smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001022061524	884012819	/nfs/dbraw/zinc/01/28/19/884012819.db2.gz	MFBQXSPLSGSHOS-BZNPZCIMSA-N	1	1	295.303	-1.388	20	5		CABDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001323930292	884640137	/nfs/dbraw/zinc/64/01/37/884640137.db2.gz	LBXPDUSFBXIIHB-SNVBAGLBSA-N	1	1	284.276	-1.631	20	5		CABDMO
NC(=O)[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1	ZINC001349771141	886147468	/nfs/dbraw/zinc/14/74/68/886147468.db2.gz	OVRUIQJEBGHQMC-LBPRGKRZSA-N	1	1	296.283	-1.010	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(CO)COCC[NH2+]2)n1	ZINC001454788448	892017392	/nfs/dbraw/zinc/01/73/92/892017392.db2.gz	YQAZNJQBQBOGSD-NSHDSACASA-N	1	1	299.287	-1.591	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)n1	ZINC001454788444	892017426	/nfs/dbraw/zinc/01/74/26/892017426.db2.gz	YQAZNJQBQBOGSD-LLVKDONJSA-N	1	1	299.287	-1.591	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCO)n1	ZINC001455783762	892056840	/nfs/dbraw/zinc/05/68/40/892056840.db2.gz	WGZANPWVVSKBEY-UHFFFAOYSA-N	1	1	271.277	-1.018	20	5		CABDMO
C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](CO)C1	ZINC001470600789	892324866	/nfs/dbraw/zinc/32/48/66/892324866.db2.gz	DQOQTUGZPZYAJC-QMMMGPOBSA-N	1	1	284.276	-1.679	20	5		CABDMO
C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](CO)C1	ZINC001470600789	892324887	/nfs/dbraw/zinc/32/48/87/892324887.db2.gz	DQOQTUGZPZYAJC-QMMMGPOBSA-N	1	1	284.276	-1.679	20	5		CABDMO
C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1CCNC1=O	ZINC001480863367	892553924	/nfs/dbraw/zinc/55/39/24/892553924.db2.gz	WSADGCBWVKCZDM-NXEZZACHSA-N	1	1	299.331	-1.275	20	5		CABDMO
C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCN1CCNC1=O	ZINC001480863367	892553929	/nfs/dbraw/zinc/55/39/29/892553929.db2.gz	WSADGCBWVKCZDM-NXEZZACHSA-N	1	1	299.331	-1.275	20	5		CABDMO
C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCN1CCNC1=O	ZINC001480863367	892553931	/nfs/dbraw/zinc/55/39/31/892553931.db2.gz	WSADGCBWVKCZDM-NXEZZACHSA-N	1	1	299.331	-1.275	20	5		CABDMO
NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497585489	893627992	/nfs/dbraw/zinc/62/79/92/893627992.db2.gz	WSZWJBGSATWMCL-XLNBVVSQSA-N	1	1	256.262	-1.601	20	5		CABDMO
CN(CCC[NH2+]CC(N)=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001498546701	893682507	/nfs/dbraw/zinc/68/25/07/893682507.db2.gz	XRDNIZRKCRFPLA-HTQZYQBOSA-N	1	1	258.278	-1.425	20	5		CABDMO
Cc1nn(C)c(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC000358873315	230248614	/nfs/dbraw/zinc/24/86/14/230248614.db2.gz	TYVHEPFYPZBTGZ-ZETCQYMHSA-N	1	1	268.277	-1.100	20	5		CABDMO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1COCC[NH2+]1	ZINC000424166189	230278963	/nfs/dbraw/zinc/27/89/63/230278963.db2.gz	BVAFQPPMCIUSGC-VIFPVBQESA-N	1	1	269.261	-1.104	20	5		CABDMO
C[C@H](O)C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000428508274	230295928	/nfs/dbraw/zinc/29/59/28/230295928.db2.gz	ICSPHRNSLHADQB-VIFPVBQESA-N	1	1	298.303	-1.289	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COC[C@@H]1O	ZINC000352789309	529961999	/nfs/dbraw/zinc/96/19/99/529961999.db2.gz	BTVHHCSHTDZGNC-DCAQKATOSA-N	1	1	286.288	-1.156	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CC2)n1	ZINC000599095206	373166119	/nfs/dbraw/zinc/16/61/19/373166119.db2.gz	AUVJYYXFRUDLQI-UHFFFAOYSA-N	1	1	275.290	-1.078	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O	ZINC000285419625	374113284	/nfs/dbraw/zinc/11/32/84/374113284.db2.gz	BTVHHCSHTDZGNC-HBNTYKKESA-N	1	1	286.288	-1.156	20	5		CABDMO
O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000600530710	374136229	/nfs/dbraw/zinc/13/62/29/374136229.db2.gz	JELDDLTYJWMMII-SNVBAGLBSA-N	1	1	283.288	-1.026	20	5		CABDMO
COCC[N@@H+](C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000344268420	533315234	/nfs/dbraw/zinc/31/52/34/533315234.db2.gz	YQSLVTJRUZELRA-UHFFFAOYSA-N	1	1	286.292	-1.119	20	5		CABDMO
C[C@@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926476	533657091	/nfs/dbraw/zinc/65/70/91/533657091.db2.gz	OOVLCPJFRZSXBK-MWLCHTKSSA-N	1	1	288.304	-1.173	20	5		CABDMO
CN(C)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862403	409456478	/nfs/dbraw/zinc/45/64/78/409456478.db2.gz	TZLHERVYARGYPX-WOPDTQHZSA-N	1	1	299.331	-1.241	20	5		CABDMO
CN(C)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862403	409456481	/nfs/dbraw/zinc/45/64/81/409456481.db2.gz	TZLHERVYARGYPX-WOPDTQHZSA-N	1	1	299.331	-1.241	20	5		CABDMO
Nc1nc(NCC[N@H+]2CC[C@H](O)C2)ncc1[N+](=O)[O-]	ZINC000599200082	409746727	/nfs/dbraw/zinc/74/67/27/409746727.db2.gz	VYEJBXOYTBCMSX-ZETCQYMHSA-N	1	1	268.277	-1.133	20	5		CABDMO
Cc1nn(C)c(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC000358873276	230247282	/nfs/dbraw/zinc/24/72/82/230247282.db2.gz	TYVHEPFYPZBTGZ-SSDOTTSWSA-N	1	1	268.277	-1.100	20	5		CABDMO
[NH3+]CC(F)(F)CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000427165204	230291773	/nfs/dbraw/zinc/29/17/73/230291773.db2.gz	QMOJTAILKHTWAS-UHFFFAOYSA-N	1	1	264.192	-1.104	20	5		CABDMO
C[NH+](C)C[C@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338652	782136766	/nfs/dbraw/zinc/13/67/66/782136766.db2.gz	HDBQFRUIQUGMCV-MNOVXSKESA-N	1	1	287.320	-1.336	20	5		CABDMO
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[NH2+]1	ZINC000341800374	582110489	/nfs/dbraw/zinc/11/04/89/582110489.db2.gz	RTNMMLJWZJKJML-RXMQYKEDSA-N	1	1	267.249	-1.770	20	5		CABDMO
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[NH2+]1	ZINC000341800378	582110497	/nfs/dbraw/zinc/11/04/97/582110497.db2.gz	RTNMMLJWZJKJML-YFKPBYRVSA-N	1	1	267.249	-1.770	20	5		CABDMO
O=C1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1	ZINC000743843971	582140970	/nfs/dbraw/zinc/14/09/70/582140970.db2.gz	IAEBFVQGVCMHKG-JTQLQIEISA-N	1	1	283.288	-1.026	20	5		CABDMO
O=C1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1	ZINC000743843971	582140971	/nfs/dbraw/zinc/14/09/71/582140971.db2.gz	IAEBFVQGVCMHKG-JTQLQIEISA-N	1	1	283.288	-1.026	20	5		CABDMO
O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025778565	656068257	/nfs/dbraw/zinc/06/82/57/656068257.db2.gz	UWSMRMMZOSKPJN-SPFKKGSWSA-N	1	1	255.274	-1.310	20	5		CABDMO
O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025778565	656068258	/nfs/dbraw/zinc/06/82/58/656068258.db2.gz	UWSMRMMZOSKPJN-SPFKKGSWSA-N	1	1	255.274	-1.310	20	5		CABDMO
O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CC1[N+](=O)[O-]	ZINC001025778565	656068261	/nfs/dbraw/zinc/06/82/61/656068261.db2.gz	UWSMRMMZOSKPJN-SPFKKGSWSA-N	1	1	255.274	-1.310	20	5		CABDMO
NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001020139108	657290611	/nfs/dbraw/zinc/29/06/11/657290611.db2.gz	QYBBAPVOFSAJPQ-WCTZXXKLSA-N	1	1	256.262	-1.626	20	5		CABDMO
Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001020139005	657290635	/nfs/dbraw/zinc/29/06/35/657290635.db2.gz	MFBQXSPLSGSHOS-FNCVBFRFSA-N	1	1	295.303	-1.388	20	5		CABDMO
NC(=O)C([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O	ZINC001254581515	780605271	/nfs/dbraw/zinc/60/52/71/780605271.db2.gz	LKMOXJOGIAWNDA-MRVPVSSYSA-N	1	1	278.268	-1.009	20	5		CABDMO
C[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150883	782888097	/nfs/dbraw/zinc/88/80/97/782888097.db2.gz	ZSVTVQGEJLEKPO-MRVPVSSYSA-N	1	1	257.250	-1.431	20	5		CABDMO
C[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001116150884	782888595	/nfs/dbraw/zinc/88/85/95/782888595.db2.gz	ZSVTVQGEJLEKPO-QMMMGPOBSA-N	1	1	257.250	-1.431	20	5		CABDMO
CNC(=O)CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001126161367	775354912	/nfs/dbraw/zinc/35/49/12/775354912.db2.gz	IXKKQJLMZQPKQX-UHFFFAOYSA-N	1	1	298.303	-1.330	20	5		CABDMO
CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126932097	775730890	/nfs/dbraw/zinc/73/08/90/775730890.db2.gz	IHTWODJZRZQJIA-RKDXNWHRSA-N	1	1	272.305	-1.164	20	5		CABDMO
Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126932210	775731291	/nfs/dbraw/zinc/73/12/91/775731291.db2.gz	MITTXCFKFLCCFD-RKDXNWHRSA-N	1	1	268.277	-1.314	20	5		CABDMO
CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC001126932087	775731372	/nfs/dbraw/zinc/73/13/72/775731372.db2.gz	HQXBPBXYDPALMW-NXEZZACHSA-N	1	1	284.316	-1.022	20	5		CABDMO
CC(=O)NCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C	ZINC001122667637	775954382	/nfs/dbraw/zinc/95/43/82/775954382.db2.gz	JTFONZFIQJKROQ-UHFFFAOYSA-N	1	1	298.303	-1.330	20	5		CABDMO
NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001086363493	776507956	/nfs/dbraw/zinc/50/79/56/776507956.db2.gz	XKOFDXYRRRMVFP-FNCVBFRFSA-N	1	1	270.289	-1.379	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001303625819	778140829	/nfs/dbraw/zinc/14/08/29/778140829.db2.gz	IAFASYAOWGBVAN-UHFFFAOYSA-N	1	1	298.299	-1.203	20	5		CABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CC[C@H](O)C1	ZINC001118904625	779595750	/nfs/dbraw/zinc/59/57/50/779595750.db2.gz	IIVSMAGBEJXESD-QMMMGPOBSA-N	1	1	284.276	-1.631	20	5		CABDMO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@]1(CO)COCC[NH2+]1	ZINC001151817115	779816704	/nfs/dbraw/zinc/81/67/04/779816704.db2.gz	KWUATDHDXWMXLH-NSHDSACASA-N	1	1	299.287	-1.742	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC001155244940	779871442	/nfs/dbraw/zinc/87/14/42/779871442.db2.gz	RDSXJWGYHMQHFN-UHFFFAOYSA-N	1	1	271.277	-1.168	20	5		CABDMO
O=C(NCCC[NH2+]CCOCCO)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767177	779912584	/nfs/dbraw/zinc/91/25/84/779912584.db2.gz	IPNFCEGKNVJOTH-NXEZZACHSA-N	1	1	275.305	-1.244	20	5		CABDMO
CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767457	779913393	/nfs/dbraw/zinc/91/33/93/779913393.db2.gz	NGXREZIEDUZCDN-RKDXNWHRSA-N	1	1	272.305	-1.164	20	5		CABDMO
Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162434969	780031228	/nfs/dbraw/zinc/03/12/28/780031228.db2.gz	AWCKYPQXMPOFAT-UJNFCWOMSA-N	1	1	279.304	-1.205	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])ccn2)[C@H]2NCN[C@H]21	ZINC001162434710	780031531	/nfs/dbraw/zinc/03/15/31/780031531.db2.gz	AFZHPRLXUQWRCL-IVZWLZJFSA-N	1	1	265.277	-1.513	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])ccn2)[C@@H]2NCN[C@@H]21	ZINC001162434708	780031894	/nfs/dbraw/zinc/03/18/94/780031894.db2.gz	AFZHPRLXUQWRCL-BBBLOLIVSA-N	1	1	265.277	-1.513	20	5		CABDMO
Cc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21	ZINC001162436365	780033202	/nfs/dbraw/zinc/03/32/02/780033202.db2.gz	KLSBBPHVTONXSV-WCABBAIRSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21	ZINC001162436363	780034251	/nfs/dbraw/zinc/03/42/51/780034251.db2.gz	KLSBBPHVTONXSV-ATZCPNFKSA-N	1	1	279.304	-1.205	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H]2NCN[C@H]21	ZINC001162436829	780036001	/nfs/dbraw/zinc/03/60/01/780036001.db2.gz	PYQYFDFZXTVOFT-AEJSXWLSSA-N	1	1	281.276	-2.275	20	5		CABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2NCN[C@@H]21	ZINC001162437630	780037125	/nfs/dbraw/zinc/03/71/25/780037125.db2.gz	CIKHRSVGGFVSDR-MRTMQBJTSA-N	1	1	283.267	-1.374	20	5		CABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2F)[C@H]2NCN[C@H]21	ZINC001162437634	780037930	/nfs/dbraw/zinc/03/79/30/780037930.db2.gz	CIKHRSVGGFVSDR-QXFUBDJGSA-N	1	1	283.267	-1.374	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cccc([N+](=O)[O-])n2)[C@@H]2NCN[C@H]21	ZINC001162438429	780038552	/nfs/dbraw/zinc/03/85/52/780038552.db2.gz	YQXQSRAABODHOH-AEJSXWLSSA-N	1	1	265.277	-1.513	20	5		CABDMO
Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c([N+](=O)[O-])c1	ZINC001162437819	780038603	/nfs/dbraw/zinc/03/86/03/780038603.db2.gz	VWUBAXUJSSKCBD-ATZCPNFKSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162438428	780039212	/nfs/dbraw/zinc/03/92/12/780039212.db2.gz	YPUYFPIIICROAZ-VWYCJHECSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c([N+](=O)[O-])c1	ZINC001162437822	780039363	/nfs/dbraw/zinc/03/93/63/780039363.db2.gz	VWUBAXUJSSKCBD-YWVKMMECSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162438425	780039454	/nfs/dbraw/zinc/03/94/54/780039454.db2.gz	YPUYFPIIICROAZ-DCAQKATOSA-N	1	1	279.304	-1.205	20	5		CABDMO
COc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c([N+](=O)[O-])c1	ZINC001162438994	780040281	/nfs/dbraw/zinc/04/02/81/780040281.db2.gz	JMDVCNGJUDPXOO-YWVKMMECSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162439330	780040517	/nfs/dbraw/zinc/04/05/17/780040517.db2.gz	LCBKETUKUZTDHT-MHSYXAOVSA-N	1	1	296.291	-2.110	20	5		CABDMO
COc1ncnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162439328	780040825	/nfs/dbraw/zinc/04/08/25/780040825.db2.gz	LCBKETUKUZTDHT-DTLFHODZSA-N	1	1	296.291	-2.110	20	5		CABDMO
COc1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162439327	780041062	/nfs/dbraw/zinc/04/10/62/780041062.db2.gz	LCBKETUKUZTDHT-APQOSEDMSA-N	1	1	296.291	-2.110	20	5		CABDMO
Nc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162441435	780046378	/nfs/dbraw/zinc/04/63/78/780046378.db2.gz	XSDMBDFCOXDPJM-UJNFCWOMSA-N	1	1	280.292	-1.931	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162446185	780050490	/nfs/dbraw/zinc/05/04/90/780050490.db2.gz	YKTJAKMARTUBAR-HRDYMLBCSA-N	1	1	280.292	-1.810	20	5		CABDMO
COc1ncnc(N2CC[NH2+][C@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC001166724448	780094137	/nfs/dbraw/zinc/09/41/37/780094137.db2.gz	AGDBZDLIMOIXPI-LURJTMIESA-N	1	1	282.260	-1.343	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH2+][C@H](C(N)=O)C1	ZINC001166724527	780094273	/nfs/dbraw/zinc/09/42/73/780094273.db2.gz	DCOYGBJBJQIWKO-QMMMGPOBSA-N	1	1	281.272	-1.200	20	5		CABDMO
NC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[NH2+]1	ZINC001166724777	780094649	/nfs/dbraw/zinc/09/46/49/780094649.db2.gz	FMOVQGRDCMMNDO-ZETCQYMHSA-N	1	1	266.261	-1.165	20	5		CABDMO
NC(=O)[C@@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]1	ZINC001166724649	780095082	/nfs/dbraw/zinc/09/50/82/780095082.db2.gz	WGHSZICAIXKARL-QMMMGPOBSA-N	1	1	267.245	-1.508	20	5		CABDMO
NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)CC[NH2+]1	ZINC001166725550	780095543	/nfs/dbraw/zinc/09/55/43/780095543.db2.gz	PBNGSMALIIGIGM-ZCFIWIBFSA-N	1	1	266.261	-1.165	20	5		CABDMO
COc1nc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@@H](C(N)=O)C2)n1	ZINC001166725509	780095560	/nfs/dbraw/zinc/09/55/60/780095560.db2.gz	NWPVAPDFKQEJOJ-SSDOTTSWSA-N	1	1	296.287	-1.035	20	5		CABDMO
C[N@H+]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795435	780435163	/nfs/dbraw/zinc/43/51/63/780435163.db2.gz	AOUXSEJANZPMDG-QMMMGPOBSA-N	1	1	288.260	-1.201	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346641	780591740	/nfs/dbraw/zinc/59/17/40/780591740.db2.gz	RRRATFIZDQICTB-LPEHRKFASA-N	1	1	272.261	-1.810	20	5		CABDMO
C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712530	780594882	/nfs/dbraw/zinc/59/48/82/780594882.db2.gz	LORYHYWDRRQEMV-NXEZZACHSA-N	1	1	283.288	-1.028	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCNC1=O	ZINC001253712539	780594949	/nfs/dbraw/zinc/59/49/49/780594949.db2.gz	LORYHYWDRRQEMV-VHSXEESVSA-N	1	1	283.288	-1.028	20	5		CABDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001146376923	781483565	/nfs/dbraw/zinc/48/35/65/781483565.db2.gz	QZSYJUPFVUTEID-VIFPVBQESA-N	1	1	297.319	-1.452	20	5		CABDMO
CNC(=O)C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159065	884542045	/nfs/dbraw/zinc/54/20/45/884542045.db2.gz	NYQXLOTZSUFKHH-VIFPVBQESA-N	1	1	271.277	-1.170	20	5		CABDMO
C[NH2+]C[C@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326503877	884801500	/nfs/dbraw/zinc/80/15/00/884801500.db2.gz	WWNVHDVPAAIMRE-UWVGGRQHSA-N	1	1	273.293	-1.678	20	5		CABDMO
C[NH2+]C[C@@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326503874	884801567	/nfs/dbraw/zinc/80/15/67/884801567.db2.gz	WWNVHDVPAAIMRE-NXEZZACHSA-N	1	1	273.293	-1.678	20	5		CABDMO
O=C(C[NH2+]CC[N+](=O)[O-])NCCN1CCOCC1	ZINC001356571074	886370700	/nfs/dbraw/zinc/37/07/00/886370700.db2.gz	PENYUKZHPRNWLV-UHFFFAOYSA-N	1	1	260.294	-1.699	20	5		CABDMO
NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001022063958	884014790	/nfs/dbraw/zinc/01/47/90/884014790.db2.gz	QYBBAPVOFSAJPQ-ULAWRXDQSA-N	1	1	256.262	-1.626	20	5		CABDMO
C[N@@H+](CCC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322444094	884553221	/nfs/dbraw/zinc/55/32/21/884553221.db2.gz	ADDBPWCYZCCAEK-VIFPVBQESA-N	1	1	271.277	-1.041	20	5		CABDMO
CN(C)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001323438249	884618818	/nfs/dbraw/zinc/61/88/18/884618818.db2.gz	ZCVYCELNLZOFDC-RKDXNWHRSA-N	1	1	284.316	-1.022	20	5		CABDMO
C[N@H+]1CC[C@](O)(CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1	ZINC001323930284	884641228	/nfs/dbraw/zinc/64/12/28/884641228.db2.gz	LBXPDUSFBXIIHB-JTQLQIEISA-N	1	1	284.276	-1.631	20	5		CABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CC[C@@H](O)C1	ZINC001331722384	885321750	/nfs/dbraw/zinc/32/17/50/885321750.db2.gz	IIVSMAGBEJXESD-MRVPVSSYSA-N	1	1	284.276	-1.631	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001471867696	892375519	/nfs/dbraw/zinc/37/55/19/892375519.db2.gz	IBYUYCGXJRZECT-UHFFFAOYSA-N	1	1	272.265	-1.773	20	5		CABDMO
CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474293	892418455	/nfs/dbraw/zinc/41/84/55/892418455.db2.gz	DPJICLXFDRPESK-GMTAPVOTSA-N	1	1	286.288	-1.156	20	5		CABDMO
CO[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474294	892420205	/nfs/dbraw/zinc/42/02/05/892420205.db2.gz	DPJICLXFDRPESK-HBNTYKKESA-N	1	1	286.288	-1.156	20	5		CABDMO
C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(N)=O	ZINC001479771091	892482875	/nfs/dbraw/zinc/48/28/75/892482875.db2.gz	VCZMLLIIWBRMHK-HTQZYQBOSA-N	1	1	258.278	-1.425	20	5		CABDMO
CN(CC[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001481229001	892585247	/nfs/dbraw/zinc/58/52/47/892585247.db2.gz	JFWZDFSOIIBZOA-NXEZZACHSA-N	1	1	284.316	-1.022	20	5		CABDMO
CNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001483464148	892765304	/nfs/dbraw/zinc/76/53/04/892765304.db2.gz	HTLRUBFGBGJFEW-RKDXNWHRSA-N	1	1	272.305	-1.164	20	5		CABDMO
CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001491017077	893231376	/nfs/dbraw/zinc/23/13/76/893231376.db2.gz	BNWNCORBMMEWIA-BZNPZCIMSA-N	1	1	270.289	-1.366	20	5		CABDMO
O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1COCC[NH2+]1	ZINC000424166185	230277584	/nfs/dbraw/zinc/27/75/84/230277584.db2.gz	BVAFQPPMCIUSGC-SECBINFHSA-N	1	1	269.261	-1.104	20	5		CABDMO
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000090551491	372887691	/nfs/dbraw/zinc/88/76/91/372887691.db2.gz	KUJMHZHNFFJLOA-AOOOYVTPSA-N	1	1	269.257	-1.206	20	5		CABDMO
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000090551491	372887699	/nfs/dbraw/zinc/88/76/99/372887699.db2.gz	KUJMHZHNFFJLOA-AOOOYVTPSA-N	1	1	269.257	-1.206	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)CCCO)c1	ZINC000075720413	372922926	/nfs/dbraw/zinc/92/29/26/372922926.db2.gz	HZTVQMFHOCNHDP-LLVKDONJSA-N	1	1	288.304	-1.171	20	5		CABDMO
CN1CC[NH2+]C[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000565656383	373020504	/nfs/dbraw/zinc/02/05/04/373020504.db2.gz	PPDOONUDGMUBFU-ZETCQYMHSA-N	1	1	268.277	-1.049	20	5		CABDMO
C[NH+](C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000590370191	373024463	/nfs/dbraw/zinc/02/44/63/373024463.db2.gz	VJWNEROCGUEREO-LURJTMIESA-N	1	1	257.250	-1.030	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1	ZINC000599107836	373168683	/nfs/dbraw/zinc/16/86/83/373168683.db2.gz	MKPFNAGSMHZHPY-BDINMYNLSA-N	1	1	287.301	-1.176	20	5		CABDMO
O=C(NCCN1CC[NH2+]CC1)c1n[nH]cc1[N+](=O)[O-]	ZINC000584528787	373645058	/nfs/dbraw/zinc/64/50/58/373645058.db2.gz	UPYACXFQEHMGSA-UHFFFAOYSA-N	1	1	268.277	-1.047	20	5		CABDMO
O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@@H+]1CC[C@H](O)C1	ZINC000600807489	374136506	/nfs/dbraw/zinc/13/65/06/374136506.db2.gz	HZXADNDTKYBOIJ-VIFPVBQESA-N	1	1	283.288	-1.026	20	5		CABDMO
C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000358051729	252155070	/nfs/dbraw/zinc/15/50/70/252155070.db2.gz	RNIVIZLHFNVBIN-NSHDSACASA-N	1	1	283.288	-1.026	20	5		CABDMO
C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083724	252155081	/nfs/dbraw/zinc/15/50/81/252155081.db2.gz	VXDGDYHCHHZFLJ-NSHDSACASA-N	1	1	283.288	-1.026	20	5		CABDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083723	252156279	/nfs/dbraw/zinc/15/62/79/252156279.db2.gz	VXDGDYHCHHZFLJ-LLVKDONJSA-N	1	1	283.288	-1.026	20	5		CABDMO
CN(C)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862398	409457039	/nfs/dbraw/zinc/45/70/39/409457039.db2.gz	TZLHERVYARGYPX-SRVKXCTJSA-N	1	1	299.331	-1.241	20	5		CABDMO
CN(C)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862398	409457045	/nfs/dbraw/zinc/45/70/45/409457045.db2.gz	TZLHERVYARGYPX-SRVKXCTJSA-N	1	1	299.331	-1.241	20	5		CABDMO
C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CCO	ZINC000428531194	230295210	/nfs/dbraw/zinc/29/52/10/230295210.db2.gz	FGWQMYOHKNDMJA-VIFPVBQESA-N	1	1	298.303	-1.289	20	5		CABDMO
C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CCO	ZINC000428531194	230295214	/nfs/dbraw/zinc/29/52/14/230295214.db2.gz	FGWQMYOHKNDMJA-VIFPVBQESA-N	1	1	298.303	-1.289	20	5		CABDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000444381414	230337684	/nfs/dbraw/zinc/33/76/84/230337684.db2.gz	ICSPHRNSLHADQB-SECBINFHSA-N	1	1	298.303	-1.289	20	5		CABDMO
C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262196	782031228	/nfs/dbraw/zinc/03/12/28/782031228.db2.gz	BTVCZWIUCVPYBC-VXGBXAGGSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262196	782031240	/nfs/dbraw/zinc/03/12/40/782031240.db2.gz	BTVCZWIUCVPYBC-VXGBXAGGSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262196	782031247	/nfs/dbraw/zinc/03/12/47/782031247.db2.gz	BTVCZWIUCVPYBC-VXGBXAGGSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262196	782031259	/nfs/dbraw/zinc/03/12/59/782031259.db2.gz	BTVCZWIUCVPYBC-VXGBXAGGSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[C@H](O)C[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926477	290081345	/nfs/dbraw/zinc/08/13/45/290081345.db2.gz	OOVLCPJFRZSXBK-ONGXEEELSA-N	1	1	288.304	-1.173	20	5		CABDMO
C[NH+](C)C[C@@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338654	782136906	/nfs/dbraw/zinc/13/69/06/782136906.db2.gz	HDBQFRUIQUGMCV-QWRGUYRKSA-N	1	1	287.320	-1.336	20	5		CABDMO
C[NH+](C)C[C@@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338655	782137680	/nfs/dbraw/zinc/13/76/80/782137680.db2.gz	HDBQFRUIQUGMCV-WDEREUQCSA-N	1	1	287.320	-1.336	20	5		CABDMO
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@H](O)[C@@H](O)C1	ZINC000444714773	534321213	/nfs/dbraw/zinc/32/12/13/534321213.db2.gz	KUJMHZHNFFJLOA-UWVGGRQHSA-N	1	1	269.257	-1.206	20	5		CABDMO
CC[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000191735751	527979561	/nfs/dbraw/zinc/97/95/61/527979561.db2.gz	HJVLPDGSXCWJTL-SECBINFHSA-N	1	1	271.277	-1.041	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604294	656028379	/nfs/dbraw/zinc/02/83/79/656028379.db2.gz	MEYILIZWXBLFDB-OUAUKWLOSA-N	1	1	286.288	-1.420	20	5		CABDMO
NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000996430095	656490222	/nfs/dbraw/zinc/49/02/22/656490222.db2.gz	ZQFFBTHVKJJGIN-RKDXNWHRSA-N	1	1	270.289	-1.283	20	5		CABDMO
CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048812118	782517426	/nfs/dbraw/zinc/51/74/26/782517426.db2.gz	AWJWIWQXQGHHGK-LMLFDSFASA-N	1	1	296.327	-1.212	20	5		CABDMO
CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1	ZINC001048812118	782517430	/nfs/dbraw/zinc/51/74/30/782517430.db2.gz	AWJWIWQXQGHHGK-LMLFDSFASA-N	1	1	296.327	-1.212	20	5		CABDMO
CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1	ZINC001048812118	782517438	/nfs/dbraw/zinc/51/74/38/782517438.db2.gz	AWJWIWQXQGHHGK-LMLFDSFASA-N	1	1	296.327	-1.212	20	5		CABDMO
NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1	ZINC001048814569	782518885	/nfs/dbraw/zinc/51/88/85/782518885.db2.gz	SQAOCMCQWOYCKI-UTINFBMNSA-N	1	1	282.300	-1.473	20	5		CABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C(N)=O	ZINC001133206525	776774571	/nfs/dbraw/zinc/77/45/71/776774571.db2.gz	UWTHZKPQZKIZPK-UHFFFAOYSA-N	1	1	270.249	-1.981	20	5		CABDMO
NS(=O)(=O)NC[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1	ZINC001167270105	775134457	/nfs/dbraw/zinc/13/44/57/775134457.db2.gz	BRFWUTILDVLEIG-MRVPVSSYSA-N	1	1	266.323	-1.232	20	5		CABDMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1	ZINC001167270105	775134459	/nfs/dbraw/zinc/13/44/59/775134459.db2.gz	BRFWUTILDVLEIG-MRVPVSSYSA-N	1	1	266.323	-1.232	20	5		CABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCC1	ZINC001126932236	775731099	/nfs/dbraw/zinc/73/10/99/775731099.db2.gz	NTHGRTYOLGNAIC-NXEZZACHSA-N	1	1	284.316	-1.020	20	5		CABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CC1	ZINC001126932412	775732207	/nfs/dbraw/zinc/73/22/07/775732207.db2.gz	WKBKBXDTQGHDPI-NXEZZACHSA-N	1	1	284.316	-1.116	20	5		CABDMO
NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936433	775733571	/nfs/dbraw/zinc/73/35/71/775733571.db2.gz	HLOLKXMFYMLBFG-PHDIDXHHSA-N	1	1	273.249	-2.448	20	5		CABDMO
O=C(NCC[NH2+]CCOCCO)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936211	775733873	/nfs/dbraw/zinc/73/38/73/775733873.db2.gz	ASLXYIGQCIEUCO-RKDXNWHRSA-N	1	1	261.278	-1.634	20	5		CABDMO
CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936958	775733889	/nfs/dbraw/zinc/73/38/89/775733889.db2.gz	YOYXXSOLCWNTCQ-RKDXNWHRSA-N	1	1	272.305	-1.116	20	5		CABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CC1	ZINC001126936577	775734217	/nfs/dbraw/zinc/73/42/17/775734217.db2.gz	MAWQXMSIBUSMLA-RKDXNWHRSA-N	1	1	270.289	-1.364	20	5		CABDMO
CS(=O)(=O)CC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936830	775734594	/nfs/dbraw/zinc/73/45/94/775734594.db2.gz	SXFAWGIJXQQISQ-HTQZYQBOSA-N	1	1	279.318	-1.598	20	5		CABDMO
O=C(NCC[NH2+]CCN1CCNC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936294	775734768	/nfs/dbraw/zinc/73/47/68/775734768.db2.gz	FMVUQRZBGFDZNQ-RKDXNWHRSA-N	1	1	285.304	-1.617	20	5		CABDMO
O=C(NCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1	ZINC001126938701	775736557	/nfs/dbraw/zinc/73/65/57/775736557.db2.gz	HLEGTEXBGSXGPT-NXEZZACHSA-N	1	1	284.316	-1.116	20	5		CABDMO
O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126938762	775736810	/nfs/dbraw/zinc/73/68/10/775736810.db2.gz	KDWCRMJSZAVVPA-NXEZZACHSA-N	1	1	284.316	-1.020	20	5		CABDMO
CS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126939375	775738367	/nfs/dbraw/zinc/73/83/67/775738367.db2.gz	VUQJMLQTUPRFAZ-RKDXNWHRSA-N	1	1	293.345	-1.208	20	5		CABDMO
O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CC1[N+](=O)[O-]	ZINC001126938543	775738484	/nfs/dbraw/zinc/73/84/84/775738484.db2.gz	DPXBEXFHECHQKS-RKDXNWHRSA-N	1	1	268.277	-1.351	20	5		CABDMO
CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126939394	775739037	/nfs/dbraw/zinc/73/90/37/775739037.db2.gz	WKJHMSCRRQWSON-HTQZYQBOSA-N	1	1	294.333	-2.093	20	5		CABDMO
O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126942731	775743686	/nfs/dbraw/zinc/74/36/86/775743686.db2.gz	FYGRQSPQOWKHNQ-RKDXNWHRSA-N	1	1	298.299	-1.494	20	5		CABDMO
NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001086083388	776499923	/nfs/dbraw/zinc/49/99/23/776499923.db2.gz	XKOFDXYRRRMVFP-BZNPZCIMSA-N	1	1	270.289	-1.379	20	5		CABDMO
NCc1nnnn1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001168921215	776518174	/nfs/dbraw/zinc/51/81/74/776518174.db2.gz	VYUAUXNKMOLDTE-UHFFFAOYSA-N	1	1	277.248	-1.494	20	5		CABDMO
[NH3+][C@@H]1NCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2NCN[C@@H]21	ZINC001169000713	776519910	/nfs/dbraw/zinc/51/99/10/776519910.db2.gz	AJVNPOZIFDTZGZ-LXUNUROVSA-N	1	1	270.337	-1.576	20	5		CABDMO
NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767278	776607428	/nfs/dbraw/zinc/60/74/28/776607428.db2.gz	KTFDFBRQFGRGCF-RNFRBKRXSA-N	1	1	287.276	-2.058	20	5		CABDMO
C[NH+](C)CCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001284940422	777963618	/nfs/dbraw/zinc/96/36/18/777963618.db2.gz	CUBNVBJOJVYGIK-NXEZZACHSA-N	1	1	284.316	-1.070	20	5		CABDMO
C[NH+](C)CCC(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001297047279	778104181	/nfs/dbraw/zinc/10/41/81/778104181.db2.gz	LQGKACQCTFXWIH-NXEZZACHSA-N	1	1	284.316	-1.070	20	5		CABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC001118270675	779558905	/nfs/dbraw/zinc/55/89/05/779558905.db2.gz	AKXMURDBGJNPRQ-SECBINFHSA-N	1	1	296.287	-1.536	20	5		CABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC001118270675	779558910	/nfs/dbraw/zinc/55/89/10/779558910.db2.gz	AKXMURDBGJNPRQ-SECBINFHSA-N	1	1	296.287	-1.536	20	5		CABDMO
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@]1(CO)COCC[NH2+]1	ZINC001151817114	779817609	/nfs/dbraw/zinc/81/76/09/779817609.db2.gz	KWUATDHDXWMXLH-LLVKDONJSA-N	1	1	299.287	-1.742	20	5		CABDMO
CS(=O)(=O)CC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157766856	779912593	/nfs/dbraw/zinc/91/25/93/779912593.db2.gz	AXRDSWXNPHUILJ-RKDXNWHRSA-N	1	1	293.345	-1.208	20	5		CABDMO
Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-]	ZINC001162434966	780031068	/nfs/dbraw/zinc/03/10/68/780031068.db2.gz	AWCKYPQXMPOFAT-FKTZTGRPSA-N	1	1	279.304	-1.205	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])ccn2)[C@H]2NCN[C@@H]21	ZINC001162434713	780031336	/nfs/dbraw/zinc/03/13/36/780031336.db2.gz	AFZHPRLXUQWRCL-OPRDCNLKSA-N	1	1	265.277	-1.513	20	5		CABDMO
Cc1ccnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162434968	780031705	/nfs/dbraw/zinc/03/17/05/780031705.db2.gz	AWCKYPQXMPOFAT-JEZHCXPESA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21	ZINC001162436364	780033451	/nfs/dbraw/zinc/03/34/51/780033451.db2.gz	KLSBBPHVTONXSV-QXEWZRGKSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21	ZINC001162436366	780033488	/nfs/dbraw/zinc/03/34/88/780033488.db2.gz	KLSBBPHVTONXSV-YWVKMMECSA-N	1	1	279.304	-1.205	20	5		CABDMO
COc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162437043	780035042	/nfs/dbraw/zinc/03/50/42/780035042.db2.gz	RNIOXIBVKBHVFY-GUBZILKMSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162437049	780036015	/nfs/dbraw/zinc/03/60/15/780036015.db2.gz	RNIOXIBVKBHVFY-KXUCPTDWSA-N	1	1	295.303	-1.505	20	5		CABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2F)[C@@H]2NCN[C@H]21	ZINC001162437636	780037445	/nfs/dbraw/zinc/03/74/45/780037445.db2.gz	CIKHRSVGGFVSDR-XKSSXDPKSA-N	1	1	283.267	-1.374	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cccc([N+](=O)[O-])n2)[C@H]2NCN[C@H]21	ZINC001162438431	780038715	/nfs/dbraw/zinc/03/87/15/780038715.db2.gz	YQXQSRAABODHOH-IVZWLZJFSA-N	1	1	265.277	-1.513	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)n1	ZINC001162438053	780039082	/nfs/dbraw/zinc/03/90/82/780039082.db2.gz	FMYMPPUCFOXRJS-OYNCUSHFSA-N	1	1	280.292	-1.810	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162438426	780039152	/nfs/dbraw/zinc/03/91/52/780039152.db2.gz	YPUYFPIIICROAZ-GARJFASQSA-N	1	1	279.304	-1.205	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cccc([N+](=O)[O-])n2)[C@H]2NCN[C@@H]21	ZINC001162438432	780039163	/nfs/dbraw/zinc/03/91/63/780039163.db2.gz	YQXQSRAABODHOH-OPRDCNLKSA-N	1	1	265.277	-1.513	20	5		CABDMO
COc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c([N+](=O)[O-])c1	ZINC001162438993	780040273	/nfs/dbraw/zinc/04/02/73/780040273.db2.gz	JMDVCNGJUDPXOO-WCABBAIRSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c([N+](=O)[O-])c1	ZINC001162438992	780040844	/nfs/dbraw/zinc/04/08/44/780040844.db2.gz	JMDVCNGJUDPXOO-QXEWZRGKSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1ncnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162439329	780041235	/nfs/dbraw/zinc/04/12/35/780041235.db2.gz	LCBKETUKUZTDHT-GEVIPFJHSA-N	1	1	296.291	-2.110	20	5		CABDMO
COc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162438798	780041289	/nfs/dbraw/zinc/04/12/89/780041289.db2.gz	HTMZDLIOFAEQAT-VWYCJHECSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c([N+](=O)[O-])c1	ZINC001162438991	780041398	/nfs/dbraw/zinc/04/13/98/780041398.db2.gz	JMDVCNGJUDPXOO-ATZCPNFKSA-N	1	1	295.303	-1.505	20	5		CABDMO
Nc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162440588	780044352	/nfs/dbraw/zinc/04/43/52/780044352.db2.gz	UBLCINJIBSRKIR-GUBZILKMSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162440589	780045034	/nfs/dbraw/zinc/04/50/34/780045034.db2.gz	UBLCINJIBSRKIR-KXUCPTDWSA-N	1	1	280.292	-1.931	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162446183	780049472	/nfs/dbraw/zinc/04/94/72/780049472.db2.gz	YKTJAKMARTUBAR-CIUDSAMLSA-N	1	1	280.292	-1.810	20	5		CABDMO
COc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)ncc1[N+](=O)[O-]	ZINC001166723652	780094711	/nfs/dbraw/zinc/09/47/11/780094711.db2.gz	HBWPLKGEUZWQHH-ZCFIWIBFSA-N	1	1	282.260	-1.343	20	5		CABDMO
CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001265843012	780761907	/nfs/dbraw/zinc/76/19/07/780761907.db2.gz	SPSSUBAZJLIUIF-RKDXNWHRSA-N	1	1	272.305	-1.164	20	5		CABDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001146376922	781483917	/nfs/dbraw/zinc/48/39/17/781483917.db2.gz	QZSYJUPFVUTEID-SECBINFHSA-N	1	1	297.319	-1.452	20	5		CABDMO
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[NH2+]1	ZINC001321070389	884469680	/nfs/dbraw/zinc/46/96/80/884469680.db2.gz	NYQZTOJSUUMWIH-ZETCQYMHSA-N	1	1	252.234	-1.352	20	5		CABDMO
NC(=O)[C@@]1(O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001321805733	884521264	/nfs/dbraw/zinc/52/12/64/884521264.db2.gz	DXEGLOUYBBNMFW-SNVBAGLBSA-N	1	1	269.261	-1.287	20	5		CABDMO
CNC(=O)C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322159064	884539937	/nfs/dbraw/zinc/53/99/37/884539937.db2.gz	NYQXLOTZSUFKHH-SECBINFHSA-N	1	1	271.277	-1.170	20	5		CABDMO
C[N@@H+](CCC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001322444091	884554744	/nfs/dbraw/zinc/55/47/44/884554744.db2.gz	ADDBPWCYZCCAEK-SECBINFHSA-N	1	1	271.277	-1.041	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c1	ZINC001324101617	884649960	/nfs/dbraw/zinc/64/99/60/884649960.db2.gz	BRGRKSVMXRRODE-GDPRMGEGSA-N	1	1	286.288	-1.420	20	5		CABDMO
NC(=O)[C@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452618	884671295	/nfs/dbraw/zinc/67/12/95/884671295.db2.gz	QQEVFSNHJUFHEH-LBPRGKRZSA-N	1	1	296.283	-1.321	20	5		CABDMO
NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1	ZINC001326821331	884838554	/nfs/dbraw/zinc/83/85/54/884838554.db2.gz	DHTJIVVEWBPFGU-HTQZYQBOSA-N	1	1	270.289	-1.235	20	5		CABDMO
NC(=O)[C@@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836878	884933552	/nfs/dbraw/zinc/93/35/52/884933552.db2.gz	YZGVABIJMGCXIB-SNVBAGLBSA-N	1	1	269.261	-1.287	20	5		CABDMO
NC(=O)[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1	ZINC001349771140	886146767	/nfs/dbraw/zinc/14/67/67/886146767.db2.gz	OVRUIQJEBGHQMC-GFCCVEGCSA-N	1	1	296.283	-1.010	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC001471867448	892377021	/nfs/dbraw/zinc/37/70/21/892377021.db2.gz	AVQVNPXCGTVJAA-UHFFFAOYSA-N	1	1	257.250	-1.028	20	5		CABDMO
CN(CC[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001481229330	892587320	/nfs/dbraw/zinc/58/73/20/892587320.db2.gz	NJGVWKHRRFLUCG-NXEZZACHSA-N	1	1	284.316	-1.068	20	5		CABDMO
CCN(CC[NH2+]CC(=O)NC)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497389851	893617362	/nfs/dbraw/zinc/61/73/62/893617362.db2.gz	BBUCJKZXUWIUOA-RKDXNWHRSA-N	1	1	272.305	-1.164	20	5		CABDMO
NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001497585488	893626877	/nfs/dbraw/zinc/62/68/77/893626877.db2.gz	WSZWJBGSATWMCL-LQKKCHKWSA-N	1	1	256.262	-1.601	20	5		CABDMO
CN1CC[NH2+]C[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000565656381	373021570	/nfs/dbraw/zinc/02/15/70/373021570.db2.gz	PPDOONUDGMUBFU-SSDOTTSWSA-N	1	1	268.277	-1.049	20	5		CABDMO
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH3+])n1	ZINC000599096115	373166544	/nfs/dbraw/zinc/16/65/44/373166544.db2.gz	KUTGLXUJZONGDF-UHFFFAOYSA-N	1	1	263.279	-1.045	20	5		CABDMO
C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O	ZINC000285419622	374113136	/nfs/dbraw/zinc/11/31/36/374113136.db2.gz	BTVHHCSHTDZGNC-GMTAPVOTSA-N	1	1	286.288	-1.156	20	5		CABDMO
C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000217847170	374142968	/nfs/dbraw/zinc/14/29/68/374142968.db2.gz	AFGPMHQDNNEOBH-UHFFFAOYSA-N	1	1	254.250	-1.040	20	5		CABDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000358051726	252156342	/nfs/dbraw/zinc/15/63/42/252156342.db2.gz	RNIVIZLHFNVBIN-LLVKDONJSA-N	1	1	283.288	-1.026	20	5		CABDMO
C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262194	782032243	/nfs/dbraw/zinc/03/22/43/782032243.db2.gz	BTVCZWIUCVPYBC-NWDGAFQWSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262194	782032250	/nfs/dbraw/zinc/03/22/50/782032250.db2.gz	BTVCZWIUCVPYBC-NWDGAFQWSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262194	782032262	/nfs/dbraw/zinc/03/22/62/782032262.db2.gz	BTVCZWIUCVPYBC-NWDGAFQWSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262194	782032268	/nfs/dbraw/zinc/03/22/68/782032268.db2.gz	BTVCZWIUCVPYBC-NWDGAFQWSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262195	782033543	/nfs/dbraw/zinc/03/35/43/782033543.db2.gz	BTVCZWIUCVPYBC-RYUDHWBXSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262195	782033553	/nfs/dbraw/zinc/03/35/53/782033553.db2.gz	BTVCZWIUCVPYBC-RYUDHWBXSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262195	782033561	/nfs/dbraw/zinc/03/35/61/782033561.db2.gz	BTVCZWIUCVPYBC-RYUDHWBXSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](CO)C1	ZINC001196262195	782033573	/nfs/dbraw/zinc/03/35/73/782033573.db2.gz	BTVCZWIUCVPYBC-RYUDHWBXSA-N	1	1	299.331	-1.240	20	5		CABDMO
CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001200461809	782096930	/nfs/dbraw/zinc/09/69/30/782096930.db2.gz	LEJGAJZQLQQGJV-NXEZZACHSA-N	1	1	284.316	-1.022	20	5		CABDMO
C[NH+](C)C[C@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000717338637	782137244	/nfs/dbraw/zinc/13/72/44/782137244.db2.gz	HDBQFRUIQUGMCV-GHMZBOCLSA-N	1	1	287.320	-1.336	20	5		CABDMO
C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CCO	ZINC000428531192	534308762	/nfs/dbraw/zinc/30/87/62/534308762.db2.gz	FGWQMYOHKNDMJA-SECBINFHSA-N	1	1	298.303	-1.289	20	5		CABDMO
C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CCO	ZINC000428531192	534308763	/nfs/dbraw/zinc/30/87/63/534308763.db2.gz	FGWQMYOHKNDMJA-SECBINFHSA-N	1	1	298.303	-1.289	20	5		CABDMO
NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1	ZINC000794950283	582165132	/nfs/dbraw/zinc/16/51/32/582165132.db2.gz	ZITVDIWKHBPERZ-UHFFFAOYSA-N	1	1	296.287	-1.003	20	5		CABDMO
CN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001267371523	775236563	/nfs/dbraw/zinc/23/65/63/775236563.db2.gz	LWNHTSJSUFDHIE-NXEZZACHSA-N	1	1	299.331	-1.275	20	5		CABDMO
CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936599	775733790	/nfs/dbraw/zinc/73/37/90/775733790.db2.gz	MJPLNNQTIWBCLZ-RKDXNWHRSA-N	1	1	272.305	-1.118	20	5		CABDMO
CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936292	775734745	/nfs/dbraw/zinc/73/47/45/775734745.db2.gz	FLLMMILTPWKBLX-RNFRBKRXSA-N	1	1	287.276	-2.187	20	5		CABDMO
O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126938557	775738660	/nfs/dbraw/zinc/73/86/60/775738660.db2.gz	FJIKQTIMUOVFIA-HTQZYQBOSA-N	1	1	299.287	-2.091	20	5		CABDMO
[NH3+][C@@H]1NCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2NCN[C@@H]21	ZINC001169000715	776519426	/nfs/dbraw/zinc/51/94/26/776519426.db2.gz	AJVNPOZIFDTZGZ-VPJKUYQRSA-N	1	1	270.337	-1.576	20	5		CABDMO
[NH3+][C@@H]1NCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H]2NCN[C@H]21	ZINC001169000712	776519442	/nfs/dbraw/zinc/51/94/42/776519442.db2.gz	AJVNPOZIFDTZGZ-HWUMTFDVSA-N	1	1	270.337	-1.576	20	5		CABDMO
O=C(C[NH+]1CCCC1)NCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001292723509	778046749	/nfs/dbraw/zinc/04/67/49/778046749.db2.gz	VXFAFDDTRFRSKN-NXEZZACHSA-N	1	1	284.316	-1.020	20	5		CABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CNC(N)=O	ZINC001123257436	779685075	/nfs/dbraw/zinc/68/50/75/779685075.db2.gz	HMFZGQDFCRQBGK-UHFFFAOYSA-N	1	1	299.291	-1.798	20	5		CABDMO
O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCC1	ZINC001157760336	779912005	/nfs/dbraw/zinc/91/20/05/779912005.db2.gz	CQBGZIQVVSYHLH-NXEZZACHSA-N	1	1	284.316	-1.020	20	5		CABDMO
CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157761617	779912561	/nfs/dbraw/zinc/91/25/61/779912561.db2.gz	UNMSXGCVCOTLLR-HTQZYQBOSA-N	1	1	258.278	-1.507	20	5		CABDMO
CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767697	779913433	/nfs/dbraw/zinc/91/34/33/779913433.db2.gz	RSTMCZSUTGJONI-RKDXNWHRSA-N	1	1	272.305	-1.116	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])ccn2)[C@@H]2NCN[C@H]21	ZINC001162434687	780032233	/nfs/dbraw/zinc/03/22/33/780032233.db2.gz	AFZHPRLXUQWRCL-AEJSXWLSSA-N	1	1	265.277	-1.513	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@@H]2NCN[C@@H]21	ZINC001162436835	780035472	/nfs/dbraw/zinc/03/54/72/780035472.db2.gz	PYQYFDFZXTVOFT-BBBLOLIVSA-N	1	1	281.276	-2.275	20	5		CABDMO
COc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162437054	780036163	/nfs/dbraw/zinc/03/61/63/780036163.db2.gz	RNIOXIBVKBHVFY-UTLUCORTSA-N	1	1	295.303	-1.505	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)n1	ZINC001162438048	780039032	/nfs/dbraw/zinc/03/90/32/780039032.db2.gz	FMYMPPUCFOXRJS-KHQFGBGNSA-N	1	1	280.292	-1.810	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21	ZINC001162439532	780042806	/nfs/dbraw/zinc/04/28/06/780042806.db2.gz	MFEBCWKKVAFIRZ-LPEHRKFASA-N	1	1	295.303	-1.966	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21	ZINC001162439530	780043679	/nfs/dbraw/zinc/04/36/79/780043679.db2.gz	MFEBCWKKVAFIRZ-KXUCPTDWSA-N	1	1	295.303	-1.966	20	5		CABDMO
Nc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162440591	780044555	/nfs/dbraw/zinc/04/45/55/780044555.db2.gz	UBLCINJIBSRKIR-UTLUCORTSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162441428	780046234	/nfs/dbraw/zinc/04/62/34/780046234.db2.gz	XSDMBDFCOXDPJM-FKTZTGRPSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162441433	780046820	/nfs/dbraw/zinc/04/68/20/780046820.db2.gz	XSDMBDFCOXDPJM-JEZHCXPESA-N	1	1	280.292	-1.931	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162446186	780049362	/nfs/dbraw/zinc/04/93/62/780049362.db2.gz	YKTJAKMARTUBAR-VGMNWLOBSA-N	1	1	280.292	-1.810	20	5		CABDMO
Nc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21	ZINC001162446120	780049595	/nfs/dbraw/zinc/04/95/95/780049595.db2.gz	GSGIDMFXBFPGRZ-KHQFGBGNSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21	ZINC001162446122	780050081	/nfs/dbraw/zinc/05/00/81/780050081.db2.gz	GSGIDMFXBFPGRZ-OYNCUSHFSA-N	1	1	280.292	-1.931	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162446188	780050124	/nfs/dbraw/zinc/05/01/24/780050124.db2.gz	YKTJAKMARTUBAR-XHNCKOQMSA-N	1	1	280.292	-1.810	20	5		CABDMO
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2N)CC[NH2+]1	ZINC001166724423	780093790	/nfs/dbraw/zinc/09/37/90/780093790.db2.gz	PXUJUSFWXZILGB-MRVPVSSYSA-N	1	1	266.261	-1.165	20	5		CABDMO
COc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ncc1[N+](=O)[O-]	ZINC001166723651	780093866	/nfs/dbraw/zinc/09/38/66/780093866.db2.gz	HBWPLKGEUZWQHH-LURJTMIESA-N	1	1	282.260	-1.343	20	5		CABDMO
NC(=O)[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CC[NH2+]1	ZINC001166724776	780093960	/nfs/dbraw/zinc/09/39/60/780093960.db2.gz	FMOVQGRDCMMNDO-SSDOTTSWSA-N	1	1	266.261	-1.165	20	5		CABDMO
NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2N)CC[NH2+]1	ZINC001166724424	780094326	/nfs/dbraw/zinc/09/43/26/780094326.db2.gz	PXUJUSFWXZILGB-QMMMGPOBSA-N	1	1	266.261	-1.165	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[NH2+][C@@H](C(N)=O)C1	ZINC001166724526	780095023	/nfs/dbraw/zinc/09/50/23/780095023.db2.gz	DCOYGBJBJQIWKO-MRVPVSSYSA-N	1	1	281.272	-1.200	20	5		CABDMO
COc1nc(C)c([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)n1	ZINC001166725510	780095587	/nfs/dbraw/zinc/09/55/87/780095587.db2.gz	NWPVAPDFKQEJOJ-ZETCQYMHSA-N	1	1	296.287	-1.035	20	5		CABDMO
NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)n2)CC[NH2+]1	ZINC001166725549	780095689	/nfs/dbraw/zinc/09/56/89/780095689.db2.gz	PBNGSMALIIGIGM-LURJTMIESA-N	1	1	266.261	-1.165	20	5		CABDMO
Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)ncc1[N+](=O)[O-]	ZINC001166725145	780096325	/nfs/dbraw/zinc/09/63/25/780096325.db2.gz	BXMYCTDLJKHXNV-SSDOTTSWSA-N	1	1	266.261	-1.043	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CC[NH2+][C@@H](C(N)=O)C2)n1	ZINC001166725563	780096361	/nfs/dbraw/zinc/09/63/61/780096361.db2.gz	PLQFEVZCHDEGJJ-SSDOTTSWSA-N	1	1	266.261	-1.043	20	5		CABDMO
C[N@H+]1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795430	780434589	/nfs/dbraw/zinc/43/45/89/780434589.db2.gz	AOUXSEJANZPMDG-MRVPVSSYSA-N	1	1	288.260	-1.201	20	5		CABDMO
C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712540	780594864	/nfs/dbraw/zinc/59/48/64/780594864.db2.gz	LORYHYWDRRQEMV-ZJUUUORDSA-N	1	1	283.288	-1.028	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCNC1=O	ZINC001253712536	780595119	/nfs/dbraw/zinc/59/51/19/780595119.db2.gz	LORYHYWDRRQEMV-UWVGGRQHSA-N	1	1	283.288	-1.028	20	5		CABDMO
CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001265476367	780750788	/nfs/dbraw/zinc/75/07/88/780750788.db2.gz	BNWNCORBMMEWIA-FNCVBFRFSA-N	1	1	270.289	-1.366	20	5		CABDMO
C[NH+]1CCN(C(=O)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1	ZINC001181497056	781694727	/nfs/dbraw/zinc/69/47/27/781694727.db2.gz	NMZDLTCFLTUUAS-UHFFFAOYSA-N	1	1	296.287	-1.178	20	5		CABDMO
C[NH2+]C[C@@H](O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326503881	884801362	/nfs/dbraw/zinc/80/13/62/884801362.db2.gz	WWNVHDVPAAIMRE-ZJUUUORDSA-N	1	1	273.293	-1.678	20	5		CABDMO
CC[N@@H+](CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001320328064	884414696	/nfs/dbraw/zinc/41/46/96/884414696.db2.gz	QTQWYAWZXRAGMU-UHFFFAOYSA-N	1	1	286.292	-1.383	20	5		CABDMO
NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[NH2+]1	ZINC001321070388	884467837	/nfs/dbraw/zinc/46/78/37/884467837.db2.gz	NYQZTOJSUUMWIH-SSDOTTSWSA-N	1	1	252.234	-1.352	20	5		CABDMO
NC(=O)[C@]1(O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC001321805732	884519608	/nfs/dbraw/zinc/51/96/08/884519608.db2.gz	DXEGLOUYBBNMFW-JTQLQIEISA-N	1	1	269.261	-1.287	20	5		CABDMO
NC(=O)[C@@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1	ZINC001324452614	884671115	/nfs/dbraw/zinc/67/11/15/884671115.db2.gz	QQEVFSNHJUFHEH-GFCCVEGCSA-N	1	1	296.283	-1.321	20	5		CABDMO
C[NH2+]C[C@H](O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC001326503879	884801876	/nfs/dbraw/zinc/80/18/76/884801876.db2.gz	WWNVHDVPAAIMRE-VHSXEESVSA-N	1	1	273.293	-1.678	20	5		CABDMO
O=C(NC1(C[NH2+]CCO)CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC001327635010	884912196	/nfs/dbraw/zinc/91/21/96/884912196.db2.gz	PLLNCWQHSIKDBI-NXEZZACHSA-N	1	1	287.316	-1.101	20	5		CABDMO
NC(=O)[C@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC001327836877	884932341	/nfs/dbraw/zinc/93/23/41/884932341.db2.gz	YZGVABIJMGCXIB-JTQLQIEISA-N	1	1	269.261	-1.287	20	5		CABDMO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC001346490557	886009311	/nfs/dbraw/zinc/00/93/11/886009311.db2.gz	DPLWVGOMLFDTTL-DTWKUNHWSA-N	1	1	296.287	-1.536	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC001455778918	892056892	/nfs/dbraw/zinc/05/68/92/892056892.db2.gz	GVCCEQOVOODJPE-UHFFFAOYSA-N	1	1	257.250	-1.028	20	5		CABDMO
C[N@H+](CCO)CCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC001455778918	892056907	/nfs/dbraw/zinc/05/69/07/892056907.db2.gz	GVCCEQOVOODJPE-UHFFFAOYSA-N	1	1	257.250	-1.028	20	5		CABDMO
C[N@@H+](CCO)CCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC001455778918	892056921	/nfs/dbraw/zinc/05/69/21/892056921.db2.gz	GVCCEQOVOODJPE-UHFFFAOYSA-N	1	1	257.250	-1.028	20	5		CABDMO
C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](CO)C1	ZINC001470600788	892321424	/nfs/dbraw/zinc/32/14/24/892321424.db2.gz	DQOQTUGZPZYAJC-MRVPVSSYSA-N	1	1	284.276	-1.679	20	5		CABDMO
C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](CO)C1	ZINC001470600788	892321443	/nfs/dbraw/zinc/32/14/43/892321443.db2.gz	DQOQTUGZPZYAJC-MRVPVSSYSA-N	1	1	284.276	-1.679	20	5		CABDMO
CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001479367990	892475428	/nfs/dbraw/zinc/47/54/28/892475428.db2.gz	VGOUHBFAPRWNRM-ZYUZMQFOSA-N	1	1	284.316	-1.118	20	5		CABDMO
O=C([C@@H]1CC1[N+](=O)[O-])N(CCO)CC[NH2+]CCO	ZINC001484482742	892868853	/nfs/dbraw/zinc/86/88/53/892868853.db2.gz	UIISVEWKUACXIQ-RKDXNWHRSA-N	1	1	261.278	-1.946	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COC[C@H]1O	ZINC000352789310	529961941	/nfs/dbraw/zinc/96/19/41/529961941.db2.gz	BTVHHCSHTDZGNC-GARJFASQSA-N	1	1	286.288	-1.156	20	5		CABDMO
C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@@H]1O	ZINC000352789308	529961841	/nfs/dbraw/zinc/96/18/41/529961841.db2.gz	BTVHHCSHTDZGNC-AXFHLTTASA-N	1	1	286.288	-1.156	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)CCCO)c1	ZINC000075720414	372922873	/nfs/dbraw/zinc/92/28/73/372922873.db2.gz	HZTVQMFHOCNHDP-NSHDSACASA-N	1	1	288.304	-1.171	20	5		CABDMO
C[NH+](C)C[C@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000590370206	373024730	/nfs/dbraw/zinc/02/47/30/373024730.db2.gz	VJWNEROCGUEREO-ZCFIWIBFSA-N	1	1	257.250	-1.030	20	5		CABDMO
Nc1nc(N)[nH+]c(NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000599062574	373166390	/nfs/dbraw/zinc/16/63/90/373166390.db2.gz	ZTJCHTSKSKQIMR-UHFFFAOYSA-N	1	1	265.237	-1.665	20	5		CABDMO
COCC[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1	ZINC000353844136	373520397	/nfs/dbraw/zinc/52/03/97/373520397.db2.gz	KHWMYPBJGUQBSR-UHFFFAOYSA-N	1	1	298.303	-1.023	20	5		CABDMO
O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000600530567	374136481	/nfs/dbraw/zinc/13/64/81/374136481.db2.gz	HZXADNDTKYBOIJ-SECBINFHSA-N	1	1	283.288	-1.026	20	5		CABDMO
O=C(Cn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CC[C@H](O)C1	ZINC000600807618	374136976	/nfs/dbraw/zinc/13/69/76/374136976.db2.gz	JELDDLTYJWMMII-JTQLQIEISA-N	1	1	283.288	-1.026	20	5		CABDMO
C[C@@H](O)C[N@@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926475	533656836	/nfs/dbraw/zinc/65/68/36/533656836.db2.gz	OOVLCPJFRZSXBK-KOLCDFICSA-N	1	1	288.304	-1.173	20	5		CABDMO
CN1CC[N@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000347325840	409735730	/nfs/dbraw/zinc/73/57/30/409735730.db2.gz	ZHKSBGWNKMWAOL-QMMMGPOBSA-N	1	1	281.320	-0.953	20	5		CABDMO
CN1CC[N@@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000347325840	409735735	/nfs/dbraw/zinc/73/57/35/409735735.db2.gz	ZHKSBGWNKMWAOL-QMMMGPOBSA-N	1	1	281.320	-0.953	20	5		CABDMO
CN1CC[N@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000347325835	409742382	/nfs/dbraw/zinc/74/23/82/409742382.db2.gz	ZHKSBGWNKMWAOL-MRVPVSSYSA-N	1	1	281.320	-0.953	20	5		CABDMO
CN1CC[N@@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000347325835	409742387	/nfs/dbraw/zinc/74/23/87/409742387.db2.gz	ZHKSBGWNKMWAOL-MRVPVSSYSA-N	1	1	281.320	-0.953	20	5		CABDMO
Nc1nc(NCC[N@H+]2CC[C@@H](O)C2)ncc1[N+](=O)[O-]	ZINC000599176741	409745985	/nfs/dbraw/zinc/74/59/85/409745985.db2.gz	VYEJBXOYTBCMSX-SSDOTTSWSA-N	1	1	268.277	-1.133	20	5		CABDMO
C[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926474	228166075	/nfs/dbraw/zinc/16/60/75/228166075.db2.gz	OOVLCPJFRZSXBK-GXSJLCMTSA-N	1	1	288.304	-1.173	20	5		CABDMO
O=C1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000173657499	230188481	/nfs/dbraw/zinc/18/84/81/230188481.db2.gz	SNIBXFDPAGKCKG-JTQLQIEISA-N	1	1	283.288	-1.026	20	5		CABDMO
O=C1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000173657493	230189222	/nfs/dbraw/zinc/18/92/22/230189222.db2.gz	SNIBXFDPAGKCKG-SNVBAGLBSA-N	1	1	283.288	-1.026	20	5		CABDMO
C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262193	782032057	/nfs/dbraw/zinc/03/20/57/782032057.db2.gz	BTVCZWIUCVPYBC-NEPJUHHUSA-N	1	1	299.331	-1.240	20	5		CABDMO
C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262193	782032066	/nfs/dbraw/zinc/03/20/66/782032066.db2.gz	BTVCZWIUCVPYBC-NEPJUHHUSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262193	782032076	/nfs/dbraw/zinc/03/20/76/782032076.db2.gz	BTVCZWIUCVPYBC-NEPJUHHUSA-N	1	1	299.331	-1.240	20	5		CABDMO
CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CO)C1	ZINC001196262193	782032085	/nfs/dbraw/zinc/03/20/85/782032085.db2.gz	BTVCZWIUCVPYBC-NEPJUHHUSA-N	1	1	299.331	-1.240	20	5		CABDMO
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H](O)[C@H](O)C1	ZINC000444714772	534320976	/nfs/dbraw/zinc/32/09/76/534320976.db2.gz	KUJMHZHNFFJLOA-NXEZZACHSA-N	1	1	269.257	-1.206	20	5		CABDMO
CC[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000191735732	527979886	/nfs/dbraw/zinc/97/98/86/527979886.db2.gz	HJVLPDGSXCWJTL-VIFPVBQESA-N	1	1	271.277	-1.041	20	5		CABDMO
O=C1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1	ZINC000743843972	582140967	/nfs/dbraw/zinc/14/09/67/582140967.db2.gz	IAEBFVQGVCMHKG-SNVBAGLBSA-N	1	1	283.288	-1.026	20	5		CABDMO
O=C1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1	ZINC000743843972	582140968	/nfs/dbraw/zinc/14/09/68/582140968.db2.gz	IAEBFVQGVCMHKG-SNVBAGLBSA-N	1	1	283.288	-1.026	20	5		CABDMO
C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1=O	ZINC000844763015	582217157	/nfs/dbraw/zinc/21/71/57/582217157.db2.gz	UJTAHYYHTCNDLT-NXEZZACHSA-N	1	1	284.316	-1.116	20	5		CABDMO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306505	582226324	/nfs/dbraw/zinc/22/63/24/582226324.db2.gz	FWLJJHYNOOEAID-SGIHWFKDSA-N	1	1	255.274	-1.071	20	5		CABDMO
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306505	582226325	/nfs/dbraw/zinc/22/63/25/582226325.db2.gz	FWLJJHYNOOEAID-SGIHWFKDSA-N	1	1	255.274	-1.071	20	5		CABDMO
O=C([C@@H]1CC1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000848306505	582226326	/nfs/dbraw/zinc/22/63/26/582226326.db2.gz	FWLJJHYNOOEAID-SGIHWFKDSA-N	1	1	255.274	-1.071	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604293	656028233	/nfs/dbraw/zinc/02/82/33/656028233.db2.gz	MEYILIZWXBLFDB-AXFHLTTASA-N	1	1	286.288	-1.420	20	5		CABDMO
CN(C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775852	656067857	/nfs/dbraw/zinc/06/78/57/656067857.db2.gz	OMLMHCYOMUUCOQ-GPTQDWHKSA-N	1	1	296.327	-1.214	20	5		CABDMO
NC(=O)C([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O	ZINC001254581519	780605224	/nfs/dbraw/zinc/60/52/24/780605224.db2.gz	LKMOXJOGIAWNDA-QMMMGPOBSA-N	1	1	278.268	-1.009	20	5		CABDMO
NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1	ZINC001167270106	775133975	/nfs/dbraw/zinc/13/39/75/775133975.db2.gz	BRFWUTILDVLEIG-QMMMGPOBSA-N	1	1	266.323	-1.232	20	5		CABDMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1	ZINC001167270106	775133982	/nfs/dbraw/zinc/13/39/82/775133982.db2.gz	BRFWUTILDVLEIG-QMMMGPOBSA-N	1	1	266.323	-1.232	20	5		CABDMO
CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936969	775734064	/nfs/dbraw/zinc/73/40/64/775734064.db2.gz	ZDWDKZZXBRLXEN-HTQZYQBOSA-N	1	1	258.278	-1.554	20	5		CABDMO
CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001126936957	775733773	/nfs/dbraw/zinc/73/37/73/775733773.db2.gz	YODVPVMHDXMTTL-HTQZYQBOSA-N	1	1	258.278	-1.507	20	5		CABDMO
O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCC1	ZINC001126943969	775744276	/nfs/dbraw/zinc/74/42/76/775744276.db2.gz	YALFNEPOENKQLM-RKDXNWHRSA-N	1	1	270.289	-1.410	20	5		CABDMO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC(N)=O	ZINC001125080413	776022100	/nfs/dbraw/zinc/02/21/00/776022100.db2.gz	RXIWQFLVQGLHNI-UHFFFAOYSA-N	1	1	284.276	-1.591	20	5		CABDMO
[NH3+][C@@H]1NCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H]2NCN[C@H]21	ZINC001169000714	776520302	/nfs/dbraw/zinc/52/03/02/776520302.db2.gz	AJVNPOZIFDTZGZ-OGBGREFGSA-N	1	1	270.337	-1.576	20	5		CABDMO
CN(CC[N@@H+](C)CCO)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001149205328	779774987	/nfs/dbraw/zinc/77/49/87/779774987.db2.gz	LGUMJTFFWBVWFC-UHFFFAOYSA-N	1	1	286.292	-1.431	20	5		CABDMO
O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157767818	779913302	/nfs/dbraw/zinc/91/33/02/779913302.db2.gz	VXQJCUOCMCGDBI-NXEZZACHSA-N	1	1	299.331	-1.227	20	5		CABDMO
NCc1nnnn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1	ZINC001158080094	779925533	/nfs/dbraw/zinc/92/55/33/779925533.db2.gz	FUIBNLPWHXBZQO-UHFFFAOYSA-N	1	1	277.248	-1.494	20	5		CABDMO
Cc1ccnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-]	ZINC001162434967	780032300	/nfs/dbraw/zinc/03/23/00/780032300.db2.gz	AWCKYPQXMPOFAT-HGNGGELXSA-N	1	1	279.304	-1.205	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H]2NCN[C@H]21	ZINC001162436836	780035709	/nfs/dbraw/zinc/03/57/09/780035709.db2.gz	PYQYFDFZXTVOFT-IVZWLZJFSA-N	1	1	281.276	-2.275	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cc([N+](=O)[O-])cc[n+]2[O-])[C@H]2NCN[C@@H]21	ZINC001162436837	780035895	/nfs/dbraw/zinc/03/58/95/780035895.db2.gz	PYQYFDFZXTVOFT-OPRDCNLKSA-N	1	1	281.276	-2.275	20	5		CABDMO
COc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162437051	780035988	/nfs/dbraw/zinc/03/59/88/780035988.db2.gz	RNIOXIBVKBHVFY-LPEHRKFASA-N	1	1	295.303	-1.505	20	5		CABDMO
[NH3+][C@@H]1NCN(c2ncc([N+](=O)[O-])cc2F)[C@H]2NCN[C@@H]21	ZINC001162437633	780036597	/nfs/dbraw/zinc/03/65/97/780036597.db2.gz	CIKHRSVGGFVSDR-NQMVMOMDSA-N	1	1	283.267	-1.374	20	5		CABDMO
[NH3+][C@@H]1NCN(c2cccc([N+](=O)[O-])n2)[C@@H]2NCN[C@@H]21	ZINC001162438430	780038499	/nfs/dbraw/zinc/03/84/99/780038499.db2.gz	YQXQSRAABODHOH-BBBLOLIVSA-N	1	1	265.277	-1.513	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)n1	ZINC001162438055	780038650	/nfs/dbraw/zinc/03/86/50/780038650.db2.gz	FMYMPPUCFOXRJS-WEDXCCLWSA-N	1	1	280.292	-1.810	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)n1	ZINC001162438051	780039111	/nfs/dbraw/zinc/03/91/11/780039111.db2.gz	FMYMPPUCFOXRJS-NRPADANISA-N	1	1	280.292	-1.810	20	5		CABDMO
Cc1nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ccc1[N+](=O)[O-]	ZINC001162438427	780039257	/nfs/dbraw/zinc/03/92/57/780039257.db2.gz	YPUYFPIIICROAZ-OUAUKWLOSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cnc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c([N+](=O)[O-])c1	ZINC001162437820	780039757	/nfs/dbraw/zinc/03/97/57/780039757.db2.gz	VWUBAXUJSSKCBD-QXEWZRGKSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1cnc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c([N+](=O)[O-])c1	ZINC001162437821	780039810	/nfs/dbraw/zinc/03/98/10/780039810.db2.gz	VWUBAXUJSSKCBD-WCABBAIRSA-N	1	1	279.304	-1.205	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21	ZINC001162439528	780040289	/nfs/dbraw/zinc/04/02/89/780040289.db2.gz	MFEBCWKKVAFIRZ-GUBZILKMSA-N	1	1	295.303	-1.966	20	5		CABDMO
COc1cc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162438797	780040791	/nfs/dbraw/zinc/04/07/91/780040791.db2.gz	HTMZDLIOFAEQAT-OUAUKWLOSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162438796	780041147	/nfs/dbraw/zinc/04/11/47/780041147.db2.gz	HTMZDLIOFAEQAT-GARJFASQSA-N	1	1	295.303	-1.505	20	5		CABDMO
COc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ncc1[N+](=O)[O-]	ZINC001162438795	780041499	/nfs/dbraw/zinc/04/14/99/780041499.db2.gz	HTMZDLIOFAEQAT-DCAQKATOSA-N	1	1	295.303	-1.505	20	5		CABDMO
Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21	ZINC001162439533	780042382	/nfs/dbraw/zinc/04/23/82/780042382.db2.gz	MFEBCWKKVAFIRZ-UTLUCORTSA-N	1	1	295.303	-1.966	20	5		CABDMO
Nc1cc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)ncc1[N+](=O)[O-]	ZINC001162440590	780045114	/nfs/dbraw/zinc/04/51/14/780045114.db2.gz	UBLCINJIBSRKIR-LPEHRKFASA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)ccc1[N+](=O)[O-]	ZINC001162441431	780046785	/nfs/dbraw/zinc/04/67/85/780046785.db2.gz	XSDMBDFCOXDPJM-HGNGGELXSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21	ZINC001162446123	780049819	/nfs/dbraw/zinc/04/98/19/780049819.db2.gz	GSGIDMFXBFPGRZ-WEDXCCLWSA-N	1	1	280.292	-1.931	20	5		CABDMO
Nc1cc([N+](=O)[O-])cnc1N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21	ZINC001162446121	780050470	/nfs/dbraw/zinc/05/04/70/780050470.db2.gz	GSGIDMFXBFPGRZ-NRPADANISA-N	1	1	280.292	-1.931	20	5		CABDMO
COc1ncnc(N2CC[NH2+][C@@H](C(N)=O)C2)c1[N+](=O)[O-]	ZINC001166724449	780093944	/nfs/dbraw/zinc/09/39/44/780093944.db2.gz	AGDBZDLIMOIXPI-ZCFIWIBFSA-N	1	1	282.260	-1.343	20	5		CABDMO
NC(=O)[C@H]1CN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]1	ZINC001166724642	780094008	/nfs/dbraw/zinc/09/40/08/780094008.db2.gz	WGHSZICAIXKARL-MRVPVSSYSA-N	1	1	267.245	-1.508	20	5		CABDMO
Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)ncc1[N+](=O)[O-]	ZINC001166725146	780095496	/nfs/dbraw/zinc/09/54/96/780095496.db2.gz	BXMYCTDLJKHXNV-ZETCQYMHSA-N	1	1	266.261	-1.043	20	5		CABDMO
Cc1ncc([N+](=O)[O-])c(N2CC[NH2+][C@H](C(N)=O)C2)n1	ZINC001166725564	780095903	/nfs/dbraw/zinc/09/59/03/780095903.db2.gz	PLQFEVZCHDEGJJ-ZETCQYMHSA-N	1	1	266.261	-1.043	20	5		CABDMO
NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001205224706	780105175	/nfs/dbraw/zinc/10/51/75/780105175.db2.gz	WYYGFOUBNSOCOC-NXEZZACHSA-N	1	1	284.316	-1.035	20	5		CABDMO
NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001277055639	780437639	/nfs/dbraw/zinc/43/76/39/780437639.db2.gz	SBLOAZDEJFYWDJ-RNFRBKRXSA-N	1	1	256.262	-1.625	20	5		CABDMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC001253346640	780591712	/nfs/dbraw/zinc/59/17/12/780591712.db2.gz	RRRATFIZDQICTB-BBBLOLIVSA-N	1	1	272.261	-1.810	20	5		CABDMO
O=C(N[C@H]1C[C@H]([NH2+]CCOCCO)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001265476866	780751587	/nfs/dbraw/zinc/75/15/87/780751587.db2.gz	SUVYQWLZWCQBBQ-GWOFURMSSA-N	1	1	287.316	-1.103	20	5		CABDMO