smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2CCC[C@H]2C1	ZINC000195450657	395827770	/nfs/dbraw/zinc/82/77/70/395827770.db2.gz	UZNSBJXSZBRXAH-LBPRGKRZSA-N	0	3	307.354	0.796	10	5		DCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)n1	ZINC000590456409	396784822	/nfs/dbraw/zinc/78/48/22/396784822.db2.gz	NWRJXJNWSYAUAW-CQSZACIVSA-N	0	3	307.354	0.979	10	5		DCBEHN
O=C(CCN1CCNC(=O)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000065955328	158034804	/nfs/dbraw/zinc/03/48/04/158034804.db2.gz	ZNYJXXKHHZKIQB-UHFFFAOYSA-N	0	3	306.322	0.745	10	5		DCBEHN
C[C@@H]1CN(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CCO1	ZINC000176237175	416122067	/nfs/dbraw/zinc/12/20/67/416122067.db2.gz	PHLWQPIBCSDAKX-CYBMUJFWSA-N	0	3	323.397	0.976	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1	ZINC000183555084	416245632	/nfs/dbraw/zinc/24/56/32/416245632.db2.gz	AVJUVWWYLZHVSD-JTQLQIEISA-N	0	3	309.326	0.784	10	5		DCBEHN
CCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000195447375	395827340	/nfs/dbraw/zinc/82/73/40/395827340.db2.gz	OTKOMVPGCQUOEB-LLVKDONJSA-N	0	3	308.338	0.357	10	5		DCBEHN
CN1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C[C@@H]2C1	ZINC000192919779	396440357	/nfs/dbraw/zinc/44/03/57/396440357.db2.gz	WBOGITXBUSJHFP-DTORHVGOSA-N	0	3	317.392	0.838	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2CN2CCOCC2)c1	ZINC000174857570	416088099	/nfs/dbraw/zinc/08/80/99/416088099.db2.gz	OPMLSTPPLCSGEO-CQSZACIVSA-N	0	3	323.397	0.978	10	5		DCBEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180565777	416199785	/nfs/dbraw/zinc/19/97/85/416199785.db2.gz	JXLMUNXLQBZKKQ-NXEZZACHSA-N	0	3	305.338	0.881	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CN4CCC[C@@H]4CO3)nn21	ZINC000373673087	416962282	/nfs/dbraw/zinc/96/22/82/416962282.db2.gz	LCIFRWWGNUIJRX-GHMZBOCLSA-N	0	3	318.337	0.913	10	5		DCBEHN
Nc1c(C(=O)NC[C@@H](O)CN2CCCCC2)cccc1[N+](=O)[O-]	ZINC000160060316	527426825	/nfs/dbraw/zinc/42/68/25/527426825.db2.gz	SKMMOOKXCRRNPL-LLVKDONJSA-N	0	3	322.365	0.754	10	5		DCBEHN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C	ZINC000045164786	395761698	/nfs/dbraw/zinc/76/16/98/395761698.db2.gz	FLFBJCMLKKCCHG-JTQLQIEISA-N	0	3	308.338	0.391	10	5		DCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2CCC[C@H]2C1	ZINC000177687725	396181058	/nfs/dbraw/zinc/18/10/58/396181058.db2.gz	PEJXGYFUBHOFTB-ZDUSSCGKSA-N	0	3	318.333	0.840	10	5		DCBEHN
Cc1nn(CC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-]	ZINC000571115570	333664418	/nfs/dbraw/zinc/66/44/18/333664418.db2.gz	FCAOHPMCMNDYIQ-UHFFFAOYSA-N	0	3	307.354	0.843	10	5		DCBEHN
CC[C@H](CO)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000159855074	291236991	/nfs/dbraw/zinc/23/69/91/291236991.db2.gz	JHGWVCVDTJDNHB-CYBMUJFWSA-N	0	3	324.381	0.145	10	5		DCBEHN
CCN1CCC[C@@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000151728045	395991139	/nfs/dbraw/zinc/99/11/39/395991139.db2.gz	GXAREAWKRHXKMW-GFCCVEGCSA-N	0	3	324.385	0.917	10	5		DCBEHN
COc1c(F)cc(S(=O)(=O)[N-]CCC[NH3+])cc1[N+](=O)[O-]	ZINC000193230230	396446882	/nfs/dbraw/zinc/44/68/82/396446882.db2.gz	QUHIFKKGFNRQRZ-UHFFFAOYSA-N	0	3	307.303	0.370	10	5		DCBEHN
O=C(CCn1cc([N+](=O)[O-])cn1)N1CCCN(C2CC2)CC1	ZINC000061604038	158028830	/nfs/dbraw/zinc/02/88/30/158028830.db2.gz	YYQZIFHLVLYCNP-UHFFFAOYSA-N	0	3	307.354	0.878	10	5		DCBEHN
C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C	ZINC000131812264	287002053	/nfs/dbraw/zinc/00/20/53/287002053.db2.gz	XSZBMBYTCPHEBN-QWHCGFSZSA-N	0	3	324.381	0.143	10	5		DCBEHN
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174849446	416088401	/nfs/dbraw/zinc/08/84/01/416088401.db2.gz	VXSAFVVMHWPKMH-CYBMUJFWSA-N	0	3	311.386	0.834	10	5		DCBEHN
C[C@H]1C[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C	ZINC000161730434	534095588	/nfs/dbraw/zinc/09/55/88/534095588.db2.gz	SLDSQCYQNOQQNG-RYUDHWBXSA-N	0	3	324.385	0.915	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(CCN(C)C)CC1	ZINC000055197948	395913817	/nfs/dbraw/zinc/91/38/17/395913817.db2.gz	QKYZCULTHQLUQK-UHFFFAOYSA-N	0	3	321.381	0.618	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000155374555	396050575	/nfs/dbraw/zinc/05/05/75/396050575.db2.gz	FYKDYSFUBOORDP-CMPLNLGQSA-N	0	3	309.370	0.945	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCN(C2CC2)CC1	ZINC000604476438	397641107	/nfs/dbraw/zinc/64/11/07/397641107.db2.gz	PSQNIQZHAMGZTC-UHFFFAOYSA-N	0	3	307.354	0.843	10	5		DCBEHN
CC(C)(C(=O)N1CCN2CCC[C@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408088894	160033511	/nfs/dbraw/zinc/03/35/11/160033511.db2.gz	HMKZTOCPYJTDDG-NSHDSACASA-N	0	3	307.354	0.833	10	5		DCBEHN
NC(=O)c1ccc(NC[C@H](O)CN2CCCCC2)c([N+](=O)[O-])c1	ZINC000193949928	416320532	/nfs/dbraw/zinc/32/05/32/416320532.db2.gz	KKEFSBZTHWTMRR-LBPRGKRZSA-N	0	3	322.365	0.952	10	5		DCBEHN
Cc1nn(CCC(=O)N2CC[C@H](N(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000170868240	197842626	/nfs/dbraw/zinc/84/26/26/197842626.db2.gz	HTYFDQHMQVRQIQ-LBPRGKRZSA-N	0	3	309.370	0.961	10	5		DCBEHN
Cn1cc([C@@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000173653902	198236375	/nfs/dbraw/zinc/23/63/75/198236375.db2.gz	RNBXXBRUUKVXSU-RISCZKNCSA-N	0	3	320.353	0.375	10	5		DCBEHN
Cn1cc([C@@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000247176489	395967586	/nfs/dbraw/zinc/96/75/86/395967586.db2.gz	RNBXXBRUUKVXSU-BXUZGUMPSA-N	0	3	320.353	0.375	10	5		DCBEHN
Cn1cc([C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000247176503	395967751	/nfs/dbraw/zinc/96/77/51/395967751.db2.gz	RNBXXBRUUKVXSU-SMDDNHRTSA-N	0	3	320.353	0.375	10	5		DCBEHN
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC1CCN(C2CC2)CC1	ZINC000608801547	397756135	/nfs/dbraw/zinc/75/61/35/397756135.db2.gz	XFFHUCMWUAGEHB-UHFFFAOYSA-N	0	3	320.349	0.500	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCC[C@H](Cn3cncn3)C2)c1	ZINC000174854620	416088025	/nfs/dbraw/zinc/08/80/25/416088025.db2.gz	DWPDSVBXWNPVQO-LBPRGKRZSA-N	0	3	305.342	0.795	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](C)[NH3+]	ZINC000063170826	184275809	/nfs/dbraw/zinc/27/58/09/184275809.db2.gz	VBJRXTZCCLNXMR-QMMMGPOBSA-N	0	3	303.340	0.619	10	5		DCBEHN
CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000245408286	287068750	/nfs/dbraw/zinc/06/87/50/287068750.db2.gz	GMPOJGCGGKWPQF-STQMWFEESA-N	0	3	311.386	0.568	10	5		DCBEHN
CCOc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1[N+](=O)[O-]	ZINC000358051278	416179229	/nfs/dbraw/zinc/17/92/29/416179229.db2.gz	BPTYIIQOPCCZNK-HNNXBMFYSA-N	0	3	323.349	0.790	10	5		DCBEHN
C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCOCC1	ZINC000246502918	395951621	/nfs/dbraw/zinc/95/16/21/395951621.db2.gz	QAHROEBZXNFHNR-CHWSQXEVSA-N	0	3	309.370	0.444	10	5		DCBEHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@@H]1CO	ZINC000179169604	396223065	/nfs/dbraw/zinc/22/30/65/396223065.db2.gz	TZJCXHZYTLHITB-CHWSQXEVSA-N	0	3	323.349	0.659	10	5		DCBEHN
COc1cnccc1[C@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000187075236	396363120	/nfs/dbraw/zinc/36/31/20/396363120.db2.gz	IDDNLWBEGMZYTE-JQWIXIFHSA-N	0	3	321.337	0.907	10	5		DCBEHN
NC(=O)[C@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000611242255	396843457	/nfs/dbraw/zinc/84/34/57/396843457.db2.gz	PILSQBWRLWLLPU-CYBMUJFWSA-N	0	3	319.365	0.908	10	5		DCBEHN
C[C@@H]1CN(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCO1	ZINC000157968951	524923885	/nfs/dbraw/zinc/92/38/85/524923885.db2.gz	FJJUDSQAGGIQFO-CYBMUJFWSA-N	0	3	323.397	0.976	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000246966601	527088072	/nfs/dbraw/zinc/08/80/72/527088072.db2.gz	FYKDYSFUBOORDP-ZYHUDNBSSA-N	0	3	309.370	0.945	10	5		DCBEHN
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCC2=CCCOC2)cc1	ZINC000127353089	527377837	/nfs/dbraw/zinc/37/78/37/527377837.db2.gz	ZCVKLESHBRFTGS-HUUCEWRRSA-N	0	3	308.334	0.925	10	5		DCBEHN
Cc1nn(CCC(=O)N2CC[C@@H](N(C)C)C2)c(C)c1[N+](=O)[O-]	ZINC000170868242	197841936	/nfs/dbraw/zinc/84/19/36/197841936.db2.gz	HTYFDQHMQVRQIQ-GFCCVEGCSA-N	0	3	309.370	0.961	10	5		DCBEHN
Cn1cc([C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1	ZINC000173653914	198236394	/nfs/dbraw/zinc/23/63/94/198236394.db2.gz	RNBXXBRUUKVXSU-FZMZJTMJSA-N	0	3	320.353	0.375	10	5		DCBEHN
CCN1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000151289188	395983128	/nfs/dbraw/zinc/98/31/28/395983128.db2.gz	HVFHBBKUOSDQSA-LLVKDONJSA-N	0	3	310.358	0.575	10	5		DCBEHN
CN(C)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	ZINC000155365375	396050549	/nfs/dbraw/zinc/05/05/49/396050549.db2.gz	UCLMPOYSTGXLLZ-CYBMUJFWSA-N	0	3	322.365	0.456	10	5		DCBEHN
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1F)CCNC2	ZINC000261707556	396058712	/nfs/dbraw/zinc/05/87/12/396058712.db2.gz	KFAPALKAFLLJDF-UHFFFAOYSA-N	0	3	320.284	0.610	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1	ZINC000116784519	158167169	/nfs/dbraw/zinc/16/71/69/158167169.db2.gz	GJHYQVYADUMZFQ-GFCCVEGCSA-N	0	3	323.349	0.763	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CC[NH2+]C1	ZINC000131878017	158307091	/nfs/dbraw/zinc/30/70/91/158307091.db2.gz	XXGMDOBAYJIKGO-SECBINFHSA-N	0	3	315.351	0.491	10	5		DCBEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000408028450	160015908	/nfs/dbraw/zinc/01/59/08/160015908.db2.gz	DRKOTVYFMPKBEM-NWDGAFQWSA-N	0	3	320.349	0.452	10	5		DCBEHN
NC(=O)c1ccc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1	ZINC000193949941	416321266	/nfs/dbraw/zinc/32/12/66/416321266.db2.gz	KKEFSBZTHWTMRR-GFCCVEGCSA-N	0	3	322.365	0.952	10	5		DCBEHN
CNCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000070303848	396101153	/nfs/dbraw/zinc/10/11/53/396101153.db2.gz	BPNZFHIDQMLPLR-UHFFFAOYSA-N	0	3	303.340	0.443	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCNC[C@H]2c2cccnc2)n1	ZINC000262140185	396103618	/nfs/dbraw/zinc/10/36/18/396103618.db2.gz	DWAVWEOEIUGLAB-ZDUSSCGKSA-N	0	3	302.338	0.833	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCC[C@H](Cn3cncn3)C2)n1	ZINC000176237517	396152389	/nfs/dbraw/zinc/15/23/89/396152389.db2.gz	RWMCRWJGPQZUJY-LBPRGKRZSA-N	0	3	305.342	0.795	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116784609	158167568	/nfs/dbraw/zinc/16/75/68/158167568.db2.gz	MHRVBACEJGYXFX-AWEZNQCLSA-N	0	3	323.349	0.763	10	5		DCBEHN
C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000177225436	416142293	/nfs/dbraw/zinc/14/22/93/416142293.db2.gz	IQBHSHZLJINZGM-OCCSQVGLSA-N	0	3	309.370	0.444	10	5		DCBEHN
O=[N+]([O-])c1c(N2CCCN(CCO)CC2)nc2ccccn21	ZINC000729263861	662761621	/nfs/dbraw/zinc/76/16/21/662761621.db2.gz	NIFYTXSQTFZJBU-UHFFFAOYSA-N	0	3	305.338	0.747	10	5		DCBEHN
CN(C)[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000170859565	396099539	/nfs/dbraw/zinc/09/95/39/396099539.db2.gz	QUFJEKAOZUJVHW-ZDUSSCGKSA-N	0	3	320.349	0.487	10	5		DCBEHN
COc1cnccc1[C@@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000187075286	396363282	/nfs/dbraw/zinc/36/32/82/396363282.db2.gz	IDDNLWBEGMZYTE-ZYHUDNBSSA-N	0	3	321.337	0.907	10	5		DCBEHN
C[NH+](C)CCn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1	ZINC000614298041	397416300	/nfs/dbraw/zinc/41/63/00/397416300.db2.gz	JSFXYTBZGZDWRN-UHFFFAOYSA-N	0	3	320.309	0.706	10	5		DCBEHN
C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C	ZINC000124643170	525416260	/nfs/dbraw/zinc/41/62/60/525416260.db2.gz	XMZTWIHYYZANNA-VXGBXAGGSA-N	0	3	322.365	0.698	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCNC[C@H]2c2cccnc2)c1	ZINC000261666439	396054159	/nfs/dbraw/zinc/05/41/59/396054159.db2.gz	HIVMKTWQKJVKFC-AWEZNQCLSA-N	0	3	302.338	0.833	10	5		DCBEHN
COCCN1CCC[C@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000069503879	415400043	/nfs/dbraw/zinc/40/00/43/415400043.db2.gz	PSBBXAILXKPWML-NSHDSACASA-N	0	3	311.342	0.018	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2CCC[C@@H]2C1	ZINC000195450651	395827258	/nfs/dbraw/zinc/82/72/58/395827258.db2.gz	UZNSBJXSZBRXAH-GFCCVEGCSA-N	0	3	307.354	0.796	10	5		DCBEHN
CN(C)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000170845429	396098713	/nfs/dbraw/zinc/09/87/13/396098713.db2.gz	FIAOIQROOFZKAG-LBPRGKRZSA-N	0	3	306.322	0.696	10	5		DCBEHN
CN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCNCC1	ZINC000261966378	396084942	/nfs/dbraw/zinc/08/49/42/396084942.db2.gz	PJJUHIPXCZWSHW-UHFFFAOYSA-N	0	3	306.366	0.501	10	5		DCBEHN
C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C	ZINC000245604489	287071315	/nfs/dbraw/zinc/07/13/15/287071315.db2.gz	XSZBMBYTCPHEBN-OLZOCXBDSA-N	0	3	324.381	0.143	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1	ZINC000116786815	395845630	/nfs/dbraw/zinc/84/56/30/395845630.db2.gz	VQOYWDJXQOTDJT-LBPRGKRZSA-N	0	3	322.365	0.796	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000174854633	416087532	/nfs/dbraw/zinc/08/75/32/416087532.db2.gz	DWPDSVBXWNPVQO-GFCCVEGCSA-N	0	3	305.342	0.795	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000160548099	237085732	/nfs/dbraw/zinc/08/57/32/237085732.db2.gz	GASOTBGNMQHTKT-CYBMUJFWSA-N	0	3	322.365	0.875	10	5		DCBEHN
CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C[C@H](C)O	ZINC000246159991	395943039	/nfs/dbraw/zinc/94/30/39/395943039.db2.gz	IDFKOFXABYQPQO-STQMWFEESA-N	0	3	311.386	0.568	10	5		DCBEHN
CN1CCNC[C@H]1c1noc(C(C)(C)n2cc([N+](=O)[O-])cn2)n1	ZINC000263236173	396208370	/nfs/dbraw/zinc/20/83/70/396208370.db2.gz	OBXPJAMODCWNIC-JTQLQIEISA-N	0	3	321.341	0.534	10	5		DCBEHN
CN(C)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000264015848	396249752	/nfs/dbraw/zinc/24/97/52/396249752.db2.gz	MPRAUUQUQMXGPM-VIFPVBQESA-N	0	3	314.367	0.383	10	5		DCBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@@H]2C1	ZINC000178604118	416166299	/nfs/dbraw/zinc/16/62/99/416166299.db2.gz	IPEYUIHSXCVDAM-LLVKDONJSA-N	0	3	308.342	0.281	10	5		DCBEHN
CN(C)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000170859563	396099644	/nfs/dbraw/zinc/09/96/44/396099644.db2.gz	QUFJEKAOZUJVHW-CYBMUJFWSA-N	0	3	320.349	0.487	10	5		DCBEHN
O=C(CCN1C[C@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000184731632	396304100	/nfs/dbraw/zinc/30/41/00/396304100.db2.gz	JNFNXTGLMTUIKB-GHMZBOCLSA-N	0	3	309.322	0.351	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC(=O)N[C@H]1C1CC1	ZINC000367460295	397401673	/nfs/dbraw/zinc/40/16/73/397401673.db2.gz	ZOVWOJCTULXCPJ-WFASDCNBSA-N	0	3	320.349	0.403	10	5		DCBEHN
O=C(CCN1CCNC(=O)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000065955338	158034529	/nfs/dbraw/zinc/03/45/29/158034529.db2.gz	TWIKGXAVSSILDB-UHFFFAOYSA-N	0	3	306.322	0.745	10	5		DCBEHN
COCCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000170808843	416034300	/nfs/dbraw/zinc/03/43/00/416034300.db2.gz	BSBQRQRBAYMBOU-NSHDSACASA-N	0	3	311.342	0.018	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1	ZINC000176739204	416133613	/nfs/dbraw/zinc/13/36/13/416133613.db2.gz	BBNGHKNVFKOMBG-SNVBAGLBSA-N	0	3	308.338	0.580	10	5		DCBEHN
C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	ZINC000177225455	416141871	/nfs/dbraw/zinc/14/18/71/416141871.db2.gz	IQBHSHZLJINZGM-JSGCOSHPSA-N	0	3	309.370	0.444	10	5		DCBEHN
CN([C@@H]1CCCNC1)S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000095070594	277001403	/nfs/dbraw/zinc/00/14/03/277001403.db2.gz	VVJBMKYXOCRBCP-SECBINFHSA-N	0	3	300.340	0.362	10	5		DCBEHN
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCC2=CCCOC2)cc1	ZINC000127353541	527377425	/nfs/dbraw/zinc/37/74/25/527377425.db2.gz	ZCVKLESHBRFTGS-LSDHHAIUSA-N	0	3	308.334	0.925	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@H](O)CN3CCCCC3)nn21	ZINC000157820287	291229575	/nfs/dbraw/zinc/22/95/75/291229575.db2.gz	XJRMCARDNMRZTB-NSHDSACASA-N	0	3	320.353	0.896	10	5		DCBEHN
Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000181228233	396238012	/nfs/dbraw/zinc/23/80/12/396238012.db2.gz	XTWDBYQPAKXFFJ-NSHDSACASA-N	0	3	322.365	0.754	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116784607	521851364	/nfs/dbraw/zinc/85/13/64/521851364.db2.gz	MHRVBACEJGYXFX-CQSZACIVSA-N	0	3	323.349	0.763	10	5		DCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC[NH2+]CC2)nc1	ZINC000095091940	415549951	/nfs/dbraw/zinc/54/99/51/415549951.db2.gz	WNYWJRFHGWVUDK-UHFFFAOYSA-N	0	3	300.340	0.268	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2CN2CCOCC2)c1	ZINC000174857576	416087904	/nfs/dbraw/zinc/08/79/04/416087904.db2.gz	OPMLSTPPLCSGEO-AWEZNQCLSA-N	0	3	323.397	0.978	10	5		DCBEHN
CC[C@@H](CO)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000159854977	291236508	/nfs/dbraw/zinc/23/65/08/291236508.db2.gz	JHGWVCVDTJDNHB-ZDUSSCGKSA-N	0	3	324.381	0.145	10	5		DCBEHN
CN1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000194724855	395805456	/nfs/dbraw/zinc/80/54/56/395805456.db2.gz	LEYXXZICRYHXMC-ZDUSSCGKSA-N	0	3	320.349	0.535	10	5		DCBEHN
N[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F	ZINC000595121752	396552847	/nfs/dbraw/zinc/55/28/47/396552847.db2.gz	QUZGJKXUXXQUET-RKDXNWHRSA-N	0	3	303.315	0.655	10	5		DCBEHN
C[C@H]1CN(C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CCO1	ZINC000176237192	416122207	/nfs/dbraw/zinc/12/22/07/416122207.db2.gz	PHLWQPIBCSDAKX-ZDUSSCGKSA-N	0	3	323.397	0.976	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCCN3CCCO)nn21	ZINC000450602001	417246455	/nfs/dbraw/zinc/24/64/55/417246455.db2.gz	ZJAANBBDZLQSME-LLVKDONJSA-N	0	3	320.353	0.896	10	5		DCBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H](N2CC=CC2)C1	ZINC000161909701	526468015	/nfs/dbraw/zinc/46/80/15/526468015.db2.gz	UMCLEBWIDNUWID-GFCCVEGCSA-N	0	3	320.353	0.447	10	5		DCBEHN
Cc1cc(C(=O)N2CCO[C@@H](CN(C)C)C2)c(N)c([N+](=O)[O-])c1	ZINC000116977944	395850370	/nfs/dbraw/zinc/85/03/70/395850370.db2.gz	BZIDUEZBVUZDOY-NSHDSACASA-N	0	3	322.365	0.888	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)C1CCOCC1	ZINC000261871292	396074501	/nfs/dbraw/zinc/07/45/01/396074501.db2.gz	SYPRXDNKRBWACK-CQSZACIVSA-N	0	3	323.349	0.974	10	5		DCBEHN
C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCOCC1	ZINC000177224604	416141370	/nfs/dbraw/zinc/14/13/70/416141370.db2.gz	QAHROEBZXNFHNR-STQMWFEESA-N	0	3	309.370	0.444	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN1CCCN(C2CC2)CC1	ZINC000179205602	416185035	/nfs/dbraw/zinc/18/50/35/416185035.db2.gz	JSMJHOQRDCPPHD-UHFFFAOYSA-N	0	3	306.366	0.927	10	5		DCBEHN
CN(C)C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000131875895	521880669	/nfs/dbraw/zinc/88/06/69/521880669.db2.gz	UMTRUFTZKQEEKB-ZDUSSCGKSA-N	0	3	310.354	0.019	10	5		DCBEHN
Cc1nn(C)c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-]	ZINC000113225526	395828796	/nfs/dbraw/zinc/82/87/96/395828796.db2.gz	GDUFZCCEJGVKAA-ONGXEEELSA-N	0	3	307.354	0.945	10	5		DCBEHN
CC(C)C[C@@H](CN1CCCC1)NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000452779038	417502494	/nfs/dbraw/zinc/50/24/94/417502494.db2.gz	SHHKLIJUUNKTSR-LBPRGKRZSA-N	0	3	324.385	0.813	10	5		DCBEHN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000183983370	396280182	/nfs/dbraw/zinc/28/01/82/396280182.db2.gz	HJXBELFAPPKUBM-NSHDSACASA-N	0	3	323.353	0.149	10	5		DCBEHN
CN1CCC[C@H]1C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000610808417	396765992	/nfs/dbraw/zinc/76/59/92/396765992.db2.gz	JVHUNQZULBBAPM-ZDUSSCGKSA-N	0	3	319.365	0.733	10	5		DCBEHN
COCCN(C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000041967283	415208181	/nfs/dbraw/zinc/20/81/81/415208181.db2.gz	UHLWKQJSDKCKBW-UHFFFAOYSA-N	0	3	310.354	0.996	10	5		DCBEHN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@@H]3CCNC3)cnc2c1	ZINC000095092260	415549072	/nfs/dbraw/zinc/54/90/72/415549072.db2.gz	FDJKRTAJXYVIRT-SECBINFHSA-N	0	3	308.319	0.674	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCN(C3CC3)CC2)c1	ZINC000173588119	416062311	/nfs/dbraw/zinc/06/23/11/416062311.db2.gz	GYBUBOSRLRWTNJ-AWEZNQCLSA-N	0	3	309.370	0.322	10	5		DCBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCCN(C2CC2)CC1	ZINC000178605233	416166918	/nfs/dbraw/zinc/16/69/18/416166918.db2.gz	MLQFAKGVJMFAGI-UHFFFAOYSA-N	0	3	322.369	0.671	10	5		DCBEHN
C[C@H]1C[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C	ZINC000161730190	237102280	/nfs/dbraw/zinc/10/22/80/237102280.db2.gz	SLDSQCYQNOQQNG-NWDGAFQWSA-N	0	3	324.385	0.915	10	5		DCBEHN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)C[C@@H]1CO	ZINC000179183134	396224125	/nfs/dbraw/zinc/22/41/25/396224125.db2.gz	OPSUUFBWIYYJNA-OLZOCXBDSA-N	0	3	323.349	0.659	10	5		DCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)nc1	ZINC000095091938	193422082	/nfs/dbraw/zinc/42/20/82/193422082.db2.gz	NLXXBDMRTZVNLQ-SECBINFHSA-N	0	3	300.340	0.268	10	5		DCBEHN
CN(C)C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000137050782	395949246	/nfs/dbraw/zinc/94/92/46/395949246.db2.gz	ZVLUAMRXWTWRRD-CABCVRRESA-N	0	3	309.366	0.891	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](n3cncn3)C2)c1	ZINC000247194244	395969074	/nfs/dbraw/zinc/96/90/74/395969074.db2.gz	SZEMZKUGDZMWAY-DGCLKSJQSA-N	0	3	321.341	0.081	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000367460292	397401836	/nfs/dbraw/zinc/40/18/36/397401836.db2.gz	ZOVWOJCTULXCPJ-DOMZBBRYSA-N	0	3	320.349	0.403	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCCN(C2CC2)CC1	ZINC000061603881	158028220	/nfs/dbraw/zinc/02/82/20/158028220.db2.gz	DBRXBHGLBCKVCG-UHFFFAOYSA-N	0	3	307.354	0.796	10	5		DCBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCN2CCC[C@H]2C1	ZINC000178604135	416166830	/nfs/dbraw/zinc/16/68/30/416166830.db2.gz	IPEYUIHSXCVDAM-NSHDSACASA-N	0	3	308.342	0.281	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCNCC1	ZINC000020544754	182229579	/nfs/dbraw/zinc/22/95/79/182229579.db2.gz	CWENXGKYQJHSSC-UHFFFAOYSA-N	0	3	315.351	0.587	10	5		DCBEHN
N[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1F	ZINC000595120641	396552743	/nfs/dbraw/zinc/55/27/43/396552743.db2.gz	JSOSPROBGOWMNC-GHMZBOCLSA-N	0	3	303.315	0.655	10	5		DCBEHN
CN1CCNC[C@@H]1c1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1	ZINC000263199791	158862172	/nfs/dbraw/zinc/86/21/72/158862172.db2.gz	IWOZFBULGGRYLH-SNVBAGLBSA-N	0	3	322.300	0.942	10	5		DCBEHN
CC(C)(C(=O)N1CCN2CCC[C@@H]2C1)n1cc([N+](=O)[O-])cn1	ZINC000408088893	160033461	/nfs/dbraw/zinc/03/34/61/160033461.db2.gz	HMKZTOCPYJTDDG-LLVKDONJSA-N	0	3	307.354	0.833	10	5		DCBEHN
O=C(NC[C@H](O)CN1CCCCC1)Nc1ccncc1[N+](=O)[O-]	ZINC000183614837	416247373	/nfs/dbraw/zinc/24/73/73/416247373.db2.gz	LCNHVIJFKGIOAP-NSHDSACASA-N	0	3	323.353	0.958	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@H]3CN4CCC[C@H]4CO3)nn21	ZINC000373673089	416959685	/nfs/dbraw/zinc/95/96/85/416959685.db2.gz	LCIFRWWGNUIJRX-QWRGUYRKSA-N	0	3	318.337	0.913	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@@H](O)CN3CCCCC3)nn21	ZINC000157820422	291229665	/nfs/dbraw/zinc/22/96/65/291229665.db2.gz	XJRMCARDNMRZTB-LLVKDONJSA-N	0	3	320.353	0.896	10	5		DCBEHN
C[C@@H]1CC[C@@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000159807441	291236407	/nfs/dbraw/zinc/23/64/07/291236407.db2.gz	LJJCPFVBMAFAMQ-GHMZBOCLSA-N	0	3	308.338	0.342	10	5		DCBEHN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN(C)C	ZINC000045164787	395761825	/nfs/dbraw/zinc/76/18/25/395761825.db2.gz	FLFBJCMLKKCCHG-SNVBAGLBSA-N	0	3	308.338	0.391	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116790393	395846060	/nfs/dbraw/zinc/84/60/60/395846060.db2.gz	XVZKTDKPLAOCEG-CQSZACIVSA-N	0	3	307.350	0.926	10	5		DCBEHN
CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C[C@@H](C)O	ZINC000176232450	416122363	/nfs/dbraw/zinc/12/23/63/416122363.db2.gz	IDFKOFXABYQPQO-CHWSQXEVSA-N	0	3	311.386	0.568	10	5		DCBEHN
CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000265166638	416340452	/nfs/dbraw/zinc/34/04/52/416340452.db2.gz	AAOQZQFCTMFIDW-SNVBAGLBSA-N	0	3	307.354	0.867	10	5		DCBEHN
CN(C)C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCO1	ZINC000131875696	521853822	/nfs/dbraw/zinc/85/38/22/521853822.db2.gz	UMTRUFTZKQEEKB-CYBMUJFWSA-N	0	3	310.354	0.019	10	5		DCBEHN
Cc1c(NC(=O)CCN2C[C@@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-]	ZINC000179176240	396222766	/nfs/dbraw/zinc/22/27/66/396222766.db2.gz	CXIZTZPXYIWEPS-NEPJUHHUSA-N	0	3	323.349	0.659	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1	ZINC000116784521	158167421	/nfs/dbraw/zinc/16/74/21/158167421.db2.gz	GJHYQVYADUMZFQ-LBPRGKRZSA-N	0	3	323.349	0.763	10	5		DCBEHN
C[C@@H](NC[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000181115751	416204579	/nfs/dbraw/zinc/20/45/79/416204579.db2.gz	RPLWZFJIFBTICX-IUODEOHRSA-N	0	3	309.366	0.939	10	5		DCBEHN
CN(C)C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1	ZINC000155345673	289217949	/nfs/dbraw/zinc/21/79/49/289217949.db2.gz	MHCKUUTWVSQIOT-LBPRGKRZSA-N	0	3	322.365	0.796	10	5		DCBEHN
Cn1cc([C@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1	ZINC000132083262	527319706	/nfs/dbraw/zinc/31/97/06/527319706.db2.gz	DISFJMHMJIBCRP-LBPRGKRZSA-N	0	3	317.349	0.980	10	5		DCBEHN
C[C@H]1CC[C@@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000159807564	291236515	/nfs/dbraw/zinc/23/65/15/291236515.db2.gz	LJJCPFVBMAFAMQ-WDEREUQCSA-N	0	3	308.338	0.342	10	5		DCBEHN
Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000183983387	396279979	/nfs/dbraw/zinc/27/99/79/396279979.db2.gz	HJXBELFAPPKUBM-LLVKDONJSA-N	0	3	323.353	0.149	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN2CCC1CC2	ZINC000188606269	396383473	/nfs/dbraw/zinc/38/34/73/396383473.db2.gz	LYXZRHMGXZYDAO-UHFFFAOYSA-N	0	3	307.354	0.796	10	5		DCBEHN
CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000265166636	416340292	/nfs/dbraw/zinc/34/02/92/416340292.db2.gz	AAOQZQFCTMFIDW-JTQLQIEISA-N	0	3	307.354	0.867	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCCN3CCCO)nn21	ZINC000450602002	417248095	/nfs/dbraw/zinc/24/80/95/417248095.db2.gz	ZJAANBBDZLQSME-NSHDSACASA-N	0	3	320.353	0.896	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CNC1	ZINC000090290020	185289680	/nfs/dbraw/zinc/28/96/80/185289680.db2.gz	XZOVJCKFSQEWOM-UHFFFAOYSA-N	0	3	301.324	0.196	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1	ZINC000116795729	395846039	/nfs/dbraw/zinc/84/60/39/395846039.db2.gz	MXPMWCOIVQFWOL-AWEZNQCLSA-N	0	3	323.349	0.763	10	5		DCBEHN
CN1CCNC[C@@H]1c1noc(C(C)(C)n2cc([N+](=O)[O-])cn2)n1	ZINC000263236174	396208586	/nfs/dbraw/zinc/20/85/86/396208586.db2.gz	OBXPJAMODCWNIC-SNVBAGLBSA-N	0	3	321.341	0.534	10	5		DCBEHN
O=C(CCN1C[C@@H](O)C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-]	ZINC000184731656	396303623	/nfs/dbraw/zinc/30/36/23/396303623.db2.gz	JNFNXTGLMTUIKB-MNOVXSKESA-N	0	3	309.322	0.351	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(CCO)CC1	ZINC000132434527	158310320	/nfs/dbraw/zinc/31/03/20/158310320.db2.gz	JZHDLTLTQCNIAV-UHFFFAOYSA-N	0	3	322.365	0.732	10	5		DCBEHN
C[C@H](NC[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000181115701	416203660	/nfs/dbraw/zinc/20/36/60/416203660.db2.gz	RPLWZFJIFBTICX-WFASDCNBSA-N	0	3	309.366	0.939	10	5		DCBEHN
O=C(CCN1C[C@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1	ZINC000184715418	416253066	/nfs/dbraw/zinc/25/30/66/416253066.db2.gz	RSUHKHOMLUHFTN-CHWSQXEVSA-N	0	3	309.322	0.351	10	5		DCBEHN
CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C[C@@H](C)O	ZINC000176232467	416121977	/nfs/dbraw/zinc/12/19/77/416121977.db2.gz	IDFKOFXABYQPQO-OLZOCXBDSA-N	0	3	311.386	0.568	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@H]3CN4CCC[C@@H]4CO3)nn21	ZINC000373673088	416961666	/nfs/dbraw/zinc/96/16/66/416961666.db2.gz	LCIFRWWGNUIJRX-MNOVXSKESA-N	0	3	318.337	0.913	10	5		DCBEHN
CN(C)C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	ZINC000108951603	276807213	/nfs/dbraw/zinc/80/72/13/276807213.db2.gz	SPJRWECWCFQMFQ-NSHDSACASA-N	0	3	308.338	0.461	10	5		DCBEHN
C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C	ZINC000124643800	524788759	/nfs/dbraw/zinc/78/87/59/524788759.db2.gz	XMZTWIHYYZANNA-RYUDHWBXSA-N	0	3	322.365	0.698	10	5		DCBEHN
N[C@]1(CF)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000757067395	670347861	/nfs/dbraw/zinc/34/78/61/670347861.db2.gz	BMYIGGBTQRBUHK-NSHDSACASA-N	0	3	303.315	0.656	10	5		DCBEHN
CN(C)C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000246383487	395949036	/nfs/dbraw/zinc/94/90/36/395949036.db2.gz	ZVLUAMRXWTWRRD-HUUCEWRRSA-N	0	3	309.366	0.891	10	5		DCBEHN
Cc1cc([N+](=O)[O-])ccc1CNCCCNS(C)(=O)=O	ZINC000184988560	396313172	/nfs/dbraw/zinc/31/31/72/396313172.db2.gz	SZYHIMQKQLOOMU-UHFFFAOYSA-N	0	3	301.368	0.932	10	5		DCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[NH2+]2)nc1	ZINC000095091934	415548094	/nfs/dbraw/zinc/54/80/94/415548094.db2.gz	NDWNRBFPFGXMRE-VIFPVBQESA-N	0	3	300.340	0.410	10	5		DCBEHN
CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCOC	ZINC000176232684	416122515	/nfs/dbraw/zinc/12/25/15/416122515.db2.gz	JBTQAGGFWSHDJG-CYBMUJFWSA-N	0	3	311.386	0.834	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1	ZINC000116786665	395845468	/nfs/dbraw/zinc/84/54/68/395845468.db2.gz	GGDSJBYPKSHAOE-ZDUSSCGKSA-N	0	3	307.350	0.926	10	5		DCBEHN
CN(C)[C@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1	ZINC000109272341	395797077	/nfs/dbraw/zinc/79/70/77/395797077.db2.gz	YJMVKPQFTCOHFP-LBPRGKRZSA-N	0	3	321.333	0.949	10	5		DCBEHN
C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1N1CCOCC1	ZINC000246502931	395951595	/nfs/dbraw/zinc/95/15/95/395951595.db2.gz	QAHROEBZXNFHNR-QWHCGFSZSA-N	0	3	309.370	0.444	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)C1CCOCC1	ZINC000261871291	396074477	/nfs/dbraw/zinc/07/44/77/396074477.db2.gz	SYPRXDNKRBWACK-AWEZNQCLSA-N	0	3	323.349	0.974	10	5		DCBEHN
[NH3+]C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1	ZINC000599105250	397337562	/nfs/dbraw/zinc/33/75/62/397337562.db2.gz	XRVJHJRHPRPQIU-UHFFFAOYSA-N	0	3	315.351	0.381	10	5		DCBEHN
C[C@@H]1C[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C	ZINC000161730307	533584351	/nfs/dbraw/zinc/58/43/51/533584351.db2.gz	SLDSQCYQNOQQNG-NEPJUHHUSA-N	0	3	324.385	0.915	10	5		DCBEHN
Cc1nn(C)c(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-]	ZINC000247022467	395964861	/nfs/dbraw/zinc/96/48/61/395964861.db2.gz	GDUFZCCEJGVKAA-KOLCDFICSA-N	0	3	307.354	0.945	10	5		DCBEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000248417895	395987420	/nfs/dbraw/zinc/98/74/20/395987420.db2.gz	JXLMUNXLQBZKKQ-UWVGGRQHSA-N	0	3	305.338	0.881	10	5		DCBEHN
C[C@@H](NC[C@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000181115717	158482724	/nfs/dbraw/zinc/48/27/24/158482724.db2.gz	RPLWZFJIFBTICX-DOMZBBRYSA-N	0	3	309.366	0.939	10	5		DCBEHN
CC[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000132252949	287004548	/nfs/dbraw/zinc/00/45/48/287004548.db2.gz	FDTVKUGNPWZHLI-AWEZNQCLSA-N	0	3	324.381	0.145	10	5		DCBEHN
CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174849457	416087688	/nfs/dbraw/zinc/08/76/88/416087688.db2.gz	VXSAFVVMHWPKMH-ZDUSSCGKSA-N	0	3	311.386	0.834	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000246966559	527088672	/nfs/dbraw/zinc/08/86/72/527088672.db2.gz	FYKDYSFUBOORDP-PWSUYJOCSA-N	0	3	309.370	0.945	10	5		DCBEHN
C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C	ZINC000124643411	524900331	/nfs/dbraw/zinc/90/03/31/524900331.db2.gz	XMZTWIHYYZANNA-NWDGAFQWSA-N	0	3	322.365	0.698	10	5		DCBEHN
COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000172771594	198147810	/nfs/dbraw/zinc/14/78/10/198147810.db2.gz	QBZHPSWNTDWCFA-UHFFFAOYSA-N	0	3	311.342	0.469	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC[NH3+]	ZINC000037714709	395728348	/nfs/dbraw/zinc/72/83/48/395728348.db2.gz	AUWQJTHSOMHMPM-UHFFFAOYSA-N	0	3	303.340	0.621	10	5		DCBEHN
NC(=O)c1ccc(CN2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000246275145	395946260	/nfs/dbraw/zinc/94/62/60/395946260.db2.gz	HKMZQOZDNDXZBN-ZDUSSCGKSA-N	0	3	304.350	0.974	10	5		DCBEHN
C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246388167	395948731	/nfs/dbraw/zinc/94/87/31/395948731.db2.gz	IQBHSHZLJINZGM-GXTWGEPZSA-N	0	3	309.370	0.444	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CN(C)C)C1	ZINC000116797865	158167668	/nfs/dbraw/zinc/16/76/68/158167668.db2.gz	NYJNNDUZXNZOTM-LBPRGKRZSA-N	0	3	308.338	0.701	10	5		DCBEHN
C[C@@H]1CC[C@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000159807148	291236534	/nfs/dbraw/zinc/23/65/34/291236534.db2.gz	LJJCPFVBMAFAMQ-MNOVXSKESA-N	0	3	308.338	0.342	10	5		DCBEHN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCC[C@H]2C1	ZINC000195450840	395827994	/nfs/dbraw/zinc/82/79/94/395827994.db2.gz	WBHMZLMMAAMPCT-NSHDSACASA-N	0	3	306.322	0.063	10	5		DCBEHN
COc1cnccc1[C@H](C)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000187075275	396363143	/nfs/dbraw/zinc/36/31/43/396363143.db2.gz	IDDNLWBEGMZYTE-CMPLNLGQSA-N	0	3	321.337	0.907	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN1CCN2CCCC[C@@H]2C1	ZINC000090554484	158103782	/nfs/dbraw/zinc/10/37/82/158103782.db2.gz	PAUWMFVCZUPPBN-CYBMUJFWSA-N	0	3	306.366	0.927	10	5		DCBEHN
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@H]3CCNC3)cnc2c1	ZINC000095092261	415548301	/nfs/dbraw/zinc/54/83/01/415548301.db2.gz	FDJKRTAJXYVIRT-VIFPVBQESA-N	0	3	308.319	0.674	10	5		DCBEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000180565796	416199392	/nfs/dbraw/zinc/19/93/92/416199392.db2.gz	JXLMUNXLQBZKKQ-VHSXEESVSA-N	0	3	305.338	0.881	10	5		DCBEHN
O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CN4CCC[C@H]4CO3)nn21	ZINC000373673090	416961364	/nfs/dbraw/zinc/96/13/64/416961364.db2.gz	LCIFRWWGNUIJRX-WDEREUQCSA-N	0	3	318.337	0.913	10	5		DCBEHN
CN(C)C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1	ZINC000155345569	289201955	/nfs/dbraw/zinc/20/19/55/289201955.db2.gz	MHCKUUTWVSQIOT-GFCCVEGCSA-N	0	3	322.365	0.796	10	5		DCBEHN
N[C@@]1(CF)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000757067390	670347878	/nfs/dbraw/zinc/34/78/78/670347878.db2.gz	BMYIGGBTQRBUHK-LLVKDONJSA-N	0	3	303.315	0.656	10	5		DCBEHN
[NH3+]CCCOCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000599106535	397338259	/nfs/dbraw/zinc/33/82/59/397338259.db2.gz	UWDIVMLAYJDURP-UHFFFAOYSA-N	0	3	303.340	0.239	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CN(C)C)C1	ZINC000116797863	158167599	/nfs/dbraw/zinc/16/75/99/158167599.db2.gz	NYJNNDUZXNZOTM-GFCCVEGCSA-N	0	3	308.338	0.701	10	5		DCBEHN
CN([C@@H]1CCCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000095070608	415549039	/nfs/dbraw/zinc/54/90/39/415549039.db2.gz	JRJOTWIDUFEROY-SECBINFHSA-N	0	3	300.340	0.362	10	5		DCBEHN
O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccncc1[N+](=O)[O-]	ZINC000183614856	416246433	/nfs/dbraw/zinc/24/64/33/416246433.db2.gz	LCNHVIJFKGIOAP-LLVKDONJSA-N	0	3	323.353	0.958	10	5		DCBEHN
CN(C)C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	ZINC000108951600	282127983	/nfs/dbraw/zinc/12/79/83/282127983.db2.gz	SPJRWECWCFQMFQ-LLVKDONJSA-N	0	3	308.338	0.461	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CN1CCCCC1	ZINC000160547976	237085546	/nfs/dbraw/zinc/08/55/46/237085546.db2.gz	GASOTBGNMQHTKT-ZDUSSCGKSA-N	0	3	322.365	0.875	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1	ZINC000116786814	395845597	/nfs/dbraw/zinc/84/55/97/395845597.db2.gz	VQOYWDJXQOTDJT-GFCCVEGCSA-N	0	3	322.365	0.796	10	5		DCBEHN
Cc1nn(C)c(-c2nc([C@@H]3CNCCN3C)no2)c1[N+](=O)[O-]	ZINC000263154605	396203376	/nfs/dbraw/zinc/20/33/76/396203376.db2.gz	DHIQBFAUJNRSBD-QMMMGPOBSA-N	0	3	307.314	0.263	10	5		DCBEHN
C[C@H](NC[C@@H](O)CN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000181115733	416203637	/nfs/dbraw/zinc/20/36/37/416203637.db2.gz	RPLWZFJIFBTICX-SWLSCSKDSA-N	0	3	309.366	0.939	10	5		DCBEHN
C[C@H]1CN(C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCO1	ZINC000157969098	524578217	/nfs/dbraw/zinc/57/82/17/524578217.db2.gz	FJJUDSQAGGIQFO-ZDUSSCGKSA-N	0	3	323.397	0.976	10	5		DCBEHN
C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCN1C	ZINC000124643651	525244432	/nfs/dbraw/zinc/24/44/32/525244432.db2.gz	XMZTWIHYYZANNA-NEPJUHHUSA-N	0	3	322.365	0.698	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCO1	ZINC000116786663	395845402	/nfs/dbraw/zinc/84/54/02/395845402.db2.gz	GGDSJBYPKSHAOE-CYBMUJFWSA-N	0	3	307.350	0.926	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Cn3cncn3)C2)n1	ZINC000176237532	396152185	/nfs/dbraw/zinc/15/21/85/396152185.db2.gz	RWMCRWJGPQZUJY-GFCCVEGCSA-N	0	3	305.342	0.795	10	5		DCBEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000408028454	160016122	/nfs/dbraw/zinc/01/61/22/160016122.db2.gz	DRKOTVYFMPKBEM-VXGBXAGGSA-N	0	3	320.349	0.452	10	5		DCBEHN
COCCN1CCC[C@@H]1CNC(=O)Cn1ccc([N+](=O)[O-])n1	ZINC000069503876	415400884	/nfs/dbraw/zinc/40/08/84/415400884.db2.gz	PSBBXAILXKPWML-LLVKDONJSA-N	0	3	311.342	0.018	10	5		DCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[NH2+]2)nc1	ZINC000095091935	415547403	/nfs/dbraw/zinc/54/74/03/415547403.db2.gz	NDWNRBFPFGXMRE-SECBINFHSA-N	0	3	300.340	0.410	10	5		DCBEHN
CN([C@H]1CCCNC1)S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC000095070595	277002327	/nfs/dbraw/zinc/00/23/27/277002327.db2.gz	VVJBMKYXOCRBCP-VIFPVBQESA-N	0	3	300.340	0.362	10	5		DCBEHN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCCN(C2CC2)CC1	ZINC000195305787	283367880	/nfs/dbraw/zinc/36/78/80/283367880.db2.gz	AHOWULCYKHLRIT-UHFFFAOYSA-N	0	3	305.338	0.763	10	5		DCBEHN
CN1CCNC[C@@H]1c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1	ZINC000263178929	396205472	/nfs/dbraw/zinc/20/54/72/396205472.db2.gz	GMHTXXGEJNAJRC-LLVKDONJSA-N	0	3	304.310	0.803	10	5		DCBEHN
COc1ccc(CNC(=O)C2(N)CCOCC2)cc1[N+](=O)[O-]	ZINC000261931293	396080880	/nfs/dbraw/zinc/08/08/80/396080880.db2.gz	WFLQZKVEKVBBRO-UHFFFAOYSA-N	0	3	309.322	0.728	10	5		DCBEHN
CCN1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1	ZINC000042591106	415212757	/nfs/dbraw/zinc/21/27/57/415212757.db2.gz	UTFIAWPTYBTWNU-UHFFFAOYSA-N	0	3	321.381	0.666	10	5		DCBEHN
O=C(CCN1C[C@@H](O)C[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1	ZINC000184715444	416252728	/nfs/dbraw/zinc/25/27/28/416252728.db2.gz	RSUHKHOMLUHFTN-OLZOCXBDSA-N	0	3	309.322	0.351	10	5		DCBEHN
CN(C)C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000246383512	395949141	/nfs/dbraw/zinc/94/91/41/395949141.db2.gz	ZVLUAMRXWTWRRD-LSDHHAIUSA-N	0	3	309.366	0.891	10	5		DCBEHN
C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1N1CCOCC1	ZINC000177224585	416142107	/nfs/dbraw/zinc/14/21/07/416142107.db2.gz	QAHROEBZXNFHNR-OLZOCXBDSA-N	0	3	309.370	0.444	10	5		DCBEHN
Cn1cc([C@@H]2CCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)cn1	ZINC000132083025	527301907	/nfs/dbraw/zinc/30/19/07/527301907.db2.gz	DISFJMHMJIBCRP-GFCCVEGCSA-N	0	3	317.349	0.980	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC[NH2+]CC1	ZINC000020003629	182176502	/nfs/dbraw/zinc/17/65/02/182176502.db2.gz	NKFGNABYWXONIB-UHFFFAOYSA-N	0	3	315.351	0.634	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CCOCC1	ZINC000261946090	396082636	/nfs/dbraw/zinc/08/26/36/396082636.db2.gz	YINQXKPHIWMYHL-UHFFFAOYSA-N	0	3	309.322	0.728	10	5		DCBEHN
CN1CCNC[C@H]1c1noc(-c2cc(F)cc([N+](=O)[O-])c2N)n1	ZINC000263199790	396206019	/nfs/dbraw/zinc/20/60/19/396206019.db2.gz	IWOZFBULGGRYLH-JTQLQIEISA-N	0	3	322.300	0.942	10	5		DCBEHN
COc1cnccc1[C@@H](C)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000187075255	396362994	/nfs/dbraw/zinc/36/29/94/396362994.db2.gz	IDDNLWBEGMZYTE-PWSUYJOCSA-N	0	3	321.337	0.907	10	5		DCBEHN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](O)CN1CCCCC1	ZINC000193950450	416321036	/nfs/dbraw/zinc/32/10/36/416321036.db2.gz	KIFUWBUSZZYORB-NSHDSACASA-N	0	3	323.353	0.347	10	5		DCBEHN
CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C[C@H](C)O	ZINC000246159975	395942967	/nfs/dbraw/zinc/94/29/67/395942967.db2.gz	IDFKOFXABYQPQO-QWHCGFSZSA-N	0	3	311.386	0.568	10	5		DCBEHN
CN(C)C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1	ZINC000137050820	395949602	/nfs/dbraw/zinc/94/96/02/395949602.db2.gz	ZVLUAMRXWTWRRD-GJZGRUSLSA-N	0	3	309.366	0.891	10	5		DCBEHN
CN1CCNC[C@@H]1c1noc(-c2cccc([N+](=O)[O-])c2N)n1	ZINC000263254356	396209186	/nfs/dbraw/zinc/20/91/86/396209186.db2.gz	QHVWTMXNJZEICJ-SNVBAGLBSA-N	0	3	304.310	0.803	10	5		DCBEHN
C[C@H]1CN2CCC[C@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000408028451	160015847	/nfs/dbraw/zinc/01/58/47/160015847.db2.gz	DRKOTVYFMPKBEM-RYUDHWBXSA-N	0	3	320.349	0.452	10	5		DCBEHN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCCCN1C1CC1	ZINC000434446591	416479642	/nfs/dbraw/zinc/47/96/42/416479642.db2.gz	VDRJQQQQHUGCAB-NSHDSACASA-N	0	3	308.342	0.319	10	5		DCBEHN
CN(C)CCc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000438570667	287373694	/nfs/dbraw/zinc/37/36/94/287373694.db2.gz	JIBTVABIVPQQDZ-UHFFFAOYSA-N	0	3	318.337	0.929	10	5		DCBEHN
Cc1nn(C)c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1[N+](=O)[O-]	ZINC000247024449	279188347	/nfs/dbraw/zinc/18/83/47/279188347.db2.gz	GDUFZCCEJGVKAA-MWLCHTKSSA-N	0	3	307.354	0.945	10	5		DCBEHN
[NH3+]CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1	ZINC000599101391	397336895	/nfs/dbraw/zinc/33/68/95/397336895.db2.gz	DFXYXNTWTFUNGU-UHFFFAOYSA-N	0	3	315.351	0.381	10	5		DCBEHN
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C[C@H](C)O	ZINC000245408285	287068744	/nfs/dbraw/zinc/06/87/44/287068744.db2.gz	GMPOJGCGGKWPQF-QWHCGFSZSA-N	0	3	311.386	0.568	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1	ZINC000173792607	416066144	/nfs/dbraw/zinc/06/61/44/416066144.db2.gz	VUGKYVUBUAOINJ-CQSZACIVSA-N	0	3	307.350	0.926	10	5		DCBEHN
C[C@@H]1CCCCN1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000128400869	524107143	/nfs/dbraw/zinc/10/71/43/524107143.db2.gz	NEIHOIBPQRWRSK-GFCCVEGCSA-N	0	3	324.385	0.965	10	5		DCBEHN
COCCNc1ncnc(N(C)C2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000040656990	183114826	/nfs/dbraw/zinc/11/48/26/183114826.db2.gz	GQODVYGDPHDKDB-UHFFFAOYSA-N	0	3	324.385	0.974	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](C)[NH3+]	ZINC000063170827	184275568	/nfs/dbraw/zinc/27/55/68/184275568.db2.gz	VBJRXTZCCLNXMR-MRVPVSSYSA-N	0	3	303.340	0.619	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1	ZINC000116798221	395846396	/nfs/dbraw/zinc/84/63/96/395846396.db2.gz	DOWNLRGREXOHPP-LLVKDONJSA-N	0	3	308.338	0.580	10	5		DCBEHN
COC(=O)c1cc(NC(=O)C2(N)CCOCC2)cc([N+](=O)[O-])c1	ZINC000261941063	396081660	/nfs/dbraw/zinc/08/16/60/396081660.db2.gz	XMYAQQBLYFMSRC-UHFFFAOYSA-N	0	3	323.305	0.828	10	5		DCBEHN
CCc1[nH]nc(C(=O)Nc2cnn(CCN(C)C)c2)c1[N+](=O)[O-]	ZINC000608867054	397758343	/nfs/dbraw/zinc/75/83/43/397758343.db2.gz	OZWAMGDHKOWHTP-UHFFFAOYSA-N	0	3	321.341	0.891	10	5		DCBEHN
Nc1c(C(=O)NC[C@H](O)CN2CCCCC2)cccc1[N+](=O)[O-]	ZINC000160060180	527427645	/nfs/dbraw/zinc/42/76/45/527427645.db2.gz	SKMMOOKXCRRNPL-NSHDSACASA-N	0	3	322.365	0.754	10	5		DCBEHN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN2CCC[C@@H]2C1	ZINC000195450837	395827809	/nfs/dbraw/zinc/82/78/09/395827809.db2.gz	WBHMZLMMAAMPCT-LLVKDONJSA-N	0	3	306.322	0.063	10	5		DCBEHN
NC(=O)c1ccc(CN2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000178638992	396202149	/nfs/dbraw/zinc/20/21/49/396202149.db2.gz	HKMZQOZDNDXZBN-CYBMUJFWSA-N	0	3	304.350	0.974	10	5		DCBEHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@@H]1CO	ZINC000179169617	396223406	/nfs/dbraw/zinc/22/34/06/396223406.db2.gz	TZJCXHZYTLHITB-OLZOCXBDSA-N	0	3	323.349	0.659	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN[C@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000367460294	296532366	/nfs/dbraw/zinc/53/23/66/296532366.db2.gz	ZOVWOJCTULXCPJ-SWLSCSKDSA-N	0	3	320.349	0.403	10	5		DCBEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1	ZINC000408028448	160015939	/nfs/dbraw/zinc/01/59/39/160015939.db2.gz	DRKOTVYFMPKBEM-NEPJUHHUSA-N	0	3	320.349	0.452	10	5		DCBEHN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)nc1	ZINC000095091939	415550184	/nfs/dbraw/zinc/55/01/84/415550184.db2.gz	NLXXBDMRTZVNLQ-VIFPVBQESA-N	0	3	300.340	0.268	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(c3cc[nH]n3)CC2)c1	ZINC000174765518	416086338	/nfs/dbraw/zinc/08/63/38/416086338.db2.gz	SDNXDQIRWIEMIL-CYBMUJFWSA-N	0	3	320.353	0.755	10	5		DCBEHN
NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](O)CN1CCCCC1	ZINC000193950464	416320922	/nfs/dbraw/zinc/32/09/22/416320922.db2.gz	KIFUWBUSZZYORB-LLVKDONJSA-N	0	3	323.353	0.347	10	5		DCBEHN
CN(C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000716731198	670271643	/nfs/dbraw/zinc/27/16/43/670271643.db2.gz	ZUMMZEOXCFMQCZ-MRVPVSSYSA-N	0	3	301.730	0.901	10	5		DCBEHN
C[C@H]1CC[C@H](C(N)=O)CN1CCn1cc([N+](=O)[O-])ccc1=O	ZINC000159807313	291236373	/nfs/dbraw/zinc/23/63/73/291236373.db2.gz	LJJCPFVBMAFAMQ-QWRGUYRKSA-N	0	3	308.338	0.342	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1	ZINC000116790395	395846372	/nfs/dbraw/zinc/84/63/72/395846372.db2.gz	XVZKTDKPLAOCEG-AWEZNQCLSA-N	0	3	307.350	0.926	10	5		DCBEHN
CCN1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1	ZINC000151289127	395982942	/nfs/dbraw/zinc/98/29/42/395982942.db2.gz	HVFHBBKUOSDQSA-NSHDSACASA-N	0	3	310.358	0.575	10	5		DCBEHN
CN1CCNC[C@H]1c1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1	ZINC000263178931	396205395	/nfs/dbraw/zinc/20/53/95/396205395.db2.gz	GMHTXXGEJNAJRC-NSHDSACASA-N	0	3	304.310	0.803	10	5		DCBEHN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)C[C@@H]1CO	ZINC000179183121	396224038	/nfs/dbraw/zinc/22/40/38/396224038.db2.gz	OPSUUFBWIYYJNA-CHWSQXEVSA-N	0	3	323.349	0.659	10	5		DCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCN(C)C3)C2)n1	ZINC000590456408	396784386	/nfs/dbraw/zinc/78/43/86/396784386.db2.gz	NWRJXJNWSYAUAW-AWEZNQCLSA-N	0	3	307.354	0.979	10	5		DCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)NCCCN(C)CCOC)n1	ZINC000191771282	416289033	/nfs/dbraw/zinc/28/90/33/416289033.db2.gz	OKTYZAKWHCYLAT-UHFFFAOYSA-N	0	3	313.358	0.509	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](n3cncn3)C2)c1	ZINC000247194257	395968790	/nfs/dbraw/zinc/96/87/90/395968790.db2.gz	SZEMZKUGDZMWAY-YPMHNXCESA-N	0	3	321.341	0.081	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1-c1nc([C@H]2CNCCN2C)no1	ZINC000263297386	396212162	/nfs/dbraw/zinc/21/21/62/396212162.db2.gz	WNOZTTAKQOKWAE-LLVKDONJSA-N	0	3	304.310	0.924	10	5		DCBEHN
CN(C)CCn1cc(NC(=O)Nc2ccncc2[N+](=O)[O-])cn1	ZINC000611598244	396894819	/nfs/dbraw/zinc/89/48/19/396894819.db2.gz	ACTKXHVEDOTWCJ-UHFFFAOYSA-N	0	3	319.325	0.814	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCN(C3CC3)CC2)c1	ZINC000173588108	416061681	/nfs/dbraw/zinc/06/16/81/416061681.db2.gz	GYBUBOSRLRWTNJ-CQSZACIVSA-N	0	3	309.370	0.322	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCO1	ZINC000173792619	416066278	/nfs/dbraw/zinc/06/62/78/416066278.db2.gz	VUGKYVUBUAOINJ-AWEZNQCLSA-N	0	3	307.350	0.926	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(c3cc[nH]n3)CC2)c1	ZINC000174765512	416085574	/nfs/dbraw/zinc/08/55/74/416085574.db2.gz	SDNXDQIRWIEMIL-ZDUSSCGKSA-N	0	3	320.353	0.755	10	5		DCBEHN
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000174849198	416088145	/nfs/dbraw/zinc/08/81/45/416088145.db2.gz	GMPOJGCGGKWPQF-CHWSQXEVSA-N	0	3	311.386	0.568	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2CN2CCOCC2)n1	ZINC000176239683	280376859	/nfs/dbraw/zinc/37/68/59/280376859.db2.gz	UDPVTNKHWGVARW-AWEZNQCLSA-N	0	3	323.397	0.978	10	5		DCBEHN
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H](N2CC=CC2)C1	ZINC000161909585	526468223	/nfs/dbraw/zinc/46/82/23/526468223.db2.gz	UMCLEBWIDNUWID-LBPRGKRZSA-N	0	3	320.353	0.447	10	5		DCBEHN
CN(C)[C@@H]1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1	ZINC000109272337	395797138	/nfs/dbraw/zinc/79/71/38/395797138.db2.gz	YJMVKPQFTCOHFP-GFCCVEGCSA-N	0	3	321.333	0.949	10	5		DCBEHN
NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000261863977	396073724	/nfs/dbraw/zinc/07/37/24/396073724.db2.gz	NKTSCPPATIJYET-UHFFFAOYSA-N	0	3	308.338	0.631	10	5		DCBEHN
Cc1c(NC(=O)CCN2C[C@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-]	ZINC000179176228	396223308	/nfs/dbraw/zinc/22/33/08/396223308.db2.gz	CXIZTZPXYIWEPS-VXGBXAGGSA-N	0	3	323.349	0.659	10	5		DCBEHN
CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])cn1	ZINC000183354532	286625983	/nfs/dbraw/zinc/62/59/83/286625983.db2.gz	YBNWQJANDFTEIZ-VXGBXAGGSA-N	0	3	316.383	0.737	10	5		DCBEHN
CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C[C@@H](C)O	ZINC000174849208	416088445	/nfs/dbraw/zinc/08/84/45/416088445.db2.gz	GMPOJGCGGKWPQF-OLZOCXBDSA-N	0	3	311.386	0.568	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN1CCN2CCCC[C@H]2C1	ZINC000245590549	395932521	/nfs/dbraw/zinc/93/25/21/395932521.db2.gz	PAUWMFVCZUPPBN-ZDUSSCGKSA-N	0	3	306.366	0.927	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CCC(O)CC1	ZINC000136145201	395945106	/nfs/dbraw/zinc/94/51/06/395945106.db2.gz	MVRIFUBIQXRNGF-UHFFFAOYSA-N	0	3	322.365	0.875	10	5		DCBEHN
Cc1nn(C)c(-c2nc([C@H]3CNCCN3C)no2)c1[N+](=O)[O-]	ZINC000263154603	396203672	/nfs/dbraw/zinc/20/36/72/396203672.db2.gz	DHIQBFAUJNRSBD-MRVPVSSYSA-N	0	3	307.314	0.263	10	5		DCBEHN
N[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000261815857	661722017	/nfs/dbraw/zinc/72/20/17/661722017.db2.gz	PCIZSGMVXVSELJ-CQSZACIVSA-N	0	3	322.365	0.877	10	5		DCBEHN
NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCOCC1	ZINC000261695339	396056914	/nfs/dbraw/zinc/05/69/14/396056914.db2.gz	DJQCBQDIAOAUJT-UHFFFAOYSA-N	0	3	308.338	0.631	10	5		DCBEHN
N[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCOCC1	ZINC000261815856	661722027	/nfs/dbraw/zinc/72/20/27/661722027.db2.gz	PCIZSGMVXVSELJ-AWEZNQCLSA-N	0	3	322.365	0.877	10	5		DCBEHN
CCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1	ZINC000195447369	395827304	/nfs/dbraw/zinc/82/73/04/395827304.db2.gz	OTKOMVPGCQUOEB-NSHDSACASA-N	0	3	308.338	0.357	10	5		DCBEHN
COCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1C	ZINC000152531262	396012157	/nfs/dbraw/zinc/01/21/57/396012157.db2.gz	RGBCTZOCEHWQRY-UHFFFAOYSA-N	0	3	310.354	0.996	10	5		DCBEHN
CN1CCC[C@@H]1C(=O)N1CCN(c2ccncc2[N+](=O)[O-])CC1	ZINC000610808416	396766262	/nfs/dbraw/zinc/76/62/62/396766262.db2.gz	JVHUNQZULBBAPM-CYBMUJFWSA-N	0	3	319.365	0.733	10	5		DCBEHN
CN(C)CCN(Cc1ccco1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000446427550	416927726	/nfs/dbraw/zinc/92/77/26/416927726.db2.gz	GQQSPROGPAAMBS-UHFFFAOYSA-N	0	3	322.325	0.370	10	5		DCBEHN
CN([C@H]1CCCNC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000095070609	193416024	/nfs/dbraw/zinc/41/60/24/193416024.db2.gz	JRJOTWIDUFEROY-VIFPVBQESA-N	0	3	300.340	0.362	10	5		DCBEHN
C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	ZINC000246388174	395949056	/nfs/dbraw/zinc/94/90/56/395949056.db2.gz	IQBHSHZLJINZGM-TZMCWYRMSA-N	0	3	309.370	0.444	10	5		DCBEHN
C[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C	ZINC000131812039	287002023	/nfs/dbraw/zinc/00/20/23/287002023.db2.gz	XSZBMBYTCPHEBN-CHWSQXEVSA-N	0	3	324.381	0.143	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](n3cncn3)C2)c1	ZINC000173365659	416057450	/nfs/dbraw/zinc/05/74/50/416057450.db2.gz	SZEMZKUGDZMWAY-AAEUAGOBSA-N	0	3	321.341	0.081	10	5		DCBEHN
CCOc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1[N+](=O)[O-]	ZINC000358051279	416179163	/nfs/dbraw/zinc/17/91/63/416179163.db2.gz	BPTYIIQOPCCZNK-OAHLLOKOSA-N	0	3	323.349	0.790	10	5		DCBEHN
CN(C)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	ZINC000264015840	416339157	/nfs/dbraw/zinc/33/91/57/416339157.db2.gz	MPRAUUQUQMXGPM-SECBINFHSA-N	0	3	314.367	0.383	10	5		DCBEHN
C[C@@H]1C[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCN1C	ZINC000161730045	533891375	/nfs/dbraw/zinc/89/13/75/533891375.db2.gz	SLDSQCYQNOQQNG-VXGBXAGGSA-N	0	3	324.385	0.915	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1	ZINC000116798223	521881930	/nfs/dbraw/zinc/88/19/30/521881930.db2.gz	DOWNLRGREXOHPP-NSHDSACASA-N	0	3	308.338	0.580	10	5		DCBEHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCC2=CCCOC2)cc1	ZINC000127353311	527378429	/nfs/dbraw/zinc/37/84/29/527378429.db2.gz	ZCVKLESHBRFTGS-GJZGRUSLSA-N	0	3	308.334	0.925	10	5		DCBEHN
CCN1CCC[C@H]1CN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000151728126	395991544	/nfs/dbraw/zinc/99/15/44/395991544.db2.gz	GXAREAWKRHXKMW-LBPRGKRZSA-N	0	3	324.385	0.917	10	5		DCBEHN
CC[C@@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000132253147	287004659	/nfs/dbraw/zinc/00/46/59/287004659.db2.gz	FDTVKUGNPWZHLI-CQSZACIVSA-N	0	3	324.381	0.145	10	5		DCBEHN
CN(C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCO1	ZINC000176739220	416133766	/nfs/dbraw/zinc/13/37/66/416133766.db2.gz	BBNGHKNVFKOMBG-JTQLQIEISA-N	0	3	308.338	0.580	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CCO1	ZINC000183555066	416245555	/nfs/dbraw/zinc/24/55/55/416245555.db2.gz	AVJUVWWYLZHVSD-SNVBAGLBSA-N	0	3	309.326	0.784	10	5		DCBEHN
O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCCCN1C1CC1	ZINC000434446590	416478697	/nfs/dbraw/zinc/47/86/97/416478697.db2.gz	VDRJQQQQHUGCAB-LLVKDONJSA-N	0	3	308.342	0.319	10	5		DCBEHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCC2=CCCOC2)cc1	ZINC000127352869	527378587	/nfs/dbraw/zinc/37/85/87/527378587.db2.gz	ZCVKLESHBRFTGS-CABCVRRESA-N	0	3	308.334	0.925	10	5		DCBEHN
CN(C)C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1	ZINC000116795726	395846196	/nfs/dbraw/zinc/84/61/96/395846196.db2.gz	MXPMWCOIVQFWOL-CQSZACIVSA-N	0	3	323.349	0.763	10	5		DCBEHN
C[C@H](O)CN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C	ZINC000245604497	287071134	/nfs/dbraw/zinc/07/11/34/287071134.db2.gz	XSZBMBYTCPHEBN-STQMWFEESA-N	0	3	324.381	0.143	10	5		DCBEHN
Cc1cc(C(=O)N2CCO[C@H](CN(C)C)C2)c(N)c([N+](=O)[O-])c1	ZINC000116977942	395849418	/nfs/dbraw/zinc/84/94/18/395849418.db2.gz	BZIDUEZBVUZDOY-LLVKDONJSA-N	0	3	322.365	0.888	10	5		DCBEHN
CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000170845426	396098730	/nfs/dbraw/zinc/09/87/30/396098730.db2.gz	FIAOIQROOFZKAG-GFCCVEGCSA-N	0	3	306.322	0.696	10	5		DCBEHN
NC(=O)[C@@H]1CCCN1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000611242256	396843607	/nfs/dbraw/zinc/84/36/07/396843607.db2.gz	PILSQBWRLWLLPU-ZDUSSCGKSA-N	0	3	319.365	0.908	10	5		DCBEHN
COCCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000170808841	416034323	/nfs/dbraw/zinc/03/43/23/416034323.db2.gz	BSBQRQRBAYMBOU-LLVKDONJSA-N	0	3	311.342	0.018	10	5		DCBEHN
CN(C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000716731200	670272133	/nfs/dbraw/zinc/27/21/33/670272133.db2.gz	ZUMMZEOXCFMQCZ-QMMMGPOBSA-N	0	3	301.730	0.901	10	5		DCBEHN
C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cnc1N	ZINC000248417896	395987638	/nfs/dbraw/zinc/98/76/38/395987638.db2.gz	JXLMUNXLQBZKKQ-ZJUUUORDSA-N	0	3	305.338	0.881	10	5		DCBEHN
CN(C)C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1	ZINC000155365482	396050038	/nfs/dbraw/zinc/05/00/38/396050038.db2.gz	UCLMPOYSTGXLLZ-ZDUSSCGKSA-N	0	3	322.365	0.456	10	5		DCBEHN
CCN(CCCNCc1ccc([N+](=O)[O-])o1)S(C)(=O)=O	ZINC000038035559	182975494	/nfs/dbraw/zinc/97/54/94/182975494.db2.gz	DTGPRFNBDRQIAT-UHFFFAOYSA-N	0	3	305.356	0.949	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2CN2CCOCC2)n1	ZINC000176239667	396152300	/nfs/dbraw/zinc/15/23/00/396152300.db2.gz	UDPVTNKHWGVARW-CQSZACIVSA-N	0	3	323.397	0.978	10	5		DCBEHN
O=[N+]([O-])c1ccn(CCN2CCNC[C@@H]2c2cccnc2)n1	ZINC000262140172	158778157	/nfs/dbraw/zinc/77/81/57/158778157.db2.gz	DWAVWEOEIUGLAB-CYBMUJFWSA-N	0	3	302.338	0.833	10	5		DCBEHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](n3cncn3)C2)c1	ZINC000173365643	416057583	/nfs/dbraw/zinc/05/75/83/416057583.db2.gz	SZEMZKUGDZMWAY-WCQYABFASA-N	0	3	321.341	0.081	10	5		DCBEHN
Cc1nn(C)c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1[N+](=O)[O-]	ZINC000113225528	395828489	/nfs/dbraw/zinc/82/84/89/395828489.db2.gz	GDUFZCCEJGVKAA-GXSJLCMTSA-N	0	3	307.354	0.945	10	5		DCBEHN
Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000155374663	396050518	/nfs/dbraw/zinc/05/05/18/396050518.db2.gz	FYKDYSFUBOORDP-JQWIXIFHSA-N	0	3	309.370	0.945	10	5		DCBEHN
Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2CNCCN2C)no1	ZINC000263297387	396212159	/nfs/dbraw/zinc/21/21/59/396212159.db2.gz	WNOZTTAKQOKWAE-NSHDSACASA-N	0	3	304.310	0.924	10	5		DCBEHN
Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)CN1CCCCC1	ZINC000181228246	295362984	/nfs/dbraw/zinc/36/29/84/295362984.db2.gz	XTWDBYQPAKXFFJ-LLVKDONJSA-N	0	3	322.365	0.754	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNC1CC1	ZINC000054266969	395896428	/nfs/dbraw/zinc/89/64/28/395896428.db2.gz	BNSDVPIAJSPHEB-UHFFFAOYSA-N	0	3	315.351	0.634	10	5		DCBEHN
O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000367460293	397401608	/nfs/dbraw/zinc/40/16/08/397401608.db2.gz	ZOVWOJCTULXCPJ-IUODEOHRSA-N	0	3	320.349	0.403	10	5		DCBEHN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[NH2+]C1	ZINC000131878236	158307144	/nfs/dbraw/zinc/30/71/44/158307144.db2.gz	XXGMDOBAYJIKGO-VIFPVBQESA-N	0	3	315.351	0.491	10	5		DCBEHN
O=[N+]([O-])c1cnn(CCN2CCNC[C@@H]2c2cccnc2)c1	ZINC000261666441	396054013	/nfs/dbraw/zinc/05/40/13/396054013.db2.gz	HIVMKTWQKJVKFC-CQSZACIVSA-N	0	3	302.338	0.833	10	5		DCBEHN
CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1CCOC	ZINC000176232696	416121504	/nfs/dbraw/zinc/12/15/04/416121504.db2.gz	JBTQAGGFWSHDJG-ZDUSSCGKSA-N	0	3	311.386	0.834	10	5		DCBEHN
CN1CCNC[C@H]1c1noc(-c2cccc([N+](=O)[O-])c2N)n1	ZINC000263254353	396209566	/nfs/dbraw/zinc/20/95/66/396209566.db2.gz	QHVWTMXNJZEICJ-JTQLQIEISA-N	0	3	304.310	0.803	10	5		DCBEHN
O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN2CCC[C@@H]2C1	ZINC000177687709	396181080	/nfs/dbraw/zinc/18/10/80/396181080.db2.gz	PEJXGYFUBHOFTB-CYBMUJFWSA-N	0	3	318.333	0.840	10	5		DCBEHN
CCn1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCCOC)n1	ZINC000191826238	416290097	/nfs/dbraw/zinc/29/00/97/416290097.db2.gz	VVUPCVZEXWGBCD-UHFFFAOYSA-N	0	3	313.358	0.509	10	5		DCBEHN
C[C@H]1CCCCN1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000128401026	526250837	/nfs/dbraw/zinc/25/08/37/526250837.db2.gz	NEIHOIBPQRWRSK-LBPRGKRZSA-N	0	3	324.385	0.965	10	5		DCBEHN