smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000083357752	384470062	/nfs/dbraw/zinc/47/00/62/384470062.db2.gz	MFTURLVFLSJTPF-UHFFFAOYSA-N	0	3	231.049	1.816	40	5		BDBBHN
CN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004182325	173019461	/nfs/dbraw/zinc/01/94/61/173019461.db2.gz	XNADLAKKHYPORF-UHFFFAOYSA-N	0	3	235.287	1.737	40	5		BDBBHN
COc1cc([N+](=O)[O-])c(CN)cc1F	ZINC000169800308	175018262	/nfs/dbraw/zinc/01/82/62/175018262.db2.gz	ZIOWVFKAGURIHH-UHFFFAOYSA-N	0	3	200.169	1.201	40	5		BDBBHN
N=C(N)c1cc([N+](=O)[O-])ccc1C(F)(F)F	ZINC000199556059	181194340	/nfs/dbraw/zinc/19/43/40/181194340.db2.gz	MNNCHCBHSNOKDE-UHFFFAOYSA-N	0	3	233.149	1.898	40	5		BDBBHN
CCC([C@@H](OC(C)=O)C(C)C)[N+](=O)[O-]	ZINC000001571187	356964883	/nfs/dbraw/zinc/96/48/83/356964883.db2.gz	GNTZENDEEVYVID-IUCAKERBSA-N	0	3	203.238	1.629	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H](C2CCCC2)N1	ZINC000013992141	344409333	/nfs/dbraw/zinc/40/93/33/344409333.db2.gz	FBHUYEVWXVQWFZ-WPRPVWTQSA-N	0	3	212.249	1.101	40	5		BDBBHN
CCCCNCc1cc([N+](=O)[O-])nn1C	ZINC000408715777	384351593	/nfs/dbraw/zinc/35/15/93/384351593.db2.gz	DNDPTFRYHAGRST-UHFFFAOYSA-N	0	3	212.253	1.218	40	5		BDBBHN
CC(C)N(CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000049824782	384572029	/nfs/dbraw/zinc/57/20/29/384572029.db2.gz	KFXUZCATZBYRPD-UHFFFAOYSA-N	0	3	238.287	1.798	40	5		BDBBHN
CN(C)CC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000001602615	387070452	/nfs/dbraw/zinc/07/04/52/387070452.db2.gz	OLLHTTSCHCHUGQ-NSHDSACASA-N	0	3	224.260	1.580	40	5		BDBBHN
NCc1cccc([N+](=O)[O-])c1Br	ZINC000169800449	187303391	/nfs/dbraw/zinc/30/33/91/187303391.db2.gz	CCGZCZWPFBTHPQ-UHFFFAOYSA-N	0	3	231.049	1.816	40	5		BDBBHN
CCN(CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000049754204	383824758	/nfs/dbraw/zinc/82/47/58/383824758.db2.gz	QQGCZIYTLMWIJW-UHFFFAOYSA-N	0	3	224.260	1.409	40	5		BDBBHN
NCc1ccc([C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775755	384539495	/nfs/dbraw/zinc/53/94/95/384539495.db2.gz	SIBDYZUWBXCDJP-SECBINFHSA-N	0	3	249.270	1.047	40	5		BDBBHN
CC(C)(C)OC(=O)N1CCCC([N+](=O)[O-])C1	ZINC000072194213	385039129	/nfs/dbraw/zinc/03/91/29/385039129.db2.gz	GSYKFOZNUUEUBY-QMMMGPOBSA-N	0	3	230.264	1.663	40	5		BDBBHN
Cc1ccc(N2CCNC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000054375160	132364310	/nfs/dbraw/zinc/36/43/10/132364310.db2.gz	UKBPQRZRINYHSB-JTQLQIEISA-N	0	3	235.287	1.701	40	5		BDBBHN
O=[N+]([O-])c1cccc(CNC[C@@H]2CCCO2)c1	ZINC000002554121	182945711	/nfs/dbraw/zinc/94/57/11/182945711.db2.gz	XJMGDFZISCNQAG-LBPRGKRZSA-N	0	3	236.271	1.863	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1	ZINC000013992164	344409318	/nfs/dbraw/zinc/40/93/18/344409318.db2.gz	QFAZBZJWJDQADR-MWLCHTKSSA-N	0	3	238.218	1.422	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc(F)c2)N1	ZINC000013992155	344409383	/nfs/dbraw/zinc/40/93/83/344409383.db2.gz	QFAZBZJWJDQADR-ONGXEEELSA-N	0	3	238.218	1.422	40	5		BDBBHN
N=C(N)NSc1ccccc1[N+](=O)[O-]	ZINC000019418225	181191710	/nfs/dbraw/zinc/19/17/10/181191710.db2.gz	PTFHJSQWCNTBGA-UHFFFAOYSA-N	0	3	212.234	1.085	40	5		BDBBHN
CC(C)(CO)NCc1ccc([N+](=O)[O-])cc1	ZINC000006883156	361073443	/nfs/dbraw/zinc/07/34/43/361073443.db2.gz	OYDZAXPQPLOMJR-UHFFFAOYSA-N	0	3	224.260	1.455	40	5		BDBBHN
CSC1C(=O)Nc2ccc([N+](=O)[O-])cc21	ZINC000006425265	358094672	/nfs/dbraw/zinc/09/46/72/358094672.db2.gz	PJHFXDUFTXOAMP-QMMMGPOBSA-N	0	3	224.241	1.951	40	5		BDBBHN
O=[N+]([O-])c1cccc(CNC[C@H]2CCCO2)c1	ZINC000015416797	352748324	/nfs/dbraw/zinc/74/83/24/352748324.db2.gz	XJMGDFZISCNQAG-GFCCVEGCSA-N	0	3	236.271	1.863	40	5		BDBBHN
N=C(N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000034279252	181194230	/nfs/dbraw/zinc/19/42/30/181194230.db2.gz	KIBCKGRRIAGVRZ-UHFFFAOYSA-N	0	3	233.149	1.898	40	5		BDBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCCCC1	ZINC000225239652	181199621	/nfs/dbraw/zinc/19/96/21/181199621.db2.gz	PSRNRPSOJCHZBY-UHFFFAOYSA-N	0	3	249.274	1.822	40	5		BDBBHN
Cc1ccc(N2CCNCC2)cc1[N+](=O)[O-]	ZINC000008413121	132319022	/nfs/dbraw/zinc/31/90/22/132319022.db2.gz	MWSJNAFFWBQRPQ-UHFFFAOYSA-N	0	3	221.260	1.313	40	5		BDBBHN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCCCC1	ZINC000225242932	181200235	/nfs/dbraw/zinc/20/02/35/181200235.db2.gz	PTUYQHCVEUXFHD-UHFFFAOYSA-N	0	3	249.274	1.822	40	5		BDBBHN
CC(COC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000002042253	360459048	/nfs/dbraw/zinc/45/90/48/360459048.db2.gz	KSAIPBINPVHIPW-MRVPVSSYSA-N	0	3	209.201	1.509	40	5		BDBBHN
O=[N+]([O-])c1ncccc1NCCN1CCCC1	ZINC000005389866	385064762	/nfs/dbraw/zinc/06/47/62/385064762.db2.gz	ICTPDFMBWUIJCW-UHFFFAOYSA-N	0	3	236.275	1.498	40	5		BDBBHN
C[C@]1([N+](=O)[O-])C[Si](C)(C)CC1[N+](=O)[O-]	ZINC000195778914	388592712	/nfs/dbraw/zinc/59/27/12/388592712.db2.gz	BAGSVCQDRYIULM-RQJHMYQMSA-N	0	3	218.285	1.389	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H]([C@@H]2CC=CCC2)N1	ZINC000004377634	342858927	/nfs/dbraw/zinc/85/89/27/342858927.db2.gz	CGLPKGVDOFMFCQ-KKZNHRDASA-N	0	3	224.260	1.267	40	5		BDBBHN
C[C@@H](N)c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000095534643	388780114	/nfs/dbraw/zinc/78/01/14/388780114.db2.gz	HBRCLAKFLVTKRV-ZCFIWIBFSA-N	0	3	233.231	1.400	40	5		BDBBHN
C[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-]	ZINC000054374871	132364375	/nfs/dbraw/zinc/36/43/75/132364375.db2.gz	YUYFTFHUUJEVSV-SECBINFHSA-N	0	3	221.260	1.393	40	5		BDBBHN
O=[N+]([O-])c1ccc(CNC[C@H]2CCCO2)cc1	ZINC000015416801	352748432	/nfs/dbraw/zinc/74/84/32/352748432.db2.gz	JTIVCHBKMBKRNX-GFCCVEGCSA-N	0	3	236.271	1.863	40	5		BDBBHN
NCc1ccc([C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775771	384539812	/nfs/dbraw/zinc/53/98/12/384539812.db2.gz	SIBDYZUWBXCDJP-VIFPVBQESA-N	0	3	249.270	1.047	40	5		BDBBHN
CC(C)(C)OC(=O)N1CCCC([N+](=O)[O-])C1	ZINC000072194214	385038559	/nfs/dbraw/zinc/03/85/59/385038559.db2.gz	GSYKFOZNUUEUBY-MRVPVSSYSA-N	0	3	230.264	1.663	40	5		BDBBHN
C[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000061843973	384791061	/nfs/dbraw/zinc/79/10/61/384791061.db2.gz	OTZGDPWFEMEYPN-ZCFIWIBFSA-N	0	3	233.231	1.400	40	5		BDBBHN
C[C@H](O)CNCc1ccc([N+](=O)[O-])cc1	ZINC000008498024	372738917	/nfs/dbraw/zinc/73/89/17/372738917.db2.gz	MELZPPYLLIVSJH-QMMMGPOBSA-N	0	3	210.233	1.065	40	5		BDBBHN
CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1	ZINC000008337100	384199626	/nfs/dbraw/zinc/19/96/26/384199626.db2.gz	ULCNJCXXUJYDEK-SNVBAGLBSA-N	0	3	224.260	1.455	40	5		BDBBHN
C[C@H](N)c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000082751643	384710141	/nfs/dbraw/zinc/71/01/41/384710141.db2.gz	RSKKLOVGEVEZNZ-ZETCQYMHSA-N	0	3	247.258	1.323	40	5		BDBBHN
C[C@H](N)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000082751643	384710147	/nfs/dbraw/zinc/71/01/47/384710147.db2.gz	RSKKLOVGEVEZNZ-ZETCQYMHSA-N	0	3	247.258	1.323	40	5		BDBBHN
CN(C)CC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000006437084	387456106	/nfs/dbraw/zinc/45/61/06/387456106.db2.gz	OLLHTTSCHCHUGQ-LLVKDONJSA-N	0	3	224.260	1.580	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1	ZINC000013992158	344409338	/nfs/dbraw/zinc/40/93/38/344409338.db2.gz	QFAZBZJWJDQADR-GXSJLCMTSA-N	0	3	238.218	1.422	40	5		BDBBHN
O=[N+]([O-])c1ccc(CNC[C@@H]2CCCO2)cc1	ZINC000054978538	398282227	/nfs/dbraw/zinc/28/22/27/398282227.db2.gz	JTIVCHBKMBKRNX-LBPRGKRZSA-N	0	3	236.271	1.863	40	5		BDBBHN
CCC([C@@H](OC(C)=O)C(C)C)[N+](=O)[O-]	ZINC000001571188	356964812	/nfs/dbraw/zinc/96/48/12/356964812.db2.gz	GNTZENDEEVYVID-BDAKNGLRSA-N	0	3	203.238	1.629	40	5		BDBBHN
NCc1cc(F)c(Br)cc1[N+](=O)[O-]	ZINC000169800518	387868871	/nfs/dbraw/zinc/86/88/71/387868871.db2.gz	LPEQNLGIBXZGAH-UHFFFAOYSA-N	0	3	249.039	1.955	40	5		BDBBHN
CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1	ZINC000008326375	384199379	/nfs/dbraw/zinc/19/93/79/384199379.db2.gz	ULCNJCXXUJYDEK-JTQLQIEISA-N	0	3	224.260	1.455	40	5		BDBBHN
CC[C@H](C)NCc1cc([N+](=O)[O-])nn1C	ZINC000408717256	384351362	/nfs/dbraw/zinc/35/13/62/384351362.db2.gz	XNDAFXCNRVJBNG-ZETCQYMHSA-N	0	3	212.253	1.216	40	5		BDBBHN
CN1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000035635953	173128801	/nfs/dbraw/zinc/12/88/01/173128801.db2.gz	JCOQCIOOCBCHDU-LLVKDONJSA-N	0	3	222.244	1.678	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H]([C@@H]2CC=CCC2)N1	ZINC000004377632	342859114	/nfs/dbraw/zinc/85/91/14/342859114.db2.gz	CGLPKGVDOFMFCQ-FXPVBKGRSA-N	0	3	224.260	1.267	40	5		BDBBHN
Cc1ccc(N2CCNC[C@H]2C)c([N+](=O)[O-])c1	ZINC000054375162	132364316	/nfs/dbraw/zinc/36/43/16/132364316.db2.gz	UKBPQRZRINYHSB-SNVBAGLBSA-N	0	3	235.287	1.701	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H]([C@H]2CC=CCC2)N1	ZINC000000101241	344405153	/nfs/dbraw/zinc/40/51/53/344405153.db2.gz	CGLPKGVDOFMFCQ-NGZCFLSTSA-N	0	3	224.260	1.267	40	5		BDBBHN
O=[N+]([O-])c1ccc(Cl)cc1N1CCNCC1	ZINC000006756438	132318314	/nfs/dbraw/zinc/31/83/14/132318314.db2.gz	KNBXZNOINBXAQT-UHFFFAOYSA-N	0	3	241.678	1.658	40	5		BDBBHN
C[C@H]1CNCCN1c1ccccc1[N+](=O)[O-]	ZINC000054374873	132364370	/nfs/dbraw/zinc/36/43/70/132364370.db2.gz	YUYFTFHUUJEVSV-VIFPVBQESA-N	0	3	221.260	1.393	40	5		BDBBHN
CCN(CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000049754178	383823261	/nfs/dbraw/zinc/82/32/61/383823261.db2.gz	WNVOVCIAMGKZAS-UHFFFAOYSA-N	0	3	224.260	1.409	40	5		BDBBHN
C[C@H]1CNCCN1c1ccc([N+](=O)[O-])cc1	ZINC000054374829	132364212	/nfs/dbraw/zinc/36/42/12/132364212.db2.gz	MSOLFNXBYZHSKJ-VIFPVBQESA-N	0	3	221.260	1.393	40	5		BDBBHN
C[C@@]1([N+](=O)[O-])C[Si](C)(C)CC1[N+](=O)[O-]	ZINC000195778916	388592311	/nfs/dbraw/zinc/59/23/11/388592311.db2.gz	BAGSVCQDRYIULM-RNFRBKRXSA-N	0	3	218.285	1.389	40	5		BDBBHN
C[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1	ZINC000008535091	175981693	/nfs/dbraw/zinc/98/16/93/175981693.db2.gz	MELZPPYLLIVSJH-MRVPVSSYSA-N	0	3	210.233	1.065	40	5		BDBBHN
CCC([C@H](OC(C)=O)C(C)C)[N+](=O)[O-]	ZINC000001571186	356964917	/nfs/dbraw/zinc/96/49/17/356964917.db2.gz	GNTZENDEEVYVID-RKDXNWHRSA-N	0	3	203.238	1.629	40	5		BDBBHN
C[C@]1([N+](=O)[O-])C[Si](C)(C)CC1[N+](=O)[O-]	ZINC000195778912	388592922	/nfs/dbraw/zinc/59/29/22/388592922.db2.gz	BAGSVCQDRYIULM-BQBZGAKWSA-N	0	3	218.285	1.389	40	5		BDBBHN
CC(C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005274101	487946339	/nfs/dbraw/zinc/94/63/39/487946339.db2.gz	IFIZCLBWDPSXDM-SNVBAGLBSA-N	0	3	237.259	1.517	40	5		BDBBHN
CCC([C@H](OC(C)=O)C(C)C)[N+](=O)[O-]	ZINC000001571185	170952941	/nfs/dbraw/zinc/95/29/41/170952941.db2.gz	GNTZENDEEVYVID-DTWKUNHWSA-N	0	3	203.238	1.629	40	5		BDBBHN
C[C@@]1([N+](=O)[O-])C[Si](C)(C)CC1[N+](=O)[O-]	ZINC000195778913	388592579	/nfs/dbraw/zinc/59/25/79/388592579.db2.gz	BAGSVCQDRYIULM-NKWVEPMBSA-N	0	3	218.285	1.389	40	5		BDBBHN
Cc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000006390527	132318359	/nfs/dbraw/zinc/31/83/59/132318359.db2.gz	KPJKQLUMKYBKCR-UHFFFAOYSA-N	0	3	221.260	1.313	40	5		BDBBHN
NCc1ccc([N+](=O)[O-])c(Br)c1	ZINC000199713082	398204395	/nfs/dbraw/zinc/20/43/95/398204395.db2.gz	CWOLHJQUPKNBGH-UHFFFAOYSA-N	0	3	231.049	1.816	40	5		BDBBHN
NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000079420874	181348629	/nfs/dbraw/zinc/34/86/29/181348629.db2.gz	PSKLVXRJYBIKFM-UHFFFAOYSA-N	0	3	249.270	1.045	40	5		BDBBHN
CN(C)CCNc1nc(Cl)ccc1[N+](=O)[O-]	ZINC000036925899	388023261	/nfs/dbraw/zinc/02/32/61/388023261.db2.gz	GTMZPOCPNWMGMP-UHFFFAOYSA-N	0	3	244.682	1.617	40	5		BDBBHN
CN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2)C1	ZINC000035635951	173156400	/nfs/dbraw/zinc/15/64/00/173156400.db2.gz	JCOQCIOOCBCHDU-NSHDSACASA-N	0	3	222.244	1.678	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc(F)c2)N1	ZINC000013992161	344409458	/nfs/dbraw/zinc/40/94/58/344409458.db2.gz	QFAZBZJWJDQADR-KOLCDFICSA-N	0	3	238.218	1.422	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@H](C2CCCC2)N1	ZINC000013992138	344409489	/nfs/dbraw/zinc/40/94/89/344409489.db2.gz	FBHUYEVWXVQWFZ-SCZZXKLOSA-N	0	3	212.249	1.101	40	5		BDBBHN
O=[N+]([O-])c1cc2c(cc1Cl)CNCC2	ZINC000097062498	182925946	/nfs/dbraw/zinc/92/59/46/182925946.db2.gz	KFCNHVMLOCIZKK-UHFFFAOYSA-N	0	3	212.636	1.894	40	5		BDBBHN
C[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000061843972	384790821	/nfs/dbraw/zinc/79/08/21/384790821.db2.gz	OTZGDPWFEMEYPN-LURJTMIESA-N	0	3	233.231	1.400	40	5		BDBBHN
CSC1C(=O)Nc2ccc([N+](=O)[O-])cc21	ZINC000104202131	384809417	/nfs/dbraw/zinc/80/94/17/384809417.db2.gz	PJHFXDUFTXOAMP-MRVPVSSYSA-N	0	3	224.241	1.951	40	5		BDBBHN
COCCNCc1ccc([N+](=O)[O-])cc1	ZINC000058055269	174336076	/nfs/dbraw/zinc/33/60/76/174336076.db2.gz	DWZMFDMKLLFLTG-UHFFFAOYSA-N	0	3	210.233	1.331	40	5		BDBBHN
O=[N+]([O-])c1cccnc1N1CCN2CCC[C@H]2C1	ZINC000247342508	487829833	/nfs/dbraw/zinc/82/98/33/487829833.db2.gz	SSVYWQCORLQPLT-JTQLQIEISA-N	0	3	248.286	1.274	40	5		BDBBHN
CC(C)N(CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000049802013	383823076	/nfs/dbraw/zinc/82/30/76/383823076.db2.gz	GKXKMVCWMFZEPU-UHFFFAOYSA-N	0	3	238.287	1.798	40	5		BDBBHN
O=[N+]([O-])c1cccnc1N1CCN2CCC[C@@H]2C1	ZINC000024659581	132267026	/nfs/dbraw/zinc/26/70/26/132267026.db2.gz	SSVYWQCORLQPLT-SNVBAGLBSA-N	0	3	248.286	1.274	40	5		BDBBHN
CN(C)CCNCc1ccc([N+](=O)[O-])cc1	ZINC000020056958	521787882	/nfs/dbraw/zinc/78/78/82/521787882.db2.gz	YOEVEYQQUXHSQY-UHFFFAOYSA-N	0	3	223.276	1.246	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H](C2CCCC2)N1	ZINC000013992132	344409451	/nfs/dbraw/zinc/40/94/51/344409451.db2.gz	FBHUYEVWXVQWFZ-PSASIEDQSA-N	0	3	212.249	1.101	40	5		BDBBHN
O=C(c1cccc([N+](=O)[O-])c1)N1CCCNCC1	ZINC000019262342	182674055	/nfs/dbraw/zinc/67/40/55/182674055.db2.gz	IEYKWMKTCHCVEQ-UHFFFAOYSA-N	0	3	249.270	1.030	40	5		BDBBHN
O=[N+]([O-])c1c(F)cccc1N1CCNCC1	ZINC000037418900	132344574	/nfs/dbraw/zinc/34/45/74/132344574.db2.gz	CBGNOUSLRMOZOU-UHFFFAOYSA-N	0	3	225.223	1.144	40	5		BDBBHN
CC(COC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000001733905	357440753	/nfs/dbraw/zinc/44/07/53/357440753.db2.gz	KSAIPBINPVHIPW-QMMMGPOBSA-N	0	3	209.201	1.509	40	5		BDBBHN
C[C@@H](N)c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000082751644	384562845	/nfs/dbraw/zinc/56/28/45/384562845.db2.gz	RSKKLOVGEVEZNZ-SSDOTTSWSA-N	0	3	247.258	1.323	40	5		BDBBHN
C[C@@H](N)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000082751644	384562853	/nfs/dbraw/zinc/56/28/53/384562853.db2.gz	RSKKLOVGEVEZNZ-SSDOTTSWSA-N	0	3	247.258	1.323	40	5		BDBBHN
CN(C)CCNc1nc(Cl)ncc1[N+](=O)[O-]	ZINC000096311473	384881212	/nfs/dbraw/zinc/88/12/12/384881212.db2.gz	SFJRLQWBEZNSIS-UHFFFAOYSA-N	0	3	245.670	1.012	40	5		BDBBHN
CC(C)(C)OC(=O)N1CCC([N+](=O)[O-])C1	ZINC000075824219	388355250	/nfs/dbraw/zinc/35/52/50/388355250.db2.gz	QDLAHUFDHRJWOE-SSDOTTSWSA-N	0	3	216.237	1.273	40	5		BDBBHN
C[C@H](N)c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	ZINC000095534642	388778750	/nfs/dbraw/zinc/77/87/50/388778750.db2.gz	HBRCLAKFLVTKRV-LURJTMIESA-N	0	3	233.231	1.400	40	5		BDBBHN
COc1cc([N+](=O)[O-])cc(CN)c1OC(F)F	ZINC000078406333	175017980	/nfs/dbraw/zinc/01/79/80/175017980.db2.gz	BGGGAYKKTGYDAA-UHFFFAOYSA-N	0	3	248.185	1.664	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H](C2CCCC2)N1	ZINC000013992135	344409480	/nfs/dbraw/zinc/40/94/80/344409480.db2.gz	FBHUYEVWXVQWFZ-WCBMZHEXSA-N	0	3	212.249	1.101	40	5		BDBBHN
CC(C)(C)OC(=O)N1CCC([N+](=O)[O-])C1	ZINC000075824218	166655086	/nfs/dbraw/zinc/65/50/86/166655086.db2.gz	QDLAHUFDHRJWOE-ZETCQYMHSA-N	0	3	216.237	1.273	40	5		BDBBHN
CC(C)(CO)NCc1cccc([N+](=O)[O-])c1	ZINC000006883174	387781646	/nfs/dbraw/zinc/78/16/46/387781646.db2.gz	ZBBFFPFOROZLSI-UHFFFAOYSA-N	0	3	224.260	1.455	40	5		BDBBHN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCNCC1	ZINC000022165769	343912862	/nfs/dbraw/zinc/91/28/62/343912862.db2.gz	NUUMHTSFHGEGAZ-UHFFFAOYSA-N	0	3	249.270	1.030	40	5		BDBBHN
NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000079420880	181347582	/nfs/dbraw/zinc/34/75/82/181347582.db2.gz	ISLUPORRTWWKSN-UHFFFAOYSA-N	0	3	249.270	1.045	40	5		BDBBHN
O=C1CCC([N+](=O)[O-])[C@@H]([C@H]2CC=CCC2)N1	ZINC000004377633	182748234	/nfs/dbraw/zinc/74/82/34/182748234.db2.gz	CGLPKGVDOFMFCQ-IQJOONFLSA-N	0	3	224.260	1.267	40	5		BDBBHN
CC[C@@H](C)NCc1cc([N+](=O)[O-])nn1C	ZINC000408717255	384353170	/nfs/dbraw/zinc/35/31/70/384353170.db2.gz	XNDAFXCNRVJBNG-SSDOTTSWSA-N	0	3	212.253	1.216	40	5		BDBBHN
CN(C)CCNCc1cccc([N+](=O)[O-])c1	ZINC000020056959	388752689	/nfs/dbraw/zinc/75/26/89/388752689.db2.gz	QAHRWCIPSQYHBY-UHFFFAOYSA-N	0	3	223.276	1.246	40	5		BDBBHN
C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1	ZINC000054374828	132364176	/nfs/dbraw/zinc/36/41/76/132364176.db2.gz	MSOLFNXBYZHSKJ-SECBINFHSA-N	0	3	221.260	1.393	40	5		BDBBHN