smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001022061524	884012832	/nfs/dbraw/zinc/01/28/32/884012832.db2.gz	MFBQXSPLSGSHOS-BZNPZCIMSA-N	0	3	295.303	-1.388	20	5		CABDHN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CNCCO1	ZINC001327961436	884944313	/nfs/dbraw/zinc/94/43/13/884944313.db2.gz	LYKVGFWPNFOUDF-ZETCQYMHSA-N	0	3	270.249	-1.709	20	5		CABDHN
CN(CCO)CCNC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001455783762	892056858	/nfs/dbraw/zinc/05/68/58/892056858.db2.gz	WGZANPWVVSKBEY-UHFFFAOYSA-N	0	3	271.277	-1.018	20	5		CABDHN
CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1COC[C@@H]1O	ZINC000352789309	529962000	/nfs/dbraw/zinc/96/20/00/529962000.db2.gz	BTVHHCSHTDZGNC-DCAQKATOSA-N	0	3	286.288	-1.156	20	5		CABDHN
CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](CN)C1	ZINC000577850938	372777372	/nfs/dbraw/zinc/77/73/72/372777372.db2.gz	UMEPCSCNPGPDLK-MRVPVSSYSA-N	0	3	283.292	-1.712	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000588867143	372881625	/nfs/dbraw/zinc/88/16/25/372881625.db2.gz	XRYOJYCYKTVOJF-MRVPVSSYSA-N	0	3	271.277	-1.170	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000588864412	372881872	/nfs/dbraw/zinc/88/18/72/372881872.db2.gz	HRRSMBCUAPDCGQ-SECBINFHSA-N	0	3	298.299	-1.205	20	5		CABDHN
O=C(COC1CNC1)NCCn1cc([N+](=O)[O-])cn1	ZINC000566191011	373026492	/nfs/dbraw/zinc/02/64/92/373026492.db2.gz	WYZGPCXZYLZFHA-UHFFFAOYSA-N	0	3	269.261	-1.104	20	5		CABDHN
CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H](CN)C1	ZINC000563152963	373019065	/nfs/dbraw/zinc/01/90/65/373019065.db2.gz	YEFQRAIFEGPDNT-VIFPVBQESA-N	0	3	282.304	-1.107	20	5		CABDHN
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CNCCO1	ZINC000565594216	373020377	/nfs/dbraw/zinc/02/03/77/373020377.db2.gz	RCKBJAXTYBQTKX-VIFPVBQESA-N	0	3	269.261	-1.104	20	5		CABDHN
NC(=O)[C@H](O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432323	373072061	/nfs/dbraw/zinc/07/20/61/373072061.db2.gz	SXKMCNIGMNJCJR-PSASIEDQSA-N	0	3	299.283	-1.230	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000597654550	373152138	/nfs/dbraw/zinc/15/21/38/373152138.db2.gz	TYWYHMWQHSULPX-ZCFIWIBFSA-N	0	3	257.250	-1.030	20	5		CABDHN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOC2(CNC2)C1	ZINC000596578746	373134560	/nfs/dbraw/zinc/13/45/60/373134560.db2.gz	DFROOUJFDLKYET-UHFFFAOYSA-N	0	3	281.272	-1.008	20	5		CABDHN
CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1COC[C@H]1O	ZINC000285419625	374113290	/nfs/dbraw/zinc/11/32/90/374113290.db2.gz	BTVHHCSHTDZGNC-HBNTYKKESA-N	0	3	286.288	-1.156	20	5		CABDHN
COCCN(C)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000344268420	533315236	/nfs/dbraw/zinc/31/52/36/533315236.db2.gz	YQSLVTJRUZELRA-UHFFFAOYSA-N	0	3	286.292	-1.119	20	5		CABDHN
C[C@@H](O)CN(CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926476	533657096	/nfs/dbraw/zinc/65/70/96/533657096.db2.gz	OOVLCPJFRZSXBK-MWLCHTKSSA-N	0	3	288.304	-1.173	20	5		CABDHN
CN(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862403	409456484	/nfs/dbraw/zinc/45/64/84/409456484.db2.gz	TZLHERVYARGYPX-WOPDTQHZSA-N	0	3	299.331	-1.241	20	5		CABDHN
CN1C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688524	336017588	/nfs/dbraw/zinc/01/75/88/336017588.db2.gz	LKKWANCHMRPRMQ-PSASIEDQSA-N	0	3	283.288	-1.028	20	5		CABDHN
CC(COC(=O)Cn1ccc(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000813106274	582172243	/nfs/dbraw/zinc/17/22/43/582172243.db2.gz	BWMHFNGSMKVQEJ-SSDOTTSWSA-N	0	3	271.229	-1.245	20	5		CABDHN
CC(COC(=O)c1cn(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000813107563	582172266	/nfs/dbraw/zinc/17/22/66/582172266.db2.gz	TWBUIWNLKWUSFU-ZCFIWIBFSA-N	0	3	271.229	-1.094	20	5		CABDHN
CC(COC(=O)c1cn(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000813107562	582172292	/nfs/dbraw/zinc/17/22/92/582172292.db2.gz	TWBUIWNLKWUSFU-LURJTMIESA-N	0	3	271.229	-1.094	20	5		CABDHN
CC(COC(=O)[C@H]1CCS(=O)(=O)N1)[N+](=O)[O-]	ZINC000845574779	582219598	/nfs/dbraw/zinc/21/95/98/582219598.db2.gz	DCLDWBFQJSSSFT-NTSWFWBYSA-N	0	3	252.248	-1.114	20	5		CABDHN
Cn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC001020139005	657290639	/nfs/dbraw/zinc/29/06/39/657290639.db2.gz	MFBQXSPLSGSHOS-FNCVBFRFSA-N	0	3	295.303	-1.388	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001118761966	779586379	/nfs/dbraw/zinc/58/63/79/779586379.db2.gz	ADDITOHWVYMWID-ZETCQYMHSA-N	0	3	271.277	-1.019	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001118761963	779586384	/nfs/dbraw/zinc/58/63/84/779586384.db2.gz	ADDITOHWVYMWID-SSDOTTSWSA-N	0	3	271.277	-1.019	20	5		CABDHN
Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)c1cn[nH]n1	ZINC001130742838	776670434	/nfs/dbraw/zinc/67/04/34/776670434.db2.gz	JLZLVJNLEAKPHG-UHFFFAOYSA-N	0	3	294.275	-1.034	20	5		CABDHN
CN(CCO)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC001303625819	778140834	/nfs/dbraw/zinc/14/08/34/778140834.db2.gz	IAFASYAOWGBVAN-UHFFFAOYSA-N	0	3	298.299	-1.203	20	5		CABDHN
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(N[C@@H]2CCOC2)C1	ZINC001304083527	778143281	/nfs/dbraw/zinc/14/32/81/778143281.db2.gz	FIDCGVBFJICAEM-MRVPVSSYSA-N	0	3	296.287	-1.224	20	5		CABDHN
CN(CCO)CCNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC001155244940	779871450	/nfs/dbraw/zinc/87/14/50/779871450.db2.gz	RDSXJWGYHMQHFN-UHFFFAOYSA-N	0	3	271.277	-1.168	20	5		CABDHN
Cn1nnnc1CNCCCNC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001157761694	779912131	/nfs/dbraw/zinc/91/21/31/779912131.db2.gz	YAFVOASHNVYSRV-HTQZYQBOSA-N	0	3	283.292	-1.529	20	5		CABDHN
CN1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795435	780435167	/nfs/dbraw/zinc/43/51/67/780435167.db2.gz	AOUXSEJANZPMDG-QMMMGPOBSA-N	0	3	288.260	-1.201	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001328702511	885015185	/nfs/dbraw/zinc/01/51/85/885015185.db2.gz	KNQIYHVETKLXAZ-ZETCQYMHSA-N	0	3	271.277	-1.019	20	5		CABDHN
NC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CNCCO2)c1=O	ZINC001327386989	884883543	/nfs/dbraw/zinc/88/35/43/884883543.db2.gz	OESMMCWEHOQHFD-QMMMGPOBSA-N	0	3	282.256	-1.156	20	5		CABDHN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CNCCO1	ZINC001327961433	884941801	/nfs/dbraw/zinc/94/18/01/884941801.db2.gz	LYKVGFWPNFOUDF-SSDOTTSWSA-N	0	3	270.249	-1.709	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)c1c([N+](=O)[O-])cnn1C	ZINC001328702498	885016573	/nfs/dbraw/zinc/01/65/73/885016573.db2.gz	KNQIYHVETKLXAZ-SSDOTTSWSA-N	0	3	271.277	-1.019	20	5		CABDHN
O=[N+]([O-])CCNCCN1CCS(=O)(=O)CC1	ZINC001338459243	885744877	/nfs/dbraw/zinc/74/48/77/885744877.db2.gz	AVSKRYDHOBYGKT-UHFFFAOYSA-N	0	3	251.308	-1.417	20	5		CABDHN
O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCNCC1	ZINC001346000610	885978080	/nfs/dbraw/zinc/97/80/80/885978080.db2.gz	BGSPFLNGXHVOTN-UHFFFAOYSA-N	0	3	282.260	-1.521	20	5		CABDHN
CN(CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001471867696	892375534	/nfs/dbraw/zinc/37/55/34/892375534.db2.gz	IBYUYCGXJRZECT-UHFFFAOYSA-N	0	3	272.265	-1.773	20	5		CABDHN
CO[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474293	892418460	/nfs/dbraw/zinc/41/84/60/892418460.db2.gz	DPJICLXFDRPESK-GMTAPVOTSA-N	0	3	286.288	-1.156	20	5		CABDHN
CO[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O	ZINC001473474294	892420211	/nfs/dbraw/zinc/42/02/11/892420211.db2.gz	DPJICLXFDRPESK-HBNTYKKESA-N	0	3	286.288	-1.156	20	5		CABDHN
CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(N)=O	ZINC001479771091	892482884	/nfs/dbraw/zinc/48/28/84/892482884.db2.gz	VCZMLLIIWBRMHK-HTQZYQBOSA-N	0	3	258.278	-1.425	20	5		CABDHN
C[C@H](O)CN(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926477	290081348	/nfs/dbraw/zinc/08/13/48/290081348.db2.gz	OOVLCPJFRZSXBK-ONGXEEELSA-N	0	3	288.304	-1.173	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000588864426	372880483	/nfs/dbraw/zinc/88/04/83/372880483.db2.gz	HRRSMBCUAPDCGQ-VIFPVBQESA-N	0	3	298.299	-1.205	20	5		CABDHN
CN1C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688532	372901545	/nfs/dbraw/zinc/90/15/45/372901545.db2.gz	LKKWANCHMRPRMQ-SCZZXKLOSA-N	0	3	283.288	-1.028	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000588867144	372882193	/nfs/dbraw/zinc/88/21/93/372882193.db2.gz	XRYOJYCYKTVOJF-QMMMGPOBSA-N	0	3	271.277	-1.170	20	5		CABDHN
O=[N+]([O-])c1cnn(C[C@H](O)CN(CCO)CCCO)c1	ZINC000075720413	372922933	/nfs/dbraw/zinc/92/29/33/372922933.db2.gz	HZTVQMFHOCNHDP-LLVKDONJSA-N	0	3	288.304	-1.171	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000590370191	373024472	/nfs/dbraw/zinc/02/44/72/373024472.db2.gz	VJWNEROCGUEREO-LURJTMIESA-N	0	3	257.250	-1.030	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000590370191	373024482	/nfs/dbraw/zinc/02/44/82/373024482.db2.gz	VJWNEROCGUEREO-LURJTMIESA-N	0	3	257.250	-1.030	20	5		CABDHN
NC(=O)[C@H](O)CNC[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432335	373071662	/nfs/dbraw/zinc/07/16/62/373071662.db2.gz	SXKMCNIGMNJCJR-WCBMZHEXSA-N	0	3	299.283	-1.230	20	5		CABDHN
CN(C)C[C@@H](CO)NC(=O)c1c[nH]nc1[N+](=O)[O-]	ZINC000597654549	373151764	/nfs/dbraw/zinc/15/17/64/373151764.db2.gz	TYWYHMWQHSULPX-LURJTMIESA-N	0	3	257.250	-1.030	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])n[nH]1	ZINC000597652969	373151843	/nfs/dbraw/zinc/15/18/43/373151843.db2.gz	GRKZSQMPIQPCRS-ZCFIWIBFSA-N	0	3	257.250	-1.030	20	5		CABDHN
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCOC2(CNC2)C1	ZINC000596580025	373134125	/nfs/dbraw/zinc/13/41/25/373134125.db2.gz	KJNPJFCSMYDPOH-UHFFFAOYSA-N	0	3	281.272	-1.008	20	5		CABDHN
CN1CC[C@](O)(CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1	ZINC000358051729	252155073	/nfs/dbraw/zinc/15/50/73/252155073.db2.gz	RNIVIZLHFNVBIN-NSHDSACASA-N	0	3	283.288	-1.026	20	5		CABDHN
CN1CC[C@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083724	252155085	/nfs/dbraw/zinc/15/50/85/252155085.db2.gz	VXDGDYHCHHZFLJ-NSHDSACASA-N	0	3	283.288	-1.026	20	5		CABDHN
CN1CC[C@@](O)(CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000358083723	252156281	/nfs/dbraw/zinc/15/62/81/252156281.db2.gz	VXDGDYHCHHZFLJ-LLVKDONJSA-N	0	3	283.288	-1.026	20	5		CABDHN
CN(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O	ZINC000519862398	409457050	/nfs/dbraw/zinc/45/70/50/409457050.db2.gz	TZLHERVYARGYPX-SRVKXCTJSA-N	0	3	299.331	-1.241	20	5		CABDHN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CNCCO1	ZINC000567674841	334750578	/nfs/dbraw/zinc/75/05/78/334750578.db2.gz	INNGFQAKAJTWTQ-JTQLQIEISA-N	0	3	296.283	-1.139	20	5		CABDHN
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CNCCO1	ZINC000567674986	334750672	/nfs/dbraw/zinc/75/06/72/334750672.db2.gz	URTYRYALKHSHNE-QMMMGPOBSA-N	0	3	269.261	-1.104	20	5		CABDHN
CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](CN)C1	ZINC000576518279	335213732	/nfs/dbraw/zinc/21/37/32/335213732.db2.gz	XKJWHXUAWHOWPO-VIFPVBQESA-N	0	3	282.304	-1.107	20	5		CABDHN
CCN1CCN(CC(=O)OCC(C)[N+](=O)[O-])C(=O)C1=O	ZINC000813112291	582172253	/nfs/dbraw/zinc/17/22/53/582172253.db2.gz	OYWFASNCXUWMQS-MRVPVSSYSA-N	0	3	287.272	-1.115	20	5		CABDHN
CC(COC(=O)Cn1ccc(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000813106275	582172275	/nfs/dbraw/zinc/17/22/75/582172275.db2.gz	BWMHFNGSMKVQEJ-ZETCQYMHSA-N	0	3	271.229	-1.245	20	5		CABDHN
CC(COC(=O)[C@@H]1CCS(=O)(=O)N1)[N+](=O)[O-]	ZINC000845574785	582219534	/nfs/dbraw/zinc/21/95/34/582219534.db2.gz	DCLDWBFQJSSSFT-RITPCOANSA-N	0	3	252.248	-1.114	20	5		CABDHN
CC(COC(=O)[C@@H]1CCS(=O)(=O)N1)[N+](=O)[O-]	ZINC000845574791	582219558	/nfs/dbraw/zinc/21/95/58/582219558.db2.gz	DCLDWBFQJSSSFT-WDSKDSINSA-N	0	3	252.248	-1.114	20	5		CABDHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@H](O)C[C@H](O)C2)c1	ZINC000610604294	656028385	/nfs/dbraw/zinc/02/83/85/656028385.db2.gz	MEYILIZWXBLFDB-OUAUKWLOSA-N	0	3	286.288	-1.420	20	5		CABDHN
CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001025775359	656068238	/nfs/dbraw/zinc/06/82/38/656068238.db2.gz	SAHWZSCMKAFJJS-DZEUPHNYSA-N	0	3	282.300	-1.556	20	5		CABDHN
CS(=O)(=O)N1CCN(CCNCC[N+](=O)[O-])CC1	ZINC000905068644	656189753	/nfs/dbraw/zinc/18/97/53/656189753.db2.gz	QETQRNLADZOUGL-UHFFFAOYSA-N	0	3	280.350	-1.570	20	5		CABDHN
O=C(NCC1CN(CCn2cncn2)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC001031662510	656381390	/nfs/dbraw/zinc/38/13/90/656381390.db2.gz	FNBNONSQLFQBPY-GHMZBOCLSA-N	0	3	294.315	-1.009	20	5		CABDHN
CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1	ZINC001072725426	782784940	/nfs/dbraw/zinc/78/49/40/782784940.db2.gz	MNVKWPBTVRGGBB-NXEZZACHSA-N	0	3	296.327	-1.068	20	5		CABDHN
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CC(COC(=O)[C@H]1CCS(=O)(=O)N1)[N+](=O)[O-]	ZINC000845574782	582219581	/nfs/dbraw/zinc/21/95/81/582219581.db2.gz	DCLDWBFQJSSSFT-PHDIDXHHSA-N	0	3	252.248	-1.114	20	5		CABDHN
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CN1CC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224795430	780434593	/nfs/dbraw/zinc/43/45/93/780434593.db2.gz	AOUXSEJANZPMDG-MRVPVSSYSA-N	0	3	288.260	-1.201	20	5		CABDHN
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CCN(CCO)CCNC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001320328064	884414701	/nfs/dbraw/zinc/41/47/01/884414701.db2.gz	QTQWYAWZXRAGMU-UHFFFAOYSA-N	0	3	286.292	-1.383	20	5		CABDHN
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CN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](CN)C1	ZINC000577850939	372777766	/nfs/dbraw/zinc/77/77/66/372777766.db2.gz	UMEPCSCNPGPDLK-QMMMGPOBSA-N	0	3	283.292	-1.712	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000588863740	372880775	/nfs/dbraw/zinc/88/07/75/372880775.db2.gz	FFDZOZJNKSMGCW-MRVPVSSYSA-N	0	3	271.277	-1.170	20	5		CABDHN
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CO[C@H](CN)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000566101478	373023559	/nfs/dbraw/zinc/02/35/59/373023559.db2.gz	SVRRCYPJIAPCMD-MRVPVSSYSA-N	0	3	257.250	-1.119	20	5		CABDHN
CN(C)C[C@H](CO)NC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000590370206	373024734	/nfs/dbraw/zinc/02/47/34/373024734.db2.gz	VJWNEROCGUEREO-ZCFIWIBFSA-N	0	3	257.250	-1.030	20	5		CABDHN
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CN(C)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1O	ZINC000590553334	373044556	/nfs/dbraw/zinc/04/45/56/373044556.db2.gz	AHCSBXSNXDAXJG-IUCAKERBSA-N	0	3	283.288	-1.075	20	5		CABDHN
NC(=O)[C@@H](O)CNC[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000592432334	373072292	/nfs/dbraw/zinc/07/22/92/373072292.db2.gz	SXKMCNIGMNJCJR-SCZZXKLOSA-N	0	3	299.283	-1.230	20	5		CABDHN
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Nc1nc(N)nc(NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000599062574	373166398	/nfs/dbraw/zinc/16/63/98/373166398.db2.gz	ZTJCHTSKSKQIMR-UHFFFAOYSA-N	0	3	265.237	-1.665	20	5		CABDHN
C[C@@H](O)CN(CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000351926475	533656840	/nfs/dbraw/zinc/65/68/40/533656840.db2.gz	OOVLCPJFRZSXBK-KOLCDFICSA-N	0	3	288.304	-1.173	20	5		CABDHN
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Nc1nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC000571178886	409744760	/nfs/dbraw/zinc/74/47/60/409744760.db2.gz	AUHGAXDQRLEMLM-RQJHMYQMSA-N	0	3	293.287	-1.285	20	5		CABDHN
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NC(=O)[C@@H](O)CNC[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000569003202	327028650	/nfs/dbraw/zinc/02/86/50/327028650.db2.gz	KZSJYVDNLXPJRA-ONGXEEELSA-N	0	3	299.283	-1.230	20	5		CABDHN
CN1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](CN)C1	ZINC000576518278	335213600	/nfs/dbraw/zinc/21/36/00/335213600.db2.gz	XKJWHXUAWHOWPO-SECBINFHSA-N	0	3	282.304	-1.107	20	5		CABDHN
CN1C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688538	336017552	/nfs/dbraw/zinc/01/75/52/336017552.db2.gz	LKKWANCHMRPRMQ-WPRPVWTQSA-N	0	3	283.288	-1.028	20	5		CABDHN
CN1C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000380688535	336017592	/nfs/dbraw/zinc/01/75/92/336017592.db2.gz	LKKWANCHMRPRMQ-WCBMZHEXSA-N	0	3	283.288	-1.028	20	5		CABDHN
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CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001025775852	656067858	/nfs/dbraw/zinc/06/78/58/656067858.db2.gz	OMLMHCYOMUUCOQ-GPTQDWHKSA-N	0	3	296.327	-1.214	20	5		CABDHN
NC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC001001398418	656621054	/nfs/dbraw/zinc/62/10/54/656621054.db2.gz	DOOJADFYWFCSEL-NXEZZACHSA-N	0	3	284.316	-1.035	20	5		CABDHN
NC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1	ZINC001072725574	782784215	/nfs/dbraw/zinc/78/42/15/782784215.db2.gz	OZIAAEGHGQGNQW-RKDXNWHRSA-N	0	3	282.300	-1.329	20	5		CABDHN
NCc1nc(=O)[n-]n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-]	ZINC001168761053	776248255	/nfs/dbraw/zinc/24/82/55/776248255.db2.gz	XDOBZNCNMVCFCG-UHFFFAOYSA-N	0	3	292.259	-1.183	20	5		CABDHN
CN(c1cc([N+](=O)[O-])cc[n+]1[O-])S(=O)(=O)CCN	ZINC001156231940	776518816	/nfs/dbraw/zinc/51/88/16/776518816.db2.gz	RFPZKUYMKOWZLT-UHFFFAOYSA-N	0	3	276.274	-1.047	20	5		CABDHN
O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)CN1CCCC1	ZINC001298751105	778125179	/nfs/dbraw/zinc/12/51/79/778125179.db2.gz	JQTYLJJDPZQVCA-SECBINFHSA-N	0	3	298.303	-1.241	20	5		CABDHN
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC1[N+](=O)[O-]	ZINC001303200363	778139384	/nfs/dbraw/zinc/13/93/84/778139384.db2.gz	KBQXXFOCXQZLSM-HRDYMLBCSA-N	0	3	281.272	-1.152	20	5		CABDHN
CN(CCO)CCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC001149205328	779774989	/nfs/dbraw/zinc/77/49/89/779774989.db2.gz	LGUMJTFFWBVWFC-UHFFFAOYSA-N	0	3	286.292	-1.431	20	5		CABDHN
CN(c1c[n+]([O-])ccc1[N+](=O)[O-])S(=O)(=O)CCN	ZINC001164296782	780072591	/nfs/dbraw/zinc/07/25/91/780072591.db2.gz	PMLNUVOLMUGVFN-UHFFFAOYSA-N	0	3	276.274	-1.047	20	5		CABDHN