919593.db2.gz	GOEBHGSAJXXUNJ-HZSPNIEDSA-N	1	0	279.404	1.670	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CCO)CC1	ZINC000004987152	527396189	/nfs/dbraw/zinc/39/61/89/527396189.db2.gz	XTLNYLRQJWXZRM-HWKANZROSA-N	1	0	291.351	1.218	50	5		CDBARO
O=[N+]([O-])c1cc(F)ccc1OCCN1CCOCC1	ZINC000036617315	362204693	/nfs/dbraw/zinc/20/46/93/362204693.db2.gz	UOPJRBMOLAMHAG-UHFFFAOYSA-N	1	0	270.260	1.445	50	5		CDBARO
Cc1ccc(OCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000020118624	367013035	/nfs/dbraw/zinc/01/30/35/367013035.db2.gz	GQPPEZBDSBAORQ-UHFFFAOYSA-N	1	0	279.340	1.529	50	5		CDBARO
C[C@H](O)C[NH2+]CCNc1c(Cl)cccc1[N+](=O)[O-]	ZINC000004156887	375894018	/nfs/dbraw/zinc/89/40/18/375894018.db2.gz	RWYKAWYSJIOERS-QMMMGPOBSA-N	1	0	273.720	1.631	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[NH2+]1	ZINC000004179345	375902556	/nfs/dbraw/zinc/90/25/56/375902556.db2.gz	MKUHRNFZJODRNV-MRVPVSSYSA-N	1	0	266.257	1.301	50	5		CDBARO
[NH3+]CCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000003268006	169874195	/nfs/dbraw/zinc/87/41/95/169874195.db2.gz	DGFKDNXGDXZIMP-YFHOEESVSA-N	1	0	293.304	1.590	50	5		CDBARO
C[NH+](C)CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000009322035	170371712	/nfs/dbraw/zinc/37/17/12/170371712.db2.gz	ZFLNGWUZDPSGSH-UHFFFAOYSA-N	1	0	266.301	1.057	50	5		CDBARO
[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]12	ZINC000252585234	279679619	/nfs/dbraw/zinc/67/96/19/279679619.db2.gz	HEDFEIAKBWDXRK-ZMLRMANQSA-N	1	0	275.308	1.404	50	5		CDBARO
CC1(C)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)(C)O1	ZINC000097103294	323207565	/nfs/dbraw/zinc/20/75/65/323207565.db2.gz	XVKCUSSMMIZKBG-JTQLQIEISA-N	1	0	282.344	1.727	50	5		CDBARO
[NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000125146122	351403116	/nfs/dbraw/zinc/40/31/16/351403116.db2.gz	OBCRDRKAYPZJNR-ZJUUUORDSA-N	1	0	299.352	1.143	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1	ZINC000070120607	361577567	/nfs/dbraw/zinc/57/75/67/361577567.db2.gz	SHBVJEHJRUFJQJ-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
CC(=O)Nc1cc(NCC[NH+](C)C)c(F)cc1[N+](=O)[O-]	ZINC000012990162	373905487	/nfs/dbraw/zinc/90/54/87/373905487.db2.gz	CTGFFBIKZBHELV-UHFFFAOYSA-N	1	0	284.291	1.666	50	5		CDBARO
CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000004187419	375910474	/nfs/dbraw/zinc/91/04/74/375910474.db2.gz	HGVAOTSORBBXKB-UHFFFAOYSA-N	1	0	278.312	1.305	50	5		CDBARO
Cc1cc(N2CCNC(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083748	393192927	/nfs/dbraw/zinc/19/29/27/393192927.db2.gz	BGOVKJAZKGHGJT-UHFFFAOYSA-N	1	0	286.291	1.388	50	5		CDBARO
CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000195531483	397727319	/nfs/dbraw/zinc/72/73/19/397727319.db2.gz	WSCOTZVHVRZXJG-GXTWGEPZSA-N	1	0	296.371	1.807	50	5		CDBARO
CC(=O)c1cc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-]	ZINC000253415523	277106342	/nfs/dbraw/zinc/10/63/42/277106342.db2.gz	RYBIVAQXKOROTM-UHFFFAOYSA-N	1	0	263.297	1.548	50	5		CDBARO
[NH3+]Cc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	ZINC000034960524	364335192	/nfs/dbraw/zinc/33/51/92/364335192.db2.gz	SMDKQNDCGNOVLS-UHFFFAOYSA-N	1	0	250.176	1.995	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CCN(Cc3cccnc3)CC2)nc1	ZINC000012642931	374146192	/nfs/dbraw/zinc/14/61/92/374146192.db2.gz	WVERSGOGPGQZSA-UHFFFAOYSA-N	1	0	299.334	1.707	50	5		CDBARO
Cc1ccc(OCCC[NH2+]C[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000012699697	376029049	/nfs/dbraw/zinc/02/90/49/376029049.db2.gz	PVDQYNFJSHOCEN-LLVKDONJSA-N	1	0	268.313	1.643	50	5		CDBARO
CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004521637	390210926	/nfs/dbraw/zinc/21/09/26/390210926.db2.gz	AXZJHDNQDSVIDR-LLVKDONJSA-N	1	0	251.286	1.907	50	5		CDBARO
[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@H]12	ZINC000239807475	131079551	/nfs/dbraw/zinc/07/95/51/131079551.db2.gz	CSGQQIVXQBZHIZ-JFUSQASVSA-N	1	0	293.298	1.543	50	5		CDBARO
C[NH+](C)CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000004685200	169998636	/nfs/dbraw/zinc/99/86/36/169998636.db2.gz	UJOSQAMSLHLUEF-UHFFFAOYSA-N	1	0	282.369	1.833	50	5		CDBARO
Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000023013774	171406371	/nfs/dbraw/zinc/40/63/71/171406371.db2.gz	PNXSJAMFLRGULY-UHFFFAOYSA-N	1	0	291.351	1.975	50	5		CDBARO
C[NH2+][C@@H](C)CNc1ncc([N+](=O)[O-])cc1Br	ZINC000261575816	536345002	/nfs/dbraw/zinc/34/50/02/536345002.db2.gz	JWQQAHWVOITFSQ-LURJTMIESA-N	1	0	289.133	1.772	50	5		CDBARO
[NH3+]C1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000051693347	527141917	/nfs/dbraw/zinc/14/19/17/527141917.db2.gz	VRDNQBUFINZSTP-UHFFFAOYSA-N	1	0	299.352	1.143	50	5		CDBARO
O=C1C[C@H]([NH2+]CC2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000095630533	185016853	/nfs/dbraw/zinc/01/68/53/185016853.db2.gz	DCVWSFBEAZLFSA-LBPRGKRZSA-N	1	0	289.291	1.226	50	5		CDBARO
Cc1cc(=O)n(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000187694671	189473931	/nfs/dbraw/zinc/47/39/31/189473931.db2.gz	AEFLEIADGBFUHK-UHFFFAOYSA-N	1	0	279.340	1.941	50	5		CDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC000004321355	390195063	/nfs/dbraw/zinc/19/50/63/390195063.db2.gz	ODAGIQIWCQSUQH-IUCAKERBSA-N	1	0	280.284	1.690	50	5		CDBARO
Cc1ccc(NC(=O)NCC[NH+]2CC=CC2)cc1[N+](=O)[O-]	ZINC000101488367	397798440	/nfs/dbraw/zinc/79/84/40/397798440.db2.gz	CLWJLYAPHLNOMS-UHFFFAOYSA-N	1	0	290.323	1.897	50	5		CDBARO
O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1	ZINC000006092488	170175628	/nfs/dbraw/zinc/17/56/28/170175628.db2.gz	MUVROTJILUATRW-VIFPVBQESA-N	1	0	250.254	1.500	50	5		CDBARO
Nc1c(C(=O)N2CCC(C[NH3+])CC2)cc(F)cc1[N+](=O)[O-]	ZINC000097019491	185152585	/nfs/dbraw/zinc/15/25/85/185152585.db2.gz	IFORGYNCKUVJOL-UHFFFAOYSA-N	1	0	296.302	1.127	50	5		CDBARO
Cc1ccnc(NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-]	ZINC000115515921	186675132	/nfs/dbraw/zinc/67/51/32/186675132.db2.gz	PLRVYEYYQYNZJO-GFCCVEGCSA-N	1	0	294.355	1.557	50	5		CDBARO
NC(=[NH2+])SCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000239563199	363313749	/nfs/dbraw/zinc/31/37/49/363313749.db2.gz	XVPWMFYSWUSPDS-UHFFFAOYSA-N	1	0	256.243	1.630	50	5		CDBARO
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000089819061	366941317	/nfs/dbraw/zinc/94/13/17/366941317.db2.gz	MMBKPZLIMAEUCO-UPJWGTAASA-N	1	0	281.356	1.129	50	5		CDBARO
O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCS2(=O)=O)c1	ZINC000089780830	366933304	/nfs/dbraw/zinc/93/33/04/366933304.db2.gz	AMUWDBYHTCKSHD-GFCCVEGCSA-N	1	0	284.337	1.262	50	5		CDBARO
COc1cc2c(cc1OC)[C@H](C)[N@+](C)(CCO)CC2	ZINC000253389839	373682003	/nfs/dbraw/zinc/68/20/03/373682003.db2.gz	QTDLNPKJXHKAKD-ZBEGNZNMSA-N	1	0	266.361	1.760	50	5	biogenic	CDBARO
C[NH+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000095972961	375044903	/nfs/dbraw/zinc/04/49/03/375044903.db2.gz	QGDNXERWHSNGAY-UHFFFAOYSA-N	1	0	271.704	1.540	50	5		CDBARO
C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccncc1	ZINC000097084011	375145202	/nfs/dbraw/zinc/14/52/02/375145202.db2.gz	XGPNHBGBIBKVCG-SNVBAGLBSA-N	1	0	261.285	1.537	50	5		CDBARO
CC[NH+](CC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000002781271	375326765	/nfs/dbraw/zinc/32/67/65/375326765.db2.gz	QGKGIHMQXVWNFT-NSHDSACASA-N	1	0	297.359	1.028	50	5		CDBARO
O=[N+]([O-])c1ccccc1OCCCCN1CC[NH2+]CC1	ZINC000002838863	375342376	/nfs/dbraw/zinc/34/23/76/375342376.db2.gz	KIGAIXZCZPQBPD-UHFFFAOYSA-N	1	0	279.340	1.659	50	5		CDBARO
CC(=O)N1CC[n+]2cc(-c3cccc([N+](=O)[O-])c3)sc21	ZINC000002597976	169814801	/nfs/dbraw/zinc/81/48/01/169814801.db2.gz	GCCQYKMCBUTNCD-UHFFFAOYSA-N	1	0	290.324	1.977	50	5		CDBARO
NC(=[NH2+])c1cc(I)cc([N+](=O)[O-])c1	ZINC000004014361	391934061	/nfs/dbraw/zinc/93/40/61/391934061.db2.gz	VRCINAZTWBQGIX-UHFFFAOYSA-N	1	0	291.048	1.483	50	5		CDBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1	ZINC000044492450	175180974	/nfs/dbraw/zinc/18/09/74/175180974.db2.gz	PESMKRWYIIHDOL-JTQLQIEISA-N	1	0	299.352	1.015	50	5		CDBARO
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CC[NH2+]CC1	ZINC000004358782	275035996	/nfs/dbraw/zinc/03/59/96/275035996.db2.gz	ZDKRZHDONYTTIP-UHFFFAOYSA-N	1	0	276.340	1.605	50	5		CDBARO
C[NH+](C)C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000048462345	276773862	/nfs/dbraw/zinc/77/38/62/276773862.db2.gz	NQDVAQRKFNBPCH-UHFFFAOYSA-N	1	0	250.302	1.520	50	5		CDBARO
C[NH+](C)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)C12CCC2	ZINC000585117972	930978577	/nfs/dbraw/zinc/97/85/77/930978577.db2.gz	LEPUATLFOQZHGG-GHMZBOCLSA-N	1	0	277.328	1.670	50	5		CDBARO
C[N+]1(CCOC(=O)c2ccc(O)cc2O)CCCCC1	ZINC000000492442	365665016	/nfs/dbraw/zinc/66/50/16/365665016.db2.gz	NWJQFDHXMIJTKQ-UHFFFAOYSA-O	1	0	280.344	1.885	50	5		CDBARO
COc1c2c(cc3c1[C@@H](C[C@@H](C)O)[N+](C)(C)CC3)OCO2	ZINC000000485790	365006209	/nfs/dbraw/zinc/00/62/09/365006209.db2.gz	JDHJUNPYLKPCMG-ZYHUDNBSSA-N	1	0	294.371	1.868	50	5	biogenic	CDBARO
O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1	ZINC000095349632	374886095	/nfs/dbraw/zinc/88/60/95/374886095.db2.gz	JDFFWDLFEARPMP-QWHCGFSZSA-N	1	0	292.339	1.025	50	5		CDBARO
CN(C)CC[NH2+]CCOc1cccc([N+](=O)[O-])c1	ZINC000005049470	170061378	/nfs/dbraw/zinc/06/13/78/170061378.db2.gz	OIIPCYRFKSQRSI-UHFFFAOYSA-N	1	0	253.302	1.125	50	5		CDBARO
CC[NH+](CC)CCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000096778504	185111903	/nfs/dbraw/zinc/11/19/03/185111903.db2.gz	UPRAOOFNWZNLCQ-UHFFFAOYSA-N	1	0	253.302	1.407	50	5		CDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1	ZINC000004321356	274364636	/nfs/dbraw/zinc/36/46/36/274364636.db2.gz	ODAGIQIWCQSUQH-RKDXNWHRSA-N	1	0	280.284	1.690	50	5		CDBARO
CC1=C[C@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@@H]2C1	ZINC000004184308	278509077	/nfs/dbraw/zinc/50/90/77/278509077.db2.gz	GOEBHGSAJXXUNJ-BFHYXJOUSA-N	1	0	279.404	1.670	50	5		CDBARO
C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421202	279389324	/nfs/dbraw/zinc/38/93/24/279389324.db2.gz	SHMWKPQQPHAEOH-MNOVXSKESA-N	1	0	275.312	1.926	50	5		CDBARO
CC[NH+](CC)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000002836488	355983778	/nfs/dbraw/zinc/98/37/78/355983778.db2.gz	KERGYICXYAUTHB-UHFFFAOYSA-N	1	0	295.339	1.675	50	5		CDBARO
C[NH+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002900983	356089333	/nfs/dbraw/zinc/08/93/33/356089333.db2.gz	GRFMMVHWUWNDQY-UHFFFAOYSA-N	1	0	251.286	1.276	50	5		CDBARO
C[NH+](C)C1CCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1	ZINC000036192474	392370628	/nfs/dbraw/zinc/37/06/28/392370628.db2.gz	KCELCRPRLXURJN-UHFFFAOYSA-N	1	0	277.324	1.938	50	5		CDBARO
COC[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000004997335	170052376	/nfs/dbraw/zinc/05/23/76/170052376.db2.gz	PSFXBQOKVMDECA-QMMMGPOBSA-N	1	0	268.269	1.448	50	5		CDBARO
Cc1cc(N2CC[C@@]3(CCC[N@H+]3C)C2)ncc1[N+](=O)[O-]	ZINC000952880566	910441972	/nfs/dbraw/zinc/44/19/72/910441972.db2.gz	BZMXHTIYBHUXQP-AWEZNQCLSA-N	1	0	276.340	1.973	50	5		CDBARO
Cc1ccnc(N2CC[C@@H]([NH+]3CCC3)C2)c1[N+](=O)[O-]	ZINC000952883883	910459697	/nfs/dbraw/zinc/45/96/97/910459697.db2.gz	ZDSRDDPOJKANIA-LLVKDONJSA-N	1	0	262.313	1.583	50	5		CDBARO
Cc1ccnc(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000585092356	362013514	/nfs/dbraw/zinc/01/35/14/362013514.db2.gz	RHVIFJPCVACWDJ-NEPJUHHUSA-N	1	0	276.340	1.686	50	5		CDBARO
C[NH+](C)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003154224	375562972	/nfs/dbraw/zinc/56/29/72/375562972.db2.gz	LKPYPWIZCULEMC-UHFFFAOYSA-N	1	0	283.240	1.221	50	5		CDBARO
CC[NH+](CC)CCNC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000003643032	375772028	/nfs/dbraw/zinc/77/20/28/375772028.db2.gz	OOJUQSOXMJPIKU-UHFFFAOYSA-N	1	0	295.339	1.432	50	5		CDBARO
C[C@@H](O)C[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004156877	375893736	/nfs/dbraw/zinc/89/37/36/375893736.db2.gz	SFBLWALWAIFDJS-MRVPVSSYSA-N	1	0	273.720	1.631	50	5		CDBARO
C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000193566632	278561131	/nfs/dbraw/zinc/56/11/31/278561131.db2.gz	CFRFHLPKYKUNBU-BXKDBHETSA-N	1	0	263.297	1.209	50	5		CDBARO