smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	ZINC000023509313	182362497	/nfs/dbraw/zinc/36/24/97/182362497.db2.gz	MZHDCDLFIPHOSD-BETUJISGSA-N	0	1	321.377	1.824	50	5		DDBAMN
COc1cccc(N2CCN(CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000302475819	278016122	/nfs/dbraw/zinc/01/61/22/278016122.db2.gz	FAXGBPQFASRNTI-LBPRGKRZSA-N	0	1	323.393	1.885	50	5		DDBAMN
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000071911243	406866882	/nfs/dbraw/zinc/86/68/82/406866882.db2.gz	XCMJLJXOHPFWMK-VWYCJHECSA-N	0	1	319.144	1.808	50	5		DDBAMN
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000055452788	407202782	/nfs/dbraw/zinc/20/27/82/407202782.db2.gz	CBCWMCXOKZMPJX-ZIAGYGMSSA-N	0	1	322.336	1.655	50	5		DDBAMN
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CC1[N+](=O)[O-]	ZINC000242183859	222211655	/nfs/dbraw/zinc/21/16/55/222211655.db2.gz	XCMJLJXOHPFWMK-AXFHLTTASA-N	0	1	319.144	1.808	50	5		DDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000003877907	406718522	/nfs/dbraw/zinc/71/85/22/406718522.db2.gz	KKBSYQCICYAIOU-UHFFFAOYSA-N	0	1	306.366	1.183	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000044383202	407022892	/nfs/dbraw/zinc/02/28/92/407022892.db2.gz	FBXZUWIEIZAUPJ-ICCXJUOJSA-N	0	1	300.318	1.892	50	5		DDBAMN
CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	ZINC000096419328	407263529	/nfs/dbraw/zinc/26/35/29/407263529.db2.gz	ARFVLWKFXNYFHO-UWVGGRQHSA-N	0	1	310.354	1.902	50	5		DDBAMN
COc1ccc(CN(C)CCN2CCOCC2)cc1[N+](=O)[O-]	ZINC000071897028	184892990	/nfs/dbraw/zinc/89/29/90/184892990.db2.gz	PZOGGQJRQWPLDB-UHFFFAOYSA-N	0	1	309.366	1.367	50	5		DDBAMN
CCOc1cccc(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000096503070	407273654	/nfs/dbraw/zinc/27/36/54/407273654.db2.gz	OQECODPPPFTYOD-GXTWGEPZSA-N	0	1	307.350	1.513	50	5		DDBAMN
CCN1C[C@H](CN(C)C(=O)[C@H]2CC2[N+](=O)[O-])Oc2ccccc21	ZINC000239591362	222210498	/nfs/dbraw/zinc/21/04/98/222210498.db2.gz	BBCCMERGBBIIHZ-SGMGOOAPSA-N	0	1	319.361	1.398	50	5		DDBAMN
NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000071766948	191028722	/nfs/dbraw/zinc/02/87/22/191028722.db2.gz	PMPUEYMWVBNOML-UHFFFAOYSA-N	0	1	321.314	1.495	50	5		DDBAMN
CN1CCN(CCOCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004868785	181166335	/nfs/dbraw/zinc/16/63/35/181166335.db2.gz	LRZBCKYVNICMQI-UHFFFAOYSA-N	0	1	309.366	1.238	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1	ZINC000106097782	194185693	/nfs/dbraw/zinc/18/56/93/194185693.db2.gz	SEGITSOJPQRWPK-MISXGVKJSA-N	0	1	314.345	1.934	50	5		DDBAMN
C[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[nH]n1	ZINC000097141346	407282454	/nfs/dbraw/zinc/28/24/54/407282454.db2.gz	YXCCETRUXJFACD-SSDOTTSWSA-N	0	1	315.293	1.123	50	5		DDBAMN
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000045059887	418436184	/nfs/dbraw/zinc/43/61/84/418436184.db2.gz	KQKZRSYGBGNFBK-KGLIPLIRSA-N	0	1	318.329	1.479	50	5		DDBAMN
Cc1ccoc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000075092325	406921411	/nfs/dbraw/zinc/92/14/11/406921411.db2.gz	LPQYQBYKSPSSJT-ZFWWWQNUSA-N	0	1	306.318	1.680	50	5		DDBAMN
O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NCCc1cnc[nH]1	ZINC000096118777	407238807	/nfs/dbraw/zinc/23/88/07/407238807.db2.gz	YRZFIPMVIGBJNN-UHFFFAOYSA-N	0	1	313.317	1.632	50	5		DDBAMN
CN1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])s2)CC1	ZINC000192535617	408606369	/nfs/dbraw/zinc/60/63/69/408606369.db2.gz	GQAQFQHPZRSWEM-UHFFFAOYSA-N	0	1	313.427	1.879	50	5		DDBAMN
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CC2CC2)CC1	ZINC000298877780	410434430	/nfs/dbraw/zinc/43/44/30/410434430.db2.gz	XJEWUVGFKVXOLT-UHFFFAOYSA-N	0	1	303.362	1.692	50	5		DDBAMN
CCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000058046392	184070712	/nfs/dbraw/zinc/07/07/12/184070712.db2.gz	IAMVNCARHFOUGV-UHFFFAOYSA-N	0	1	301.368	1.133	50	5		DDBAMN
Cc1c(CC(=O)N(C)C[C@H](C)c2nn[nH]n2)cccc1[N+](=O)[O-]	ZINC000124504284	407360461	/nfs/dbraw/zinc/36/04/61/407360461.db2.gz	SVKYLMUZKKAKMP-VIFPVBQESA-N	0	1	318.337	1.221	50	5		DDBAMN
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1	ZINC000252678624	408808388	/nfs/dbraw/zinc/80/83/88/408808388.db2.gz	GLBHYCZAOCSYMW-KWCYVHTRSA-N	0	1	323.393	1.339	50	5		DDBAMN
Cc1cc(O)c([C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1	ZINC000000038123	180674874	/nfs/dbraw/zinc/67/48/74/180674874.db2.gz	BPPXNXWFEJCLDO-SNVBAGLBSA-N	0	1	319.269	1.791	50	5		DDBAMN
COCCN1CC[C@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000089365324	407131836	/nfs/dbraw/zinc/13/18/36/407131836.db2.gz	PECXWRJBLLSZGI-LBPRGKRZSA-N	0	1	322.365	1.461	50	5		DDBAMN
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1	ZINC000170600180	407449481	/nfs/dbraw/zinc/44/94/81/407449481.db2.gz	OQZGHQOKRBAMNB-UHFFFAOYSA-N	0	1	320.349	1.396	50	5		DDBAMN
CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000225547359	354318429	/nfs/dbraw/zinc/31/84/29/354318429.db2.gz	PVARJAHESPRUJY-UHFFFAOYSA-N	0	1	304.350	1.559	50	5		DDBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2CO)c1	ZINC000004662689	181133366	/nfs/dbraw/zinc/13/33/66/181133366.db2.gz	ZRCKXYJNXNCHRM-UHFFFAOYSA-N	0	1	308.315	1.888	50	5		DDBAMN
Cc1cc(O)c([C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)c(=O)o1	ZINC000000038122	406615707	/nfs/dbraw/zinc/61/57/07/406615707.db2.gz	BPPXNXWFEJCLDO-JTQLQIEISA-N	0	1	319.269	1.791	50	5		DDBAMN
CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1	ZINC000032932279	406957889	/nfs/dbraw/zinc/95/78/89/406957889.db2.gz	AVUXGTAVPNLZIB-IHRRRGAJSA-N	0	1	320.345	1.851	50	5		DDBAMN
CCOc1cccc(N2C[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-]	ZINC000245338809	276381453	/nfs/dbraw/zinc/38/14/53/276381453.db2.gz	OQECODPPPFTYOD-JSGCOSHPSA-N	0	1	307.350	1.513	50	5		DDBAMN
C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	ZINC000023509310	182362555	/nfs/dbraw/zinc/36/25/55/182362555.db2.gz	MZHDCDLFIPHOSD-CHWSQXEVSA-N	0	1	321.377	1.824	50	5		DDBAMN
O=c1[nH]c(=O)n(Cc2csc(-c3ccoc3)n2)cc1[N+](=O)[O-]	ZINC000072292148	406879536	/nfs/dbraw/zinc/87/95/36/406879536.db2.gz	XOMIMEZARROXPX-UHFFFAOYSA-N	0	1	320.286	1.210	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21	ZINC000089878666	407154937	/nfs/dbraw/zinc/15/49/37/407154937.db2.gz	BMYRNXSILSAQLG-ZOWXZIJZSA-N	0	1	314.345	1.693	50	5		DDBAMN
NNc1nc(N2CCOCC2)cc(C(F)(F)F)c1[N+](=O)[O-]	ZINC000091694990	407182594	/nfs/dbraw/zinc/18/25/94/407182594.db2.gz	BOMULEBKKFXBTI-UHFFFAOYSA-N	0	1	307.232	1.131	50	5		DDBAMN
CCc1nc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1	ZINC000225742193	407604427	/nfs/dbraw/zinc/60/44/27/407604427.db2.gz	WNGVDLMGQPNNNW-UHFFFAOYSA-N	0	1	314.298	1.388	50	5		DDBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1c[nH]nn1	ZINC000267312403	407830710	/nfs/dbraw/zinc/83/07/10/407830710.db2.gz	DJERVJZGSLZJAX-ZETCQYMHSA-N	0	1	323.334	1.841	50	5		DDBAMN
CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1	ZINC000032932277	406957831	/nfs/dbraw/zinc/95/78/31/406957831.db2.gz	AVUXGTAVPNLZIB-RDBSUJKOSA-N	0	1	320.345	1.851	50	5		DDBAMN
Cc1ncsc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000085324908	484003093	/nfs/dbraw/zinc/00/30/93/484003093.db2.gz	XVEQBJGQKAZZSH-TZMCWYRMSA-N	0	1	323.374	1.544	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCN(C)CC2)c1	ZINC000004842252	181161364	/nfs/dbraw/zinc/16/13/64/181161364.db2.gz	PZJBKNUPSNOKHJ-UHFFFAOYSA-N	0	1	323.393	1.546	50	5		DDBAMN
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	ZINC000001530728	406671254	/nfs/dbraw/zinc/67/12/54/406671254.db2.gz	VMXUWOKSQNHOCA-UKTHLTGXSA-N	0	1	314.411	1.459	50	5	fda	DDBAMN
Cc1nn(CC(=O)Nc2cccc3[nH]nnc32)c(C)c1[N+](=O)[O-]	ZINC000019625985	406886207	/nfs/dbraw/zinc/88/62/07/406886207.db2.gz	VJYHYJZHIDFIEC-UHFFFAOYSA-N	0	1	315.293	1.318	50	5		DDBAMN
C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[nH]n1	ZINC000097141344	407282177	/nfs/dbraw/zinc/28/21/77/407282177.db2.gz	YXCCETRUXJFACD-ZETCQYMHSA-N	0	1	315.293	1.123	50	5		DDBAMN
C[C@H](NC(=O)N(C)Cc1nnc[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000225854051	407609745	/nfs/dbraw/zinc/60/97/45/407609745.db2.gz	VMKHDGUIGMEGSH-VIFPVBQESA-N	0	1	304.310	1.616	50	5		DDBAMN
CC(C)CN1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000024765154	182390953	/nfs/dbraw/zinc/39/09/53/182390953.db2.gz	VAHAKCYBGVAFLK-HNNXBMFYSA-N	0	1	321.377	1.681	50	5		DDBAMN
COc1ccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC	ZINC000001295893	406665316	/nfs/dbraw/zinc/66/53/16/406665316.db2.gz	ZZYXOZDOAUYJMM-UHFFFAOYSA-N	0	1	320.305	1.308	50	5		DDBAMN
Cc1nc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000071882340	406860757	/nfs/dbraw/zinc/86/07/57/406860757.db2.gz	TYGPUJWBYYMGDW-MRVPVSSYSA-N	0	1	321.362	1.818	50	5		DDBAMN
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000077944560	407016235	/nfs/dbraw/zinc/01/62/35/407016235.db2.gz	IOAGGIGSQZJAPK-ZJUUUORDSA-N	0	1	310.272	1.469	50	5		DDBAMN
Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)n[nH]1	ZINC000096492129	407272513	/nfs/dbraw/zinc/27/25/13/407272513.db2.gz	LSOPRDSTUQOSMK-UHFFFAOYSA-N	0	1	317.353	1.047	50	5		DDBAMN
Cc1cc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)cc([N+](=O)[O-])c1	ZINC000124015370	407345604	/nfs/dbraw/zinc/34/56/04/407345604.db2.gz	QMYYGVAYJMDORB-VIFPVBQESA-N	0	1	304.310	1.292	50	5		DDBAMN
O=[N+]([O-])c1cccc2c(N3CCN(CCO)CC3)ccnc21	ZINC000004593411	275039703	/nfs/dbraw/zinc/03/97/03/275039703.db2.gz	WSMLSTRSZOAEBK-UHFFFAOYSA-N	0	1	302.334	1.257	50	5		DDBAMN
O=C(C=C(O)C1=C(O)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000033599763	352291057	/nfs/dbraw/zinc/29/10/57/352291057.db2.gz	WTYSXZBNUUPPEU-NSHDSACASA-N	0	1	318.285	1.431	50	5		DDBAMN
Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2	ZINC000020086537	406886175	/nfs/dbraw/zinc/88/61/75/406886175.db2.gz	BEPKYCBNLUGZNV-LBPRGKRZSA-N	0	1	312.285	1.995	50	5		DDBAMN
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032932564	406957179	/nfs/dbraw/zinc/95/71/79/406957179.db2.gz	JKYMKFYKYKLAGY-NXEZZACHSA-N	0	1	304.224	1.867	50	5		DDBAMN
COc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1	ZINC000330032702	410523762	/nfs/dbraw/zinc/52/37/62/410523762.db2.gz	RGVWUCVEHWNPDV-UHFFFAOYSA-N	0	1	324.318	1.503	50	5		DDBAMN
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1	ZINC000047249825	418454311	/nfs/dbraw/zinc/45/43/11/418454311.db2.gz	MCRXUZBZRJSKCR-NEPJUHHUSA-N	0	1	305.334	1.819	50	5		DDBAMN
NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005000156	181188224	/nfs/dbraw/zinc/18/82/24/181188224.db2.gz	YCJMCFQFHGOHSP-UHFFFAOYSA-N	0	1	321.314	1.495	50	5		DDBAMN
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005247350	181220958	/nfs/dbraw/zinc/22/09/58/181220958.db2.gz	YOEWOZKUGHLERD-GFCCVEGCSA-N	0	1	321.358	1.951	50	5		DDBAMN
Cc1nc(NC(=N)Nc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1C	ZINC000018148547	182095033	/nfs/dbraw/zinc/09/50/33/182095033.db2.gz	ZHJXVTVBIMXAPB-UHFFFAOYSA-N	0	1	302.294	1.754	50	5		DDBAMN
Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000003186670	406712460	/nfs/dbraw/zinc/71/24/60/406712460.db2.gz	NFVJJDIJKYOTTE-UHFFFAOYSA-N	0	1	309.303	1.683	50	5		DDBAMN
CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000067171676	407269244	/nfs/dbraw/zinc/26/92/44/407269244.db2.gz	YBQSJQYCPBQWKP-GXSJLCMTSA-N	0	1	311.725	1.693	50	5		DDBAMN
CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000067171675	407268709	/nfs/dbraw/zinc/26/87/09/407268709.db2.gz	YBQSJQYCPBQWKP-MWLCHTKSSA-N	0	1	311.725	1.693	50	5		DDBAMN
CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ncon2)c1[N+](=O)[O-]	ZINC000185698245	407479257	/nfs/dbraw/zinc/47/92/57/407479257.db2.gz	NASHLDPGSFZWKA-VIFPVBQESA-N	0	1	320.309	1.631	50	5		DDBAMN
O=C(c1ccn[nH]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072290003	191108393	/nfs/dbraw/zinc/10/83/93/191108393.db2.gz	KPMOJMCXJVRNRH-SECBINFHSA-N	0	1	302.294	1.040	50	5		DDBAMN
Cc1cc(N2CCC[C@H](CN3CCOCC3)C2)ncc1[N+](=O)[O-]	ZINC000074750771	353328526	/nfs/dbraw/zinc/32/85/26/353328526.db2.gz	JVSRBNDTMSYFTE-CQSZACIVSA-N	0	1	320.393	1.847	50	5		DDBAMN
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032932565	406957378	/nfs/dbraw/zinc/95/73/78/406957378.db2.gz	JKYMKFYKYKLAGY-VHSXEESVSA-N	0	1	304.224	1.867	50	5		DDBAMN
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000052992343	407162121	/nfs/dbraw/zinc/16/21/21/407162121.db2.gz	HWEIUQRIXPKKRB-ZIAGYGMSSA-N	0	1	323.393	1.339	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ccncc21	ZINC000025747313	275036176	/nfs/dbraw/zinc/03/61/76/275036176.db2.gz	KSVPWRRBWIIPLQ-UHFFFAOYSA-N	0	1	302.334	1.257	50	5		DDBAMN
O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000044467872	407024045	/nfs/dbraw/zinc/02/40/45/407024045.db2.gz	KQRFWZPZEDRKNB-FZMZJTMJSA-N	0	1	314.345	1.934	50	5		DDBAMN
O=c1[nH]n(-c2ccccc2)c(=O)n1Cc1cccc([N+](=O)[O-])c1	ZINC000007652746	406764107	/nfs/dbraw/zinc/76/41/07/406764107.db2.gz	LIFXZWQYFIYKAT-UHFFFAOYSA-N	0	1	312.285	1.696	50	5		DDBAMN
C[C@@H]1COCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000585092294	483920215	/nfs/dbraw/zinc/92/02/15/483920215.db2.gz	NYQIZHZEEMRKSH-GFCCVEGCSA-N	0	1	306.366	1.679	50	5		DDBAMN
COCCCNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1	ZINC000004839229	181160192	/nfs/dbraw/zinc/16/01/92/181160192.db2.gz	ABMRIVJIZPUBBJ-UHFFFAOYSA-N	0	1	322.365	1.089	50	5		DDBAMN
Nc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000004959806	181179657	/nfs/dbraw/zinc/17/96/57/181179657.db2.gz	XZGQKHHJWOMPKA-UHFFFAOYSA-N	0	1	320.334	1.280	50	5		DDBAMN
CC(C)CN1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000012780803	406852279	/nfs/dbraw/zinc/85/22/79/406852279.db2.gz	DTAPIMZDKHEYQP-HNNXBMFYSA-N	0	1	321.377	1.681	50	5		DDBAMN
O=[N+]([O-])c1c(N2CCC[C@H](c3nc[nH]n3)C2)nc2sccn21	ZINC000096452902	407268904	/nfs/dbraw/zinc/26/89/04/407268904.db2.gz	KQMSURGPIHGFPS-QMMMGPOBSA-N	0	1	319.350	1.806	50	5		DDBAMN
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])C1	ZINC000068029430	407293612	/nfs/dbraw/zinc/29/36/12/407293612.db2.gz	GLBHYCZAOCSYMW-XBFCOCLRSA-N	0	1	323.393	1.339	50	5		DDBAMN
CS(=O)(=O)N1CCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1	ZINC000095435711	185364872	/nfs/dbraw/zinc/36/48/72/185364872.db2.gz	YDSAISZVGIPCJN-CYBMUJFWSA-N	0	1	313.379	1.108	50	5		DDBAMN
Cn1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)n1	ZINC000004619210	181130052	/nfs/dbraw/zinc/13/00/52/181130052.db2.gz	BYRJVWYXXQKXCP-UHFFFAOYSA-N	0	1	321.318	1.161	50	5		DDBAMN
CCN1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	ZINC000004990242	181185859	/nfs/dbraw/zinc/18/58/59/181185859.db2.gz	SXVANKZQAUVDKG-UHFFFAOYSA-N	0	1	309.366	1.750	50	5		DDBAMN
COCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1	ZINC000071886533	406862959	/nfs/dbraw/zinc/86/29/59/406862959.db2.gz	PZGUGNBHXNCFAQ-LBPRGKRZSA-N	0	1	307.350	1.354	50	5		DDBAMN
Cc1nc2n(n1)C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2	ZINC000013691320	406866465	/nfs/dbraw/zinc/86/64/65/406866465.db2.gz	XSKSCZRVSOFUGN-SNVBAGLBSA-N	0	1	316.277	1.017	50	5		DDBAMN
CN(Cc1cnn(C)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000024482139	406892908	/nfs/dbraw/zinc/89/29/08/406892908.db2.gz	JOYOXQIZQDRBAG-UHFFFAOYSA-N	0	1	314.305	1.477	50	5		DDBAMN
COc1ccc(C2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1	ZINC000053772718	407173929	/nfs/dbraw/zinc/17/39/29/407173929.db2.gz	GFSKTBRKEWFLHZ-HUUCEWRRSA-N	0	1	302.330	1.976	50	5		DDBAMN
C[N@@H+](CC(=O)[O-])[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000191998849	408522132	/nfs/dbraw/zinc/52/21/32/408522132.db2.gz	QVSOFSCTFDPTCO-AWEZNQCLSA-N	0	1	321.377	1.966	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccccn2)n[nH]1	ZINC000071910169	406866421	/nfs/dbraw/zinc/86/64/21/406866421.db2.gz	QSZJHGXQNYATNQ-UHFFFAOYSA-N	0	1	303.307	1.660	50	5		DDBAMN
CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1	ZINC000239539198	222210470	/nfs/dbraw/zinc/21/04/70/222210470.db2.gz	AVUXGTAVPNLZIB-HZSPNIEDSA-N	0	1	320.345	1.851	50	5		DDBAMN
O=c1[nH]c(=O)n(Cc2csc(-c3ccco3)n2)cc1[N+](=O)[O-]	ZINC000071905447	406865777	/nfs/dbraw/zinc/86/57/77/406865777.db2.gz	XTYARICBAZZTRX-UHFFFAOYSA-N	0	1	320.286	1.210	50	5		DDBAMN
Cc1ccnc(N2CCC(c3nc(=O)[nH][nH]3)CC2)c1[N+](=O)[O-]	ZINC000225534527	278983932	/nfs/dbraw/zinc/98/39/32/278983932.db2.gz	QDUDJJCMGKFTJJ-UHFFFAOYSA-N	0	1	304.310	1.094	50	5		DDBAMN
Cc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1[N+](=O)[O-]	ZINC000013687049	406865572	/nfs/dbraw/zinc/86/55/72/406865572.db2.gz	BEMKZCMIPFTOCK-JTQLQIEISA-N	0	1	316.277	1.017	50	5		DDBAMN
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1CC1[N+](=O)[O-]	ZINC000077944573	407016379	/nfs/dbraw/zinc/01/63/79/407016379.db2.gz	IOAGGIGSQZJAPK-VHSXEESVSA-N	0	1	310.272	1.469	50	5		DDBAMN
Cc1ccc(C(=O)NCCCCN2CCOCC2)cc1[N+](=O)[O-]	ZINC000048286879	407094069	/nfs/dbraw/zinc/09/40/69/407094069.db2.gz	PIRXIDIPHGLQLJ-UHFFFAOYSA-N	0	1	321.377	1.745	50	5		DDBAMN
C[C@@H]1CCN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]2CCCC[C@H]12	ZINC000170652698	407467493	/nfs/dbraw/zinc/46/74/93/407467493.db2.gz	CUHULBFRFMWBLB-POQQGIQPSA-N	0	1	324.377	1.622	50	5		DDBAMN
CCCN1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	ZINC000032906207	276013121	/nfs/dbraw/zinc/01/31/21/276013121.db2.gz	HNBSZFMYPHFSGP-UHFFFAOYSA-N	0	1	317.349	1.135	50	5		DDBAMN
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000022078304	352175917	/nfs/dbraw/zinc/17/59/17/352175917.db2.gz	FKQRJXJILFLYQQ-WCQYABFASA-N	0	1	321.377	1.978	50	5		DDBAMN
COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000001515320	406670614	/nfs/dbraw/zinc/67/06/14/406670614.db2.gz	DEQDDHVXZUEETG-LLVKDONJSA-N	0	1	307.331	1.561	50	5		DDBAMN
COc1ccc(NC(=O)N2CCCN(C)CC2)c([N+](=O)[O-])c1	ZINC000032895370	406955387	/nfs/dbraw/zinc/95/53/87/406955387.db2.gz	XQDRWBZGBNYQLL-UHFFFAOYSA-N	0	1	308.338	1.773	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1	ZINC000229804049	201850385	/nfs/dbraw/zinc/85/03/85/201850385.db2.gz	SEGITSOJPQRWPK-JTNHKYCSSA-N	0	1	314.345	1.934	50	5		DDBAMN
COc1cccc(Nc2n[nH]c(-c3n[nH]cc3[N+](=O)[O-])n2)c1	ZINC000004625956	406727246	/nfs/dbraw/zinc/72/72/46/406727246.db2.gz	LTAVUEJZIJUPRS-UHFFFAOYSA-N	0	1	301.266	1.855	50	5		DDBAMN
CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CC3[N+](=O)[O-])c2O1	ZINC000044502479	407025150	/nfs/dbraw/zinc/02/51/50/407025150.db2.gz	HUQNOPKQHOBVBT-NWDGAFQWSA-N	0	1	320.345	1.560	50	5		DDBAMN
CNC(=O)[C@@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000069510018	406726371	/nfs/dbraw/zinc/72/63/71/406726371.db2.gz	YAFTURCQSDFKQQ-AWEZNQCLSA-N	0	1	307.350	1.574	50	5		DDBAMN
COc1ccc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc1	ZINC000053772716	407173922	/nfs/dbraw/zinc/17/39/22/407173922.db2.gz	GFSKTBRKEWFLHZ-GJZGRUSLSA-N	0	1	302.330	1.976	50	5		DDBAMN
C[C@@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1	ZINC000170613469	407455017	/nfs/dbraw/zinc/45/50/17/407455017.db2.gz	GERCMQIEIBWJAL-VXGBXAGGSA-N	0	1	322.365	1.514	50	5		DDBAMN
COC(=O)[C@@](O)(c1cc(C)c(O)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000034763303	406965893	/nfs/dbraw/zinc/96/58/93/406965893.db2.gz	WJLNJOXWYJRUDL-JTQLQIEISA-N	0	1	309.196	1.532	50	5		DDBAMN
C[C@@H]1CCN(C(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]2CCCC[C@H]12	ZINC000170652701	407467335	/nfs/dbraw/zinc/46/73/35/407467335.db2.gz	CUHULBFRFMWBLB-KSTCHIGDSA-N	0	1	324.377	1.622	50	5		DDBAMN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCOCC2)CC1	ZINC000175830812	408216957	/nfs/dbraw/zinc/21/69/57/408216957.db2.gz	VCDDMMOROGKSIJ-UHFFFAOYSA-N	0	1	319.361	1.532	50	5		DDBAMN
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC000047249827	418454869	/nfs/dbraw/zinc/45/48/69/418454869.db2.gz	MCRXUZBZRJSKCR-VXGBXAGGSA-N	0	1	305.334	1.819	50	5		DDBAMN
CC(C)(C[NH3+])[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000095432020	185363388	/nfs/dbraw/zinc/36/33/88/185363388.db2.gz	XNRIHCPMABTYKK-UHFFFAOYSA-N	0	1	307.759	1.264	50	5		DDBAMN
Cc1ccoc1CN[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000075092324	406921894	/nfs/dbraw/zinc/92/18/94/406921894.db2.gz	LPQYQBYKSPSSJT-UKRRQHHQSA-N	0	1	306.318	1.680	50	5		DDBAMN
CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000067171673	407268774	/nfs/dbraw/zinc/26/87/74/407268774.db2.gz	YBQSJQYCPBQWKP-KOLCDFICSA-N	0	1	311.725	1.693	50	5		DDBAMN
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000252678625	408807685	/nfs/dbraw/zinc/80/76/85/408807685.db2.gz	GLBHYCZAOCSYMW-MRVWCRGKSA-N	0	1	323.393	1.339	50	5		DDBAMN
Cc1nc(CN2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)n[nH]1	ZINC000095460569	293265536	/nfs/dbraw/zinc/26/55/36/293265536.db2.gz	XRTPHSQCCFMIHY-UHFFFAOYSA-N	0	1	317.353	1.047	50	5		DDBAMN
[NH3+]C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000097229425	295264201	/nfs/dbraw/zinc/26/42/01/295264201.db2.gz	PWRXCQIDMVLOHI-VIFPVBQESA-N	0	1	319.770	1.264	50	5		DDBAMN
O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)n1	ZINC000222083822	539265455	/nfs/dbraw/zinc/26/54/55/539265455.db2.gz	OGVCAEKPJCWQJN-WCBMZHEXSA-N	0	1	308.260	1.179	50	5		DDBAMN
Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-n2cccn2)n1	ZINC000092892343	185348406	/nfs/dbraw/zinc/34/84/06/185348406.db2.gz	XWXHTUNYQMHYMK-UHFFFAOYSA-N	0	1	311.305	1.765	50	5		DDBAMN
Cc1nc2n(n1)C(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	ZINC000020716318	182243648	/nfs/dbraw/zinc/24/36/48/182243648.db2.gz	KVJQQIXJFZELSJ-SNVBAGLBSA-N	0	1	316.277	1.017	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CC[C@@H](CN3CCOCC3)C2)c(F)c1	ZINC000096429718	407265096	/nfs/dbraw/zinc/26/50/96/407265096.db2.gz	CYSMWUBMVYTWKS-LBPRGKRZSA-N	0	1	309.341	1.892	50	5		DDBAMN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000044551510	418428855	/nfs/dbraw/zinc/42/88/55/418428855.db2.gz	HGPFCIBVTORZCE-YPMHNXCESA-N	0	1	303.318	1.947	50	5		DDBAMN
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000252587392	288316906	/nfs/dbraw/zinc/31/69/06/288316906.db2.gz	XWYDDLVIRDDWFG-AAEUAGOBSA-N	0	1	319.361	1.999	50	5		DDBAMN
CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1	ZINC000000346435	406643044	/nfs/dbraw/zinc/64/30/44/406643044.db2.gz	BQVYUQIDNMOXRH-LLVKDONJSA-N	0	1	307.350	1.818	50	5		DDBAMN
Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1	ZINC000015935188	406883026	/nfs/dbraw/zinc/88/30/26/406883026.db2.gz	VIPNUKLTFNHAAU-UHFFFAOYSA-N	0	1	315.333	1.589	50	5		DDBAMN
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000052992341	407161453	/nfs/dbraw/zinc/16/14/53/407161453.db2.gz	HWEIUQRIXPKKRB-KGLIPLIRSA-N	0	1	323.393	1.339	50	5		DDBAMN
O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@H](O)C(F)(F)F)n1	ZINC000097212793	407288529	/nfs/dbraw/zinc/28/85/29/407288529.db2.gz	OGVCAEKPJCWQJN-WPRPVWTQSA-N	0	1	308.260	1.179	50	5		DDBAMN
CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003371449	181012262	/nfs/dbraw/zinc/01/22/62/181012262.db2.gz	NGRKIBYTJYKNHK-GFCCVEGCSA-N	0	1	313.379	1.357	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000044467869	407024683	/nfs/dbraw/zinc/02/46/83/407024683.db2.gz	KQRFWZPZEDRKNB-RISCZKNCSA-N	0	1	314.345	1.934	50	5		DDBAMN
COc1ccc(C2=CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1	ZINC000053772714	407173572	/nfs/dbraw/zinc/17/35/72/407173572.db2.gz	GFSKTBRKEWFLHZ-CABCVRRESA-N	0	1	302.330	1.976	50	5		DDBAMN
Cc1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n[nH]1	ZINC000095460566	293265468	/nfs/dbraw/zinc/26/54/68/293265468.db2.gz	MGGBNZLYSSFCPG-UHFFFAOYSA-N	0	1	302.338	1.344	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1NCc1nc(-c2ccc(F)cc2)n[nH]1	ZINC000071858774	353193521	/nfs/dbraw/zinc/19/35/21/353193521.db2.gz	WUPFNLFYQPJPNF-UHFFFAOYSA-N	0	1	317.284	1.865	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1NCc1n[nH]c(-c2ccc(F)cc2)n1	ZINC000071858774	353193523	/nfs/dbraw/zinc/19/35/23/353193523.db2.gz	WUPFNLFYQPJPNF-UHFFFAOYSA-N	0	1	317.284	1.865	50	5		DDBAMN
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000043164449	352362903	/nfs/dbraw/zinc/36/29/03/352362903.db2.gz	FKQRJXJILFLYQQ-DGCLKSJQSA-N	0	1	321.377	1.978	50	5		DDBAMN
O=[N+]([O-])c1ccc(OCCNc2ncnc3[nH]cnc32)cc1	ZINC000068767473	406662697	/nfs/dbraw/zinc/66/26/97/406662697.db2.gz	UVGSBIROKBYJPI-UHFFFAOYSA-N	0	1	300.278	1.752	50	5		DDBAMN
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1	ZINC000001530729	406672923	/nfs/dbraw/zinc/67/29/23/406672923.db2.gz	VMXUWOKSQNHOCA-LCYFTJDESA-N	0	1	314.411	1.459	50	5	in-man	DDBAMN
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000097097321	407279811	/nfs/dbraw/zinc/27/98/11/407279811.db2.gz	VYQBZXFRUPYCSK-YPMHNXCESA-N	0	1	319.361	1.999	50	5		DDBAMN
CCN1C[C@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])Oc2ccccc21	ZINC000048364754	418470912	/nfs/dbraw/zinc/47/09/12/418470912.db2.gz	BBCCMERGBBIIHZ-SCRDCRAPSA-N	0	1	319.361	1.398	50	5		DDBAMN
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(C)C(=S)N2C)c1O	ZINC000016226072	277389572	/nfs/dbraw/zinc/38/95/72/277389572.db2.gz	LQLUDOIONSJJJL-UITAMQMPSA-N	0	1	323.330	1.339	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1Cn1cnc2ccccc21	ZINC000089878667	407155696	/nfs/dbraw/zinc/15/56/96/407155696.db2.gz	BMYRNXSILSAQLG-JMSVASOKSA-N	0	1	314.345	1.693	50	5		DDBAMN
CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000142007058	408180644	/nfs/dbraw/zinc/18/06/44/408180644.db2.gz	JCWPKBPRODWUKF-CYBMUJFWSA-N	0	1	313.379	1.213	50	5		DDBAMN
O=C([C@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1	ZINC000047271809	418454944	/nfs/dbraw/zinc/45/49/44/418454944.db2.gz	CTFQIHNNPMCQJZ-GXFFZTMASA-N	0	1	309.753	1.654	50	5		DDBAMN
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000055452785	407202753	/nfs/dbraw/zinc/20/27/53/407202753.db2.gz	CBCWMCXOKZMPJX-KGLIPLIRSA-N	0	1	322.336	1.655	50	5		DDBAMN
O=c1[nH]c(=O)n(CCCOc2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000075612009	353372133	/nfs/dbraw/zinc/37/21/33/353372133.db2.gz	YPZACLZPGDBJEC-UHFFFAOYSA-N	0	1	309.253	1.053	50	5		DDBAMN
COCCN1CC[C@@H](NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1	ZINC000089365321	407131778	/nfs/dbraw/zinc/13/17/78/407131778.db2.gz	PECXWRJBLLSZGI-GFCCVEGCSA-N	0	1	322.365	1.461	50	5		DDBAMN
CN1CCN(C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000042543756	183283499	/nfs/dbraw/zinc/28/34/99/183283499.db2.gz	USSNHBHEUIGJEG-UHFFFAOYSA-N	0	1	320.393	1.351	50	5		DDBAMN
CCC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000095972669	407219660	/nfs/dbraw/zinc/21/96/60/407219660.db2.gz	LZVQDMUDVRBFBK-QMMMGPOBSA-N	0	1	321.786	1.654	50	5		DDBAMN
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-]	ZINC000242183860	222211761	/nfs/dbraw/zinc/21/17/61/222211761.db2.gz	XCMJLJXOHPFWMK-MXWKQRLJSA-N	0	1	319.144	1.808	50	5		DDBAMN
Cc1ncsc1CN[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000085324910	484003072	/nfs/dbraw/zinc/00/30/72/484003072.db2.gz	XVEQBJGQKAZZSH-JSGCOSHPSA-N	0	1	323.374	1.544	50	5		DDBAMN
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1	ZINC000065491333	184353883	/nfs/dbraw/zinc/35/38/83/184353883.db2.gz	IKRVZCJCVFNPDY-SNVBAGLBSA-N	0	1	313.379	1.356	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000229797408	407671763	/nfs/dbraw/zinc/67/17/63/407671763.db2.gz	GYJQTSBVQZWZCD-KFWWJZLASA-N	0	1	304.346	1.624	50	5		DDBAMN
Cc1c(CC(=O)N2[C@H](C)CN(C)C[C@H]2C)cccc1[N+](=O)[O-]	ZINC000155176340	197029480	/nfs/dbraw/zinc/02/94/80/197029480.db2.gz	NNIXREODFAJZMK-VXGBXAGGSA-N	0	1	305.378	1.997	50	5		DDBAMN
CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CC3[N+](=O)[O-])c2O1	ZINC000044502473	407025516	/nfs/dbraw/zinc/02/55/16/407025516.db2.gz	HUQNOPKQHOBVBT-NEPJUHHUSA-N	0	1	320.345	1.560	50	5		DDBAMN
O=c1c2cc3c(ccn(C4CC4)c3=O)nc2ccn1-c1nnc[nH]1	ZINC000040287290	407002749	/nfs/dbraw/zinc/00/27/49/407002749.db2.gz	LBGAKIJHSJIVOR-UHFFFAOYSA-N	0	1	320.312	1.154	50	5		DDBAMN
C[C@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1	ZINC000225405916	407579484	/nfs/dbraw/zinc/57/94/84/407579484.db2.gz	GERCMQIEIBWJAL-NEPJUHHUSA-N	0	1	322.365	1.514	50	5		DDBAMN
O=C([C@@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000225627616	186284571	/nfs/dbraw/zinc/28/45/71/186284571.db2.gz	UZWGFQVZQATSBH-HNNXBMFYSA-N	0	1	316.361	1.501	50	5		DDBAMN
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1O)c1cccnc1	ZINC000004888329	181168816	/nfs/dbraw/zinc/16/88/16/181168816.db2.gz	BOEBZTUNNWPQJV-UHFFFAOYSA-N	0	1	318.314	1.822	50	5		DDBAMN
O=C1NCCN1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000052216197	407149172	/nfs/dbraw/zinc/14/91/72/407149172.db2.gz	BKWJZVKWLKRTTF-UHFFFAOYSA-N	0	1	304.350	1.584	50	5		DDBAMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2ncnn21	ZINC000013691820	406865990	/nfs/dbraw/zinc/86/59/90/406865990.db2.gz	LSEMNRXGTVGFLV-JTQLQIEISA-N	0	1	316.277	1.017	50	5		DDBAMN
O=[N+]([O-])c1c(N2CCC[C@@H](c3nc[nH]n3)C2)nc2sccn21	ZINC000096452903	407269181	/nfs/dbraw/zinc/26/91/81/407269181.db2.gz	KQMSURGPIHGFPS-MRVPVSSYSA-N	0	1	319.350	1.806	50	5		DDBAMN
COc1cc(C(=O)NCc2cn[nH]c2C)cc([N+](=O)[O-])c1C	ZINC000170611048	407455330	/nfs/dbraw/zinc/45/53/30/407455330.db2.gz	SMMSLFSOQGDFCV-UHFFFAOYSA-N	0	1	304.306	1.873	50	5		DDBAMN
O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CC1[N+](=O)[O-]	ZINC000058380513	184110642	/nfs/dbraw/zinc/11/06/42/184110642.db2.gz	JKHHKJKHAHQLKC-HUBLWGQQSA-N	0	1	318.329	1.690	50	5		DDBAMN
Cc1nc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cs1	ZINC000097162588	407284274	/nfs/dbraw/zinc/28/42/74/407284274.db2.gz	UCHQLLLKQBGWTL-UHFFFAOYSA-N	0	1	319.389	1.900	50	5		DDBAMN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1nc(=O)[nH][nH]1	ZINC000170088538	408820304	/nfs/dbraw/zinc/82/03/04/408820304.db2.gz	XHQKWJGEBBHJRZ-VIFPVBQESA-N	0	1	319.321	1.422	50	5		DDBAMN
CCN1C[C@H](CN(C)C(=O)[C@H]2CC2[N+](=O)[O-])Oc2ccccc21	ZINC000239591360	222210507	/nfs/dbraw/zinc/21/05/07/222210507.db2.gz	BBCCMERGBBIIHZ-OBJOEFQTSA-N	0	1	319.361	1.398	50	5		DDBAMN
O=C(NCc1cc(Cl)cc2c1OCC2)c1n[nH]cc1[N+](=O)[O-]	ZINC000097375056	407292446	/nfs/dbraw/zinc/29/24/46/407292446.db2.gz	VXCIEDPLSPQWCJ-UHFFFAOYSA-N	0	1	322.708	1.836	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3[nH]2)C1	ZINC000045054820	418436374	/nfs/dbraw/zinc/43/63/74/418436374.db2.gz	SEGITSOJPQRWPK-GYSYKLTISA-N	0	1	314.345	1.934	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1	ZINC000047271806	418455175	/nfs/dbraw/zinc/45/51/75/418455175.db2.gz	CTFQIHNNPMCQJZ-MFKMUULPSA-N	0	1	309.753	1.654	50	5		DDBAMN
[NH3+]C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000095432125	295264276	/nfs/dbraw/zinc/26/42/76/295264276.db2.gz	CLFAHQMXTKDDNV-VIFPVBQESA-N	0	1	319.770	1.264	50	5		DDBAMN
O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1	ZINC000222083764	539265362	/nfs/dbraw/zinc/26/53/62/539265362.db2.gz	OGVCAEKPJCWQJN-PSASIEDQSA-N	0	1	308.260	1.179	50	5		DDBAMN
COC(=O)C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000004275482	406723514	/nfs/dbraw/zinc/72/35/14/406723514.db2.gz	ZDSHKLYGWOAHJZ-FQEVSTJZSA-N	0	1	311.237	1.894	50	5		DDBAMN
O=C([C@H]1CCCN1C1CC1)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000225627639	407597537	/nfs/dbraw/zinc/59/75/37/407597537.db2.gz	UZWGFQVZQATSBH-OAHLLOKOSA-N	0	1	316.361	1.501	50	5		DDBAMN
COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000000132864	406624079	/nfs/dbraw/zinc/62/40/79/406624079.db2.gz	PYIQYGGHLDLQGJ-LBPRGKRZSA-N	0	1	315.289	1.648	50	5		DDBAMN
CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002512854	406691093	/nfs/dbraw/zinc/69/10/93/406691093.db2.gz	OEJPKGAXPXTNNE-UHFFFAOYSA-N	0	1	307.759	1.088	50	5		DDBAMN
Cc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])C1=C(COC1=O)N2	ZINC000020086539	293126534	/nfs/dbraw/zinc/12/65/34/293126534.db2.gz	BEPKYCBNLUGZNV-GFCCVEGCSA-N	0	1	312.285	1.995	50	5		DDBAMN
CC(C)CN1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000024765160	182390840	/nfs/dbraw/zinc/39/08/40/182390840.db2.gz	VAHAKCYBGVAFLK-OAHLLOKOSA-N	0	1	321.377	1.681	50	5		DDBAMN
Cn1cccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000095449380	185368337	/nfs/dbraw/zinc/36/83/37/185368337.db2.gz	VZYJYTBBDLFYJN-UHFFFAOYSA-N	0	1	312.289	1.971	50	5		DDBAMN
O=[N+]([O-])c1cnn(CCSc2nc(-c3cccnc3)n[nH]2)c1	ZINC000074783331	191360498	/nfs/dbraw/zinc/36/04/98/191360498.db2.gz	LQYNWIZWNKDOTA-UHFFFAOYSA-N	0	1	317.334	1.764	50	5		DDBAMN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000044551512	418429424	/nfs/dbraw/zinc/42/94/24/418429424.db2.gz	HGPFCIBVTORZCE-AAEUAGOBSA-N	0	1	303.318	1.947	50	5		DDBAMN
CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2[N+](=O)[O-])cc1	ZINC000005799579	181285284	/nfs/dbraw/zinc/28/52/84/181285284.db2.gz	MDRMYWYIWMWOIX-UHFFFAOYSA-N	0	1	304.262	1.747	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1C(=O)Nc2ncnn21	ZINC000020745070	182245893	/nfs/dbraw/zinc/24/58/93/182245893.db2.gz	OZEWNVJOBXCJGQ-JTQLQIEISA-N	0	1	316.277	1.017	50	5		DDBAMN
O=[N+]([O-])c1cc(I)cc(C2=NCCN2)c1	ZINC000003163596	285096621	/nfs/dbraw/zinc/09/66/21/285096621.db2.gz	FJYYTWZMQQICHX-UHFFFAOYSA-N	0	1	317.086	1.549	50	5		DDBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1c[nH]nn1	ZINC000267312402	407830581	/nfs/dbraw/zinc/83/05/81/407830581.db2.gz	DJERVJZGSLZJAX-SSDOTTSWSA-N	0	1	323.334	1.841	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCc3ccncc3)CC2)cn1	ZINC000026481263	406905041	/nfs/dbraw/zinc/90/50/41/406905041.db2.gz	QZXBIVXDDIZIFN-UHFFFAOYSA-N	0	1	313.361	1.750	50	5		DDBAMN
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000097097832	290243398	/nfs/dbraw/zinc/24/33/98/290243398.db2.gz	DNNGPTGDVPUIIW-RISCZKNCSA-N	0	1	319.361	1.857	50	5		DDBAMN
CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	ZINC000096419327	407263245	/nfs/dbraw/zinc/26/32/45/407263245.db2.gz	ARFVLWKFXNYFHO-VHSXEESVSA-N	0	1	310.354	1.902	50	5		DDBAMN
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000045059889	418435765	/nfs/dbraw/zinc/43/57/65/418435765.db2.gz	KQKZRSYGBGNFBK-KBPBESRZSA-N	0	1	318.329	1.479	50	5		DDBAMN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000097229426	193694650	/nfs/dbraw/zinc/69/46/50/193694650.db2.gz	PWRXCQIDMVLOHI-SECBINFHSA-N	0	1	319.770	1.264	50	5		DDBAMN
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1C(=O)CCC1=O	ZINC000058250881	184095636	/nfs/dbraw/zinc/09/56/36/184095636.db2.gz	MHIUELZWAYSGRP-LLVKDONJSA-N	0	1	305.334	1.737	50	5		DDBAMN
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000043164447	352362871	/nfs/dbraw/zinc/36/28/71/352362871.db2.gz	FKQRJXJILFLYQQ-AAEUAGOBSA-N	0	1	321.377	1.978	50	5		DDBAMN
O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000071883035	406860809	/nfs/dbraw/zinc/86/08/09/406860809.db2.gz	FYGOPLWBHSLLPV-BREBYQMCSA-N	0	1	311.288	1.325	50	5		DDBAMN
COCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)C1	ZINC000071886532	406862644	/nfs/dbraw/zinc/86/26/44/406862644.db2.gz	PZGUGNBHXNCFAQ-GFCCVEGCSA-N	0	1	307.350	1.354	50	5		DDBAMN
O=[N+]([O-])c1ccc(CCN2CCN(C[C@@H]3CCCO3)CC2)cc1	ZINC000071907935	406866878	/nfs/dbraw/zinc/86/68/78/406866878.db2.gz	FNRHAMBRUGLUQW-KRWDZBQOSA-N	0	1	319.405	1.934	50	5		DDBAMN
COC(=O)[C@](O)(c1cc(C)c(O)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000034763299	406964141	/nfs/dbraw/zinc/96/41/41/406964141.db2.gz	WJLNJOXWYJRUDL-SNVBAGLBSA-N	0	1	309.196	1.532	50	5		DDBAMN
CCc1nnc(Cn2cc(Br)c([N+](=O)[O-])n2)[nH]1	ZINC000195568306	407468957	/nfs/dbraw/zinc/46/89/57/407468957.db2.gz	BYBPNPCJTUHTBH-UHFFFAOYSA-N	0	1	301.104	1.283	50	5		DDBAMN
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1	ZINC000045059891	418435882	/nfs/dbraw/zinc/43/58/82/418435882.db2.gz	KQKZRSYGBGNFBK-ZIAGYGMSSA-N	0	1	318.329	1.479	50	5		DDBAMN
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1	ZINC000047249826	418454545	/nfs/dbraw/zinc/45/45/45/418454545.db2.gz	MCRXUZBZRJSKCR-RYUDHWBXSA-N	0	1	305.334	1.819	50	5		DDBAMN
O=C(CC1(C(F)(F)F)NCCN1)c1cccc([N+](=O)[O-])c1	ZINC000019323883	182115937	/nfs/dbraw/zinc/11/59/37/182115937.db2.gz	KPJLSLWUJGSAKU-UHFFFAOYSA-N	0	1	303.240	1.619	50	5		DDBAMN
COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000058424355	184116217	/nfs/dbraw/zinc/11/62/17/184116217.db2.gz	LCWDAVJEVJXZMP-ZYHUDNBSSA-N	0	1	319.317	1.426	50	5		DDBAMN
Cc1ccc(NCCCNC(=O)c2cnn[nH]2)c([N+](=O)[O-])c1	ZINC000072292410	406879644	/nfs/dbraw/zinc/87/96/44/406879644.db2.gz	RKWPVEUHFKKJIZ-UHFFFAOYSA-N	0	1	304.310	1.253	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000044383207	407022848	/nfs/dbraw/zinc/02/28/48/407022848.db2.gz	FBXZUWIEIZAUPJ-WQAKAFBOSA-N	0	1	300.318	1.892	50	5		DDBAMN
CN1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1	ZINC000095367648	407209576	/nfs/dbraw/zinc/20/95/76/407209576.db2.gz	WDBMCFQJCUMNKJ-ZDUSSCGKSA-N	0	1	318.377	1.993	50	5		DDBAMN
CCN1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000097299769	407290825	/nfs/dbraw/zinc/29/08/25/407290825.db2.gz	TYJDZQGAGGRXTO-XQRVVYSFSA-N	0	1	307.325	1.911	50	5		DDBAMN
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1nc(=O)[nH][nH]1	ZINC000170088541	408820145	/nfs/dbraw/zinc/82/01/45/408820145.db2.gz	XHQKWJGEBBHJRZ-SECBINFHSA-N	0	1	319.321	1.422	50	5		DDBAMN
Cc1c(CC(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000155176224	197029794	/nfs/dbraw/zinc/02/97/94/197029794.db2.gz	NNIXREODFAJZMK-RYUDHWBXSA-N	0	1	305.378	1.997	50	5		DDBAMN
CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCOC1	ZINC000071908289	406866813	/nfs/dbraw/zinc/86/68/13/406866813.db2.gz	UGWSAMBQNAZAEB-LBPRGKRZSA-N	0	1	307.350	1.892	50	5		DDBAMN
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CC1[N+](=O)[O-]	ZINC000032932562	406957604	/nfs/dbraw/zinc/95/76/04/406957604.db2.gz	JKYMKFYKYKLAGY-ZJUUUORDSA-N	0	1	304.224	1.867	50	5		DDBAMN
O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@H](O)C(F)(F)F)n1	ZINC000097212792	407288535	/nfs/dbraw/zinc/28/85/35/407288535.db2.gz	OGVCAEKPJCWQJN-SCZZXKLOSA-N	0	1	308.260	1.179	50	5		DDBAMN
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005247355	181220945	/nfs/dbraw/zinc/22/09/45/181220945.db2.gz	YOEWOZKUGHLERD-LBPRGKRZSA-N	0	1	321.358	1.951	50	5		DDBAMN
CC(=O)Nc1nc(C=Cc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	ZINC000006186224	406734860	/nfs/dbraw/zinc/73/48/60/406734860.db2.gz	QLBNKEUTVROJEK-BQYQJAHWSA-N	0	1	300.274	1.807	50	5		DDBAMN
CC[C@@H](O)CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	ZINC000084733550	483999322	/nfs/dbraw/zinc/99/93/22/483999322.db2.gz	YJIVJRTVUXKARS-GFCCVEGCSA-N	0	1	319.365	1.135	50	5		DDBAMN
CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000599102497	357816163	/nfs/dbraw/zinc/81/61/63/357816163.db2.gz	OMPPOEULGDMLDH-LBPRGKRZSA-N	0	1	313.379	1.213	50	5		DDBAMN
Cc1nc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000071882341	406860696	/nfs/dbraw/zinc/86/06/96/406860696.db2.gz	TYGPUJWBYYMGDW-QMMMGPOBSA-N	0	1	321.362	1.818	50	5		DDBAMN
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000077944564	407016402	/nfs/dbraw/zinc/01/64/02/407016402.db2.gz	IOAGGIGSQZJAPK-NXEZZACHSA-N	0	1	310.272	1.469	50	5		DDBAMN
CN1CCN(C[C@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1	ZINC000095351535	407207912	/nfs/dbraw/zinc/20/79/12/407207912.db2.gz	GTBLNUSVJKGJLP-AWEZNQCLSA-N	0	1	320.393	1.047	50	5		DDBAMN
Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCC1	ZINC000000017349	274666555	/nfs/dbraw/zinc/66/65/55/274666555.db2.gz	WPTFOEGLXOPQJT-UHFFFAOYSA-N	0	1	304.306	1.029	50	5	in-vitro	DDBAMN
CN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000125679	282337322	/nfs/dbraw/zinc/33/73/22/282337322.db2.gz	QOUWQLUSDCMQLW-UHFFFAOYSA-N	0	1	313.379	1.310	50	5		DDBAMN
Cc1c(CC(=O)N2[C@H](C)CN(C)C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000155176116	197029900	/nfs/dbraw/zinc/02/99/00/197029900.db2.gz	NNIXREODFAJZMK-TXEJJXNPSA-N	0	1	305.378	1.997	50	5		DDBAMN
Cc1nc2n(n1)C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2	ZINC000013691321	406866482	/nfs/dbraw/zinc/86/64/82/406866482.db2.gz	XSKSCZRVSOFUGN-JTQLQIEISA-N	0	1	316.277	1.017	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1	ZINC000047271808	418454855	/nfs/dbraw/zinc/45/48/55/418454855.db2.gz	CTFQIHNNPMCQJZ-ZWNOBZJWSA-N	0	1	309.753	1.654	50	5		DDBAMN
Cn1nc([N+](=O)[O-])nc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000000544310	406656762	/nfs/dbraw/zinc/65/67/62/406656762.db2.gz	KZDUITOJWHUFHU-UHFFFAOYSA-N	0	1	303.307	1.660	50	5		DDBAMN
CCC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000095972670	407219455	/nfs/dbraw/zinc/21/94/55/407219455.db2.gz	LZVQDMUDVRBFBK-MRVPVSSYSA-N	0	1	321.786	1.654	50	5		DDBAMN
CNC(=O)[C@H](Cc1cnc[nH]1)Nc1ncc(Cl)cc1[N+](=O)[O-]	ZINC000952883597	775644542	/nfs/dbraw/zinc/64/45/42/775644542.db2.gz	VKTOXAKIYXDBPI-VIFPVBQESA-N	0	1	324.728	1.136	50	5		DDBAMN
Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	ZINC000005533824	181254557	/nfs/dbraw/zinc/25/45/57/181254557.db2.gz	KFXOEUAFASUKDH-UHFFFAOYSA-N	0	1	309.303	1.683	50	5		DDBAMN
CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CC3[N+](=O)[O-])c2O1	ZINC000044502477	407025640	/nfs/dbraw/zinc/02/56/40/407025640.db2.gz	HUQNOPKQHOBVBT-VXGBXAGGSA-N	0	1	320.345	1.560	50	5		DDBAMN
CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000067171674	407268789	/nfs/dbraw/zinc/26/87/89/407268789.db2.gz	YBQSJQYCPBQWKP-ONGXEEELSA-N	0	1	311.725	1.693	50	5		DDBAMN
O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CC1[N+](=O)[O-]	ZINC000106869752	407363690	/nfs/dbraw/zinc/36/36/90/407363690.db2.gz	FYGOPLWBHSLLPV-GIPNMCIBSA-N	0	1	311.288	1.325	50	5		DDBAMN
CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000599102496	357815872	/nfs/dbraw/zinc/81/58/72/357815872.db2.gz	OMPPOEULGDMLDH-GFCCVEGCSA-N	0	1	313.379	1.213	50	5		DDBAMN
Cc1nc2n(n1)C(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	ZINC000020716325	182243413	/nfs/dbraw/zinc/24/34/13/182243413.db2.gz	KVJQQIXJFZELSJ-JTQLQIEISA-N	0	1	316.277	1.017	50	5		DDBAMN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(N)=O)C1	ZINC000069567955	184526795	/nfs/dbraw/zinc/52/67/95/184526795.db2.gz	PAMXOKKSEFGGSW-NSHDSACASA-N	0	1	307.350	1.689	50	5		DDBAMN
C[C@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1	ZINC000230288646	407684695	/nfs/dbraw/zinc/68/46/95/407684695.db2.gz	GERCMQIEIBWJAL-RYUDHWBXSA-N	0	1	322.365	1.514	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1	ZINC000048264314	418467951	/nfs/dbraw/zinc/46/79/51/418467951.db2.gz	GYJQTSBVQZWZCD-QLFBSQMISA-N	0	1	304.346	1.624	50	5		DDBAMN
CCN1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000069419047	406708294	/nfs/dbraw/zinc/70/82/94/406708294.db2.gz	SGPNGECWXQKUDI-SNVBAGLBSA-N	0	1	310.329	1.530	50	5		DDBAMN
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC1[N+](=O)[O-]	ZINC000052992344	407161739	/nfs/dbraw/zinc/16/17/39/407161739.db2.gz	HWEIUQRIXPKKRB-UONOGXRCSA-N	0	1	323.393	1.339	50	5		DDBAMN
Cc1ncsc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000085324906	484004085	/nfs/dbraw/zinc/00/40/85/484004085.db2.gz	XVEQBJGQKAZZSH-GXTWGEPZSA-N	0	1	323.374	1.544	50	5		DDBAMN
O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1CC1[N+](=O)[O-]	ZINC000052901894	407160991	/nfs/dbraw/zinc/16/09/91/407160991.db2.gz	NURKREYWLBYVGS-RYUDHWBXSA-N	0	1	310.281	1.016	50	5		DDBAMN
C[C@@H](NC(=O)N(C)Cc1nnc[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000225854032	407609839	/nfs/dbraw/zinc/60/98/39/407609839.db2.gz	VMKHDGUIGMEGSH-SECBINFHSA-N	0	1	304.310	1.616	50	5		DDBAMN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000044551514	418429208	/nfs/dbraw/zinc/42/92/08/418429208.db2.gz	HGPFCIBVTORZCE-DGCLKSJQSA-N	0	1	303.318	1.947	50	5		DDBAMN
Cc1ccnc(N2CCC(N3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-]	ZINC000585092270	483920002	/nfs/dbraw/zinc/92/00/02/483920002.db2.gz	MNEDUVXBQZXWIV-ZDUSSCGKSA-N	0	1	320.393	1.988	50	5		DDBAMN
CCN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000069595418	406739157	/nfs/dbraw/zinc/73/91/57/406739157.db2.gz	TYJDZQGAGGRXTO-GQCTYLIASA-N	0	1	307.325	1.911	50	5		DDBAMN
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000170599185	288310164	/nfs/dbraw/zinc/31/01/64/288310164.db2.gz	XWYDDLVIRDDWFG-WCQYABFASA-N	0	1	319.361	1.999	50	5		DDBAMN
C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1	ZINC000023509317	182362312	/nfs/dbraw/zinc/36/23/12/182362312.db2.gz	MZHDCDLFIPHOSD-STQMWFEESA-N	0	1	321.377	1.824	50	5		DDBAMN
COc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)OCCO2	ZINC000026933731	406906647	/nfs/dbraw/zinc/90/66/47/406906647.db2.gz	DFCBTNNSOWQKKL-UHFFFAOYSA-N	0	1	308.334	1.942	50	5		DDBAMN
COc1cc(N2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-]	ZINC000096453195	407269333	/nfs/dbraw/zinc/26/93/33/407269333.db2.gz	SIHGKGLCWBDIHS-AWEZNQCLSA-N	0	1	321.377	1.904	50	5		DDBAMN
CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncon2)c1[N+](=O)[O-]	ZINC000185698225	407477703	/nfs/dbraw/zinc/47/77/03/407477703.db2.gz	NASHLDPGSFZWKA-SECBINFHSA-N	0	1	320.309	1.631	50	5		DDBAMN
O=C(NCc1nc2ccc(F)cc2[nH]1)c1c[nH]nc1[N+](=O)[O-]	ZINC000170617955	407456650	/nfs/dbraw/zinc/45/66/50/407456650.db2.gz	PAJWGCMZKIEHOO-UHFFFAOYSA-N	0	1	304.241	1.263	50	5		DDBAMN
O=C1NC(=O)C2(COC(c3ccc([N+](=O)[O-])cc3)OC2)S1	ZINC000004428041	284860139	/nfs/dbraw/zinc/86/01/39/284860139.db2.gz	ASFSTNQRKVYNKB-UHFFFAOYSA-N	0	1	310.287	1.362	50	5		DDBAMN
COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000000132861	406622596	/nfs/dbraw/zinc/62/25/96/406622596.db2.gz	PYIQYGGHLDLQGJ-GFCCVEGCSA-N	0	1	315.289	1.648	50	5		DDBAMN
O=[N+]([O-])c1ccc(CCN2CCN(C[C@H]3CCCO3)CC2)cc1	ZINC000071907936	406866809	/nfs/dbraw/zinc/86/68/09/406866809.db2.gz	FNRHAMBRUGLUQW-QGZVFWFLSA-N	0	1	319.405	1.934	50	5		DDBAMN
O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1CC1[N+](=O)[O-]	ZINC000052901898	407160667	/nfs/dbraw/zinc/16/06/67/407160667.db2.gz	NURKREYWLBYVGS-NWDGAFQWSA-N	0	1	310.281	1.016	50	5		DDBAMN
O=C(NCCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000048286102	407093834	/nfs/dbraw/zinc/09/38/34/407093834.db2.gz	RCMNLCBGLYPWFL-UHFFFAOYSA-N	0	1	307.350	1.437	50	5		DDBAMN
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1	ZINC000047249828	418454374	/nfs/dbraw/zinc/45/43/74/418454374.db2.gz	MCRXUZBZRJSKCR-NWDGAFQWSA-N	0	1	305.334	1.819	50	5		DDBAMN
Cc1ccnc(N2CCC(N3CCOC[C@H]3C)CC2)c1[N+](=O)[O-]	ZINC000585092269	483920741	/nfs/dbraw/zinc/92/07/41/483920741.db2.gz	MNEDUVXBQZXWIV-CYBMUJFWSA-N	0	1	320.393	1.988	50	5		DDBAMN
Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)cc([N+](=O)[O-])c1	ZINC000194293334	186278276	/nfs/dbraw/zinc/27/82/76/186278276.db2.gz	ZJTUJFIWRMMYLU-UHFFFAOYSA-N	0	1	301.306	1.831	50	5		DDBAMN
Cc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1	ZINC000097161674	407283911	/nfs/dbraw/zinc/28/39/11/407283911.db2.gz	KWBXHNQVKZQPRN-UHFFFAOYSA-N	0	1	317.348	1.740	50	5		DDBAMN
Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)cc([N+](=O)[O-])c1	ZINC000124015163	407345637	/nfs/dbraw/zinc/34/56/37/407345637.db2.gz	QMYYGVAYJMDORB-SECBINFHSA-N	0	1	304.310	1.292	50	5		DDBAMN
CCOC(=O)CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000005709447	352115518	/nfs/dbraw/zinc/11/55/18/352115518.db2.gz	KWZAEECLDGADQH-UHFFFAOYSA-N	0	1	312.322	1.655	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCCc3cn[nH]c3)CC2)nc1	ZINC000072597574	191199447	/nfs/dbraw/zinc/19/94/47/191199447.db2.gz	DCSQMCVZIJQKIL-UHFFFAOYSA-N	0	1	316.365	1.468	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@H](O)c2ccccc2)CC1	ZINC000106096679	194185749	/nfs/dbraw/zinc/18/57/49/194185749.db2.gz	GYJQTSBVQZWZCD-RBSFLKMASA-N	0	1	304.346	1.624	50	5		DDBAMN
CCN1C[C@H](CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])Oc2ccccc21	ZINC000239591361	222210475	/nfs/dbraw/zinc/21/04/75/222210475.db2.gz	BBCCMERGBBIIHZ-OUCADQQQSA-N	0	1	319.361	1.398	50	5		DDBAMN
COC[C@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000079091128	185156462	/nfs/dbraw/zinc/15/64/62/185156462.db2.gz	JGDNBOXLTBIROV-NSHDSACASA-N	0	1	307.350	1.552	50	5		DDBAMN
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1	ZINC000089949593	185270977	/nfs/dbraw/zinc/27/09/77/185270977.db2.gz	LCUIRFSOFFDINM-LLVKDONJSA-N	0	1	304.310	1.308	50	5		DDBAMN
Cc1nn(C)c(Sc2nc(-c3ccncc3)n[nH]2)c1[N+](=O)[O-]	ZINC000095397320	185353364	/nfs/dbraw/zinc/35/33/64/185353364.db2.gz	IZXIBQAUTAVGSH-UHFFFAOYSA-N	0	1	317.334	1.968	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2[nH]1	ZINC000106526802	194225030	/nfs/dbraw/zinc/22/50/30/194225030.db2.gz	FBXZUWIEIZAUPJ-OASPWFOLSA-N	0	1	300.318	1.892	50	5		DDBAMN
CCCCOc1ccc(CN(CCO)CCO)cc1[N+](=O)[O-]	ZINC000001820502	406677064	/nfs/dbraw/zinc/67/70/64/406677064.db2.gz	XPMLAXMTIKVZNU-UHFFFAOYSA-N	0	1	312.366	1.560	50	5		DDBAMN
CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1n[nH]c(C)n1	ZINC000096446834	407267717	/nfs/dbraw/zinc/26/77/17/407267717.db2.gz	GULYHWPNIWHGGS-GFCCVEGCSA-N	0	1	303.322	1.831	50	5		DDBAMN
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1	ZINC000065491329	184353684	/nfs/dbraw/zinc/35/36/84/184353684.db2.gz	IKRVZCJCVFNPDY-JTQLQIEISA-N	0	1	313.379	1.356	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000044467875	407024177	/nfs/dbraw/zinc/02/41/77/407024177.db2.gz	KQRFWZPZEDRKNB-BXUZGUMPSA-N	0	1	314.345	1.934	50	5		DDBAMN
CN(Cc1nnc[nH]1)C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000284149706	409285431	/nfs/dbraw/zinc/28/54/31/409285431.db2.gz	RKIXPXQAIPMVCA-UHFFFAOYSA-N	0	1	304.310	1.097	50	5		DDBAMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)c1	ZINC000102088776	274004375	/nfs/dbraw/zinc/00/43/75/274004375.db2.gz	YCGRYTHBBJZDMO-CYBMUJFWSA-N	0	1	317.345	1.832	50	5		DDBAMN
Cc1ccc(OCCOCCN2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000020118728	182188936	/nfs/dbraw/zinc/18/89/36/182188936.db2.gz	MRAAMPCOEUCAAU-UHFFFAOYSA-N	0	1	323.393	1.546	50	5		DDBAMN
COc1ccc(C2=CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)cc1	ZINC000053772721	407174089	/nfs/dbraw/zinc/17/40/89/407174089.db2.gz	GFSKTBRKEWFLHZ-LSDHHAIUSA-N	0	1	302.330	1.976	50	5		DDBAMN
C[C@@H](O)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1	ZINC000170613471	407454020	/nfs/dbraw/zinc/45/40/20/407454020.db2.gz	GERCMQIEIBWJAL-NWDGAFQWSA-N	0	1	322.365	1.514	50	5		DDBAMN
O=C(NC1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC1[N+](=O)[O-]	ZINC000052992342	407162078	/nfs/dbraw/zinc/16/20/78/407162078.db2.gz	HWEIUQRIXPKKRB-KBPBESRZSA-N	0	1	323.393	1.339	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CC[C@H](CN3CCOCC3)C2)c(F)c1	ZINC000096429717	407265079	/nfs/dbraw/zinc/26/50/79/407265079.db2.gz	CYSMWUBMVYTWKS-GFCCVEGCSA-N	0	1	309.341	1.892	50	5		DDBAMN
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)c1	ZINC000102088769	274004735	/nfs/dbraw/zinc/00/47/35/274004735.db2.gz	YCGRYTHBBJZDMO-ZDUSSCGKSA-N	0	1	317.345	1.832	50	5		DDBAMN
COc1ccc(Nc2n[nH]c(-c3n[nH]cc3[N+](=O)[O-])n2)cc1	ZINC000004625830	406725304	/nfs/dbraw/zinc/72/53/04/406725304.db2.gz	VRJYWFXUJLGDMH-UHFFFAOYSA-N	0	1	301.266	1.855	50	5		DDBAMN
C[C@H]1COCCN1C1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000585092295	483920321	/nfs/dbraw/zinc/92/03/21/483920321.db2.gz	NYQIZHZEEMRKSH-LBPRGKRZSA-N	0	1	306.366	1.679	50	5		DDBAMN
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1C(=O)CCC1=O	ZINC000058250879	184095267	/nfs/dbraw/zinc/09/52/67/184095267.db2.gz	MHIUELZWAYSGRP-NSHDSACASA-N	0	1	305.334	1.737	50	5		DDBAMN
O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)[C@H]1CC1[N+](=O)[O-]	ZINC000071911245	406866743	/nfs/dbraw/zinc/86/67/43/406866743.db2.gz	XCMJLJXOHPFWMK-DCAQKATOSA-N	0	1	319.144	1.808	50	5		DDBAMN
C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000191998842	408522432	/nfs/dbraw/zinc/52/24/32/408522432.db2.gz	QVSOFSCTFDPTCO-CQSZACIVSA-N	0	1	321.377	1.966	50	5		DDBAMN
O=C(c1ccc(O)cc1)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1	ZINC000045059892	418436215	/nfs/dbraw/zinc/43/62/15/418436215.db2.gz	KQKZRSYGBGNFBK-UONOGXRCSA-N	0	1	318.329	1.479	50	5		DDBAMN
CN(CCN1CCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000069415808	282448354	/nfs/dbraw/zinc/44/83/54/282448354.db2.gz	UYGSZDLZLLNCHR-UHFFFAOYSA-N	0	1	313.379	1.311	50	5		DDBAMN
CN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000005912442	181295580	/nfs/dbraw/zinc/29/55/80/181295580.db2.gz	WHRYLEDBEHILIP-UHFFFAOYSA-N	0	1	300.746	1.338	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)c1	ZINC000124274480	292281980	/nfs/dbraw/zinc/28/19/80/292281980.db2.gz	IAPRMGSUVLQFLS-SECBINFHSA-N	0	1	304.310	1.292	50	5		DDBAMN
Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1	ZINC000002030191	293857021	/nfs/dbraw/zinc/85/70/21/293857021.db2.gz	DMICXPOKQAPOFK-UHFFFAOYSA-N	0	1	309.263	1.915	50	5		DDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1	ZINC000004688064	406725383	/nfs/dbraw/zinc/72/53/83/406725383.db2.gz	SAOZWYITSQHLQD-AWEZNQCLSA-N	0	1	320.393	1.938	50	5		DDBAMN
Cc1ccoc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000075092326	406921991	/nfs/dbraw/zinc/92/19/91/406921991.db2.gz	LPQYQBYKSPSSJT-HIFRSBDPSA-N	0	1	306.318	1.680	50	5		DDBAMN
Cc1cc(N2CCO[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083917	407278877	/nfs/dbraw/zinc/27/88/77/407278877.db2.gz	OOWYGRGERCQNGW-GFCCVEGCSA-N	0	1	303.318	1.649	50	5		DDBAMN
CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@H]1C	ZINC000135783583	408053646	/nfs/dbraw/zinc/05/36/46/408053646.db2.gz	RRKXFCWFAKEEMO-MRVPVSSYSA-N	0	1	321.358	1.735	50	5		DDBAMN
CCOc1cccc(N2C[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-]	ZINC000096503069	276381426	/nfs/dbraw/zinc/38/14/26/276381426.db2.gz	OQECODPPPFTYOD-TZMCWYRMSA-N	0	1	307.350	1.513	50	5		DDBAMN
O=c1[nH]c2c(=O)oc3ccccc3c2n(Cc2ccccc2)c1=O	ZINC000019816042	285196925	/nfs/dbraw/zinc/19/69/25/285196925.db2.gz	UXLRXASYOGJXHY-UHFFFAOYSA-N	0	1	320.304	1.845	50	5		DDBAMN
Cc1nn(CCO)c(C)c1CNCc1cccc([N+](=O)[O-])c1	ZINC000066991039	407265438	/nfs/dbraw/zinc/26/54/38/407265438.db2.gz	NIZKOLFMYQKEIB-UHFFFAOYSA-N	0	1	304.350	1.690	50	5		DDBAMN
CC[C@@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000096492291	407272277	/nfs/dbraw/zinc/27/22/77/407272277.db2.gz	QFPRBGDQAZSELT-CQSZACIVSA-N	0	1	307.350	1.494	50	5		DDBAMN
COC[C@@H](O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000097083811	407278960	/nfs/dbraw/zinc/27/89/60/407278960.db2.gz	IPLJEUAQLLWNTO-LBPRGKRZSA-N	0	1	305.334	1.895	50	5		DDBAMN
O=C(c1ccn[nH]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072290004	191108779	/nfs/dbraw/zinc/10/87/79/191108779.db2.gz	KPMOJMCXJVRNRH-VIFPVBQESA-N	0	1	302.294	1.040	50	5		DDBAMN
O=C(Cc1ccccc1[N+](=O)[O-])NCCCCN1CCOCC1	ZINC000048286622	407093743	/nfs/dbraw/zinc/09/37/43/407093743.db2.gz	OLBLFXADAOXUNO-UHFFFAOYSA-N	0	1	321.377	1.366	50	5		DDBAMN
CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	ZINC000096419329	407263238	/nfs/dbraw/zinc/26/32/38/407263238.db2.gz	ARFVLWKFXNYFHO-NXEZZACHSA-N	0	1	310.354	1.902	50	5		DDBAMN
COc1cccc(N2CCN(CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-]	ZINC000302475816	278015929	/nfs/dbraw/zinc/01/59/29/278015929.db2.gz	FAXGBPQFASRNTI-GFCCVEGCSA-N	0	1	323.393	1.885	50	5		DDBAMN
Cc1nn(C)c(C)c1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000097033696	185399913	/nfs/dbraw/zinc/39/99/13/185399913.db2.gz	KEOMNVXDVLXBFW-UHFFFAOYSA-N	0	1	306.326	1.031	50	5		DDBAMN
COC(=O)c1cc(C(=O)NCc2cn[nH]c2C)cc([N+](=O)[O-])c1	ZINC000068238918	190756753	/nfs/dbraw/zinc/75/67/53/190756753.db2.gz	SWFZGYCTBNIUBW-UHFFFAOYSA-N	0	1	318.289	1.343	50	5		DDBAMN
CN1CCN(CCOCCOc2ccccc2[N+](=O)[O-])CC1	ZINC000002954867	406708249	/nfs/dbraw/zinc/70/82/49/406708249.db2.gz	IGMSXWVQVXMPLY-UHFFFAOYSA-N	0	1	309.366	1.238	50	5		DDBAMN
Cc1nc(CCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)n[nH]1	ZINC000089497122	407138135	/nfs/dbraw/zinc/13/81/35/407138135.db2.gz	HJVUKHXDDLVDCW-UHFFFAOYSA-N	0	1	304.314	1.040	50	5		DDBAMN
Cc1nnc(CCNc2ncc([N+](=O)[O-])c(NC3CC3)n2)[nH]1	ZINC000089497122	407138138	/nfs/dbraw/zinc/13/81/38/407138138.db2.gz	HJVUKHXDDLVDCW-UHFFFAOYSA-N	0	1	304.314	1.040	50	5		DDBAMN
CCOc1cccc(N2C[C@@H]3[C@H](C2)OCCN3C)c1[N+](=O)[O-]	ZINC000195563919	276381486	/nfs/dbraw/zinc/38/14/86/276381486.db2.gz	OQECODPPPFTYOD-OCCSQVGLSA-N	0	1	307.350	1.513	50	5		DDBAMN
COC[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000079091123	185156359	/nfs/dbraw/zinc/15/63/59/185156359.db2.gz	JGDNBOXLTBIROV-LLVKDONJSA-N	0	1	307.350	1.552	50	5		DDBAMN
O=c1[nH]c(-n2cnc([N+](=O)[O-])n2)nc2c1cnn2-c1ccccc1	ZINC000078990234	353544896	/nfs/dbraw/zinc/54/48/96/353544896.db2.gz	PGVRJGBTESNVQW-UHFFFAOYSA-N	0	1	324.260	1.010	50	5		DDBAMN
CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000078556720	407034341	/nfs/dbraw/zinc/03/43/41/407034341.db2.gz	GVWSKDRLEULTHI-UHFFFAOYSA-N	0	1	322.346	1.857	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1nn[nH]n1	ZINC000952884027	775644593	/nfs/dbraw/zinc/64/45/93/775644593.db2.gz	RPWYIPINMQBBHK-NSHDSACASA-N	0	1	317.309	1.785	50	5		DDBAMN
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000170599184	287224143	/nfs/dbraw/zinc/22/41/43/287224143.db2.gz	XWYDDLVIRDDWFG-DGCLKSJQSA-N	0	1	319.361	1.999	50	5		DDBAMN
COc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000058424349	184116371	/nfs/dbraw/zinc/11/63/71/184116371.db2.gz	LCWDAVJEVJXZMP-PWSUYJOCSA-N	0	1	319.317	1.426	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1Sc1nc(-c2ccncc2)n[nH]1	ZINC000012577355	406848532	/nfs/dbraw/zinc/84/85/32/406848532.db2.gz	YORZTCJPWCFNLS-UHFFFAOYSA-N	0	1	303.307	1.660	50	5		DDBAMN
CN(C)CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000097134889	407282408	/nfs/dbraw/zinc/28/24/08/407282408.db2.gz	MAOSAHTZYIAUPW-UHFFFAOYSA-N	0	1	323.396	1.833	50	5		DDBAMN
O=C([C@H]1CC1[N+](=O)[O-])N1CCN(c2ccccc2Cl)CC1	ZINC000047271807	418454712	/nfs/dbraw/zinc/45/47/12/418454712.db2.gz	CTFQIHNNPMCQJZ-GWCFXTLKSA-N	0	1	309.753	1.654	50	5		DDBAMN
COC[C@H](O)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000097083812	193683351	/nfs/dbraw/zinc/68/33/51/193683351.db2.gz	IPLJEUAQLLWNTO-GFCCVEGCSA-N	0	1	305.334	1.895	50	5		DDBAMN
O=C([C@H]1CC1[N+](=O)[O-])N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000044467880	183411555	/nfs/dbraw/zinc/41/15/55/183411555.db2.gz	KQRFWZPZEDRKNB-SMDDNHRTSA-N	0	1	314.345	1.934	50	5		DDBAMN
O=[N+]([O-])c1cc(CN(CCO)CCO)ccc1Br	ZINC000159420208	197352731	/nfs/dbraw/zinc/35/27/31/197352731.db2.gz	GRSZHKSIEFZOKN-UHFFFAOYSA-N	0	1	319.155	1.144	50	5		DDBAMN
CNC(=O)[C@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1	ZINC000069510021	406724993	/nfs/dbraw/zinc/72/49/93/406724993.db2.gz	YAFTURCQSDFKQQ-CQSZACIVSA-N	0	1	307.350	1.574	50	5		DDBAMN
CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1	ZINC000095987417	407221052	/nfs/dbraw/zinc/22/10/52/407221052.db2.gz	AYXFBAVAPSXAEY-HNNXBMFYSA-N	0	1	315.377	1.780	50	5		DDBAMN
O=C(C=C(O)C1=C(O)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000106029082	353938452	/nfs/dbraw/zinc/93/84/52/353938452.db2.gz	WTYSXZBNUUPPEU-LLVKDONJSA-N	0	1	318.285	1.431	50	5		DDBAMN
CCN(CC)CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000069538833	406731290	/nfs/dbraw/zinc/73/12/90/406731290.db2.gz	FALQWJZGCPRUSK-UHFFFAOYSA-N	0	1	318.337	1.660	50	5		DDBAMN
CCc1cccc(OCCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)c1	ZINC000072292150	406879578	/nfs/dbraw/zinc/87/95/78/406879578.db2.gz	RCXLOLFCCMZSFH-UHFFFAOYSA-N	0	1	305.290	1.086	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2[nH]1	ZINC000247362502	408456181	/nfs/dbraw/zinc/45/61/81/408456181.db2.gz	FBXZUWIEIZAUPJ-JIMOISOXSA-N	0	1	300.318	1.892	50	5		DDBAMN
CCN1CCN(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])CC1	ZINC000025435973	406898020	/nfs/dbraw/zinc/89/80/20/406898020.db2.gz	RDBCVZFHNOTQII-UHFFFAOYSA-N	0	1	320.393	1.788	50	5		DDBAMN
O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1CC1[N+](=O)[O-]	ZINC000052901896	407160603	/nfs/dbraw/zinc/16/06/03/407160603.db2.gz	NURKREYWLBYVGS-VXGBXAGGSA-N	0	1	310.281	1.016	50	5		DDBAMN
CN1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1	ZINC000222149451	407554085	/nfs/dbraw/zinc/55/40/85/407554085.db2.gz	AYXFBAVAPSXAEY-OAHLLOKOSA-N	0	1	315.377	1.780	50	5		DDBAMN
Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)(C)O)[C@H](C)C1	ZINC000275620295	408623830	/nfs/dbraw/zinc/62/38/30/408623830.db2.gz	UVNCHMKWOLFAIS-GFCCVEGCSA-N	0	1	308.382	1.580	50	5		DDBAMN
CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[nH]n1	ZINC000089949591	185271195	/nfs/dbraw/zinc/27/11/95/185271195.db2.gz	LCUIRFSOFFDINM-NSHDSACASA-N	0	1	304.310	1.308	50	5		DDBAMN
O=[N+]([O-])c1c[nH]nc1-c1nc(Nc2ccc3c(c2)OCO3)n[nH]1	ZINC000012375171	406841645	/nfs/dbraw/zinc/84/16/45/406841645.db2.gz	YOHDCRNZDFDTNT-UHFFFAOYSA-N	0	1	315.249	1.575	50	5		DDBAMN
O=[N+]([O-])c1ncn(Cc2nc3ccc(Br)cc3[nH]2)n1	ZINC000097114240	407281212	/nfs/dbraw/zinc/28/12/12/407281212.db2.gz	GAWMKVRIIFHNFM-UHFFFAOYSA-N	0	1	323.110	1.873	50	5		DDBAMN
CC(C)n1ccc2nc3ccn(-c4nnc[nH]4)c(=O)c3cc2c1=O	ZINC000040267615	278133162	/nfs/dbraw/zinc/13/31/62/278133162.db2.gz	CRKLIBWKBKXRRL-UHFFFAOYSA-N	0	1	322.328	1.400	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1C(=O)Nc2ncnn21	ZINC000020745069	182245859	/nfs/dbraw/zinc/24/58/59/182245859.db2.gz	OZEWNVJOBXCJGQ-SNVBAGLBSA-N	0	1	316.277	1.017	50	5		DDBAMN
CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1n[nH]c(C)n1	ZINC000096446833	407267237	/nfs/dbraw/zinc/26/72/37/407267237.db2.gz	GULYHWPNIWHGGS-LBPRGKRZSA-N	0	1	303.322	1.831	50	5		DDBAMN
Cc1cc([N+](=O)[O-])cnc1N1CCN(CC(C)(C)O)[C@@H](C)C1	ZINC000275620298	408623976	/nfs/dbraw/zinc/62/39/76/408623976.db2.gz	UVNCHMKWOLFAIS-LBPRGKRZSA-N	0	1	308.382	1.580	50	5		DDBAMN
CC[C@H](O)CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	ZINC000084733547	483998871	/nfs/dbraw/zinc/99/88/71/483998871.db2.gz	YJIVJRTVUXKARS-LBPRGKRZSA-N	0	1	319.365	1.135	50	5		DDBAMN
COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000001515323	406671870	/nfs/dbraw/zinc/67/18/70/406671870.db2.gz	DEQDDHVXZUEETG-NSHDSACASA-N	0	1	307.331	1.561	50	5		DDBAMN
CCn1c(C)nc([N+](=O)[O-])c1Sc1nc(N)nc2[nH]cnc21	ZINC000001675222	406675626	/nfs/dbraw/zinc/67/56/26/406675626.db2.gz	ZEFQYYBXNUKUPC-UHFFFAOYSA-N	0	1	320.338	1.519	50	5		DDBAMN
O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H]1CC1[N+](=O)[O-]	ZINC000052901892	407160113	/nfs/dbraw/zinc/16/01/13/407160113.db2.gz	NURKREYWLBYVGS-NEPJUHHUSA-N	0	1	310.281	1.016	50	5		DDBAMN
CN1CCC[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1	ZINC000095367650	407210205	/nfs/dbraw/zinc/21/02/05/407210205.db2.gz	WDBMCFQJCUMNKJ-CYBMUJFWSA-N	0	1	318.377	1.993	50	5		DDBAMN
CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003371446	406716455	/nfs/dbraw/zinc/71/64/55/406716455.db2.gz	NGRKIBYTJYKNHK-LBPRGKRZSA-N	0	1	313.379	1.357	50	5		DDBAMN
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CC1[N+](=O)[O-]	ZINC000055452786	407202811	/nfs/dbraw/zinc/20/28/11/407202811.db2.gz	CBCWMCXOKZMPJX-KBPBESRZSA-N	0	1	322.336	1.655	50	5		DDBAMN
CN1CCN(C[C@@H]2CN(c3ccccc3[N+](=O)[O-])CCO2)CC1	ZINC000095351534	407208206	/nfs/dbraw/zinc/20/82/06/407208206.db2.gz	GTBLNUSVJKGJLP-CQSZACIVSA-N	0	1	320.393	1.047	50	5		DDBAMN
CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000208158615	697749905	/nfs/dbraw/zinc/74/99/05/697749905.db2.gz	JCWPKBPRODWUKF-ZDUSSCGKSA-N	0	1	313.379	1.213	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nn[nH]n1	ZINC000952884026	775644738	/nfs/dbraw/zinc/64/47/38/775644738.db2.gz	RPWYIPINMQBBHK-LLVKDONJSA-N	0	1	317.309	1.785	50	5		DDBAMN
O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000106869755	407363784	/nfs/dbraw/zinc/36/37/84/407363784.db2.gz	FYGOPLWBHSLLPV-GBIKHYSHSA-N	0	1	311.288	1.325	50	5		DDBAMN
O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)[C@H]1CC1[N+](=O)[O-]	ZINC000106869748	407364149	/nfs/dbraw/zinc/36/41/49/407364149.db2.gz	FYGOPLWBHSLLPV-NRUUGDAUSA-N	0	1	311.288	1.325	50	5		DDBAMN
CCSc1nnc(NC(=O)c2nn(C)cc2[N+](=O)[O-])s1	ZINC000002779241	180955625	/nfs/dbraw/zinc/95/56/25/180955625.db2.gz	GAUGRPLGEXBBOB-UHFFFAOYSA-N	0	1	314.352	1.544	50	5		DDBAMN
CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CC3[N+](=O)[O-])c2O1	ZINC000044502475	407025655	/nfs/dbraw/zinc/02/56/55/407025655.db2.gz	HUQNOPKQHOBVBT-RYUDHWBXSA-N	0	1	320.345	1.560	50	5		DDBAMN
CC(=O)N1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000046037113	407052587	/nfs/dbraw/zinc/05/25/87/407052587.db2.gz	YYPNFHOUPXQTAK-UHFFFAOYSA-N	0	1	307.350	1.528	50	5		DDBAMN
O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1	ZINC000068029424	407294093	/nfs/dbraw/zinc/29/40/93/407294093.db2.gz	GLBHYCZAOCSYMW-BNOWGMLFSA-N	0	1	323.393	1.339	50	5		DDBAMN
Cc1nc(CN2CCN(c3ncc(C)cc3[N+](=O)[O-])CC2)n[nH]1	ZINC000096005706	293265425	/nfs/dbraw/zinc/26/54/25/293265425.db2.gz	SNOKSXFDWKXEBF-UHFFFAOYSA-N	0	1	317.353	1.047	50	5		DDBAMN
O=[N+]([O-])c1cnn(CCSc2nc(-c3ccccn3)n[nH]2)c1	ZINC000078967216	185136684	/nfs/dbraw/zinc/13/66/84/185136684.db2.gz	SSZPMUOMSJVFJS-UHFFFAOYSA-N	0	1	317.334	1.764	50	5		DDBAMN
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1C(=O)Nc2ncnn21	ZINC000013691819	190638633	/nfs/dbraw/zinc/63/86/33/190638633.db2.gz	LSEMNRXGTVGFLV-SNVBAGLBSA-N	0	1	316.277	1.017	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1	ZINC000045054822	418435782	/nfs/dbraw/zinc/43/57/82/418435782.db2.gz	SEGITSOJPQRWPK-WDMOLILDSA-N	0	1	314.345	1.934	50	5		DDBAMN
CC(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(N)n2)CC1	ZINC000195560341	354297775	/nfs/dbraw/zinc/29/77/75/354297775.db2.gz	ONRAPYOKXDZTAC-UHFFFAOYSA-N	0	1	321.381	1.376	50	5		DDBAMN
Cc1cc(N2CCO[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083916	407278921	/nfs/dbraw/zinc/27/89/21/407278921.db2.gz	OOWYGRGERCQNGW-LBPRGKRZSA-N	0	1	303.318	1.649	50	5		DDBAMN
Cc1ccc(OCCCn2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1C	ZINC000075143837	353350470	/nfs/dbraw/zinc/35/04/70/353350470.db2.gz	KALNEHZFRTULKH-UHFFFAOYSA-N	0	1	319.317	1.531	50	5		DDBAMN
Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1	ZINC000124274709	292281861	/nfs/dbraw/zinc/28/18/61/292281861.db2.gz	IAPRMGSUVLQFLS-VIFPVBQESA-N	0	1	304.310	1.292	50	5		DDBAMN
CCN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC)C1	ZINC000000346444	406642946	/nfs/dbraw/zinc/64/29/46/406642946.db2.gz	BQVYUQIDNMOXRH-NSHDSACASA-N	0	1	307.350	1.818	50	5		DDBAMN
CC(C)CN1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000012780808	406852165	/nfs/dbraw/zinc/85/21/65/406852165.db2.gz	DTAPIMZDKHEYQP-OAHLLOKOSA-N	0	1	321.377	1.681	50	5		DDBAMN
Cc1ccoc1CN[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000075092323	406921938	/nfs/dbraw/zinc/92/19/38/406921938.db2.gz	LPQYQBYKSPSSJT-DZGCQCFKSA-N	0	1	306.318	1.680	50	5		DDBAMN
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1CC1[N+](=O)[O-]	ZINC000077944561	407016156	/nfs/dbraw/zinc/01/61/56/407016156.db2.gz	IOAGGIGSQZJAPK-UWVGGRQHSA-N	0	1	310.272	1.469	50	5		DDBAMN
Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	ZINC000225534778	407593358	/nfs/dbraw/zinc/59/33/58/407593358.db2.gz	QNGFJEWBFTYXCB-UHFFFAOYSA-N	0	1	310.335	1.642	50	5		DDBAMN
CN(C)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000003887725	181052834	/nfs/dbraw/zinc/05/28/34/181052834.db2.gz	TZBCQPREQVMHBZ-UHFFFAOYSA-N	0	1	307.759	1.088	50	5		DDBAMN
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12	ZINC000019286092	182112012	/nfs/dbraw/zinc/11/20/12/182112012.db2.gz	BGKYIPHYQNPZAS-UHFFFAOYSA-N	0	1	302.334	1.257	50	5		DDBAMN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(N)=O)C1	ZINC000069567958	406734950	/nfs/dbraw/zinc/73/49/50/406734950.db2.gz	PAMXOKKSEFGGSW-LLVKDONJSA-N	0	1	307.350	1.689	50	5		DDBAMN
CCN1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1	ZINC000069419046	406708454	/nfs/dbraw/zinc/70/84/54/406708454.db2.gz	SGPNGECWXQKUDI-JTQLQIEISA-N	0	1	310.329	1.530	50	5		DDBAMN
CC(C)Oc1ccccc1Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O	ZINC000096416337	407262170	/nfs/dbraw/zinc/26/21/70/407262170.db2.gz	KPYVNTHYUNHPAL-UHFFFAOYSA-N	0	1	305.290	1.693	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000048264312	418468296	/nfs/dbraw/zinc/46/82/96/418468296.db2.gz	GYJQTSBVQZWZCD-ILXRZTDVSA-N	0	1	304.346	1.624	50	5		DDBAMN
CCCN1CCN(c2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000032918608	276012939	/nfs/dbraw/zinc/01/29/39/276012939.db2.gz	NBNBAOPRASNOAI-UHFFFAOYSA-N	0	1	307.350	1.913	50	5		DDBAMN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000095432126	295243848	/nfs/dbraw/zinc/24/38/48/295243848.db2.gz	CLFAHQMXTKDDNV-SECBINFHSA-N	0	1	319.770	1.264	50	5		DDBAMN
CCN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCOC1	ZINC000071908290	406866940	/nfs/dbraw/zinc/86/69/40/406866940.db2.gz	UGWSAMBQNAZAEB-GFCCVEGCSA-N	0	1	307.350	1.892	50	5		DDBAMN
COC(=O)C(=Cc1cc(OC)c(O)c([N+](=O)[O-])c1)C(=O)OC	ZINC000035391944	406972096	/nfs/dbraw/zinc/97/20/96/406972096.db2.gz	HUDFMIAEJVASQA-UHFFFAOYSA-N	0	1	311.246	1.038	50	5		DDBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1Cn1cnc2ccccc21	ZINC000239654227	222210857	/nfs/dbraw/zinc/21/08/57/222210857.db2.gz	BMYRNXSILSAQLG-YWPYICTPSA-N	0	1	314.345	1.693	50	5		DDBAMN
Cc1ncsc1CN[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000085324912	484003595	/nfs/dbraw/zinc/00/35/95/484003595.db2.gz	XVEQBJGQKAZZSH-OCCSQVGLSA-N	0	1	323.374	1.544	50	5		DDBAMN
O=C1NC(=O)C2(COC(c3cccc([N+](=O)[O-])c3)OC2)S1	ZINC000000990032	284860508	/nfs/dbraw/zinc/86/05/08/284860508.db2.gz	UXILJLKYQVUAKZ-UHFFFAOYSA-N	0	1	310.287	1.362	50	5		DDBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2CO)cc1	ZINC000000318687	406639905	/nfs/dbraw/zinc/63/99/05/406639905.db2.gz	LKADVAWBBYNQJQ-UHFFFAOYSA-N	0	1	308.315	1.888	50	5		DDBAMN
O=[N+]([O-])c1c(NCCCCN2CCOCC2)nc2ccccn21	ZINC000052308830	407150490	/nfs/dbraw/zinc/15/04/90/407150490.db2.gz	CWPDTNRZSVAUCJ-UHFFFAOYSA-N	0	1	319.365	1.767	50	5		DDBAMN
Cc1c(NC(=O)CCN(C)CC(=O)N(C)C)cccc1[N+](=O)[O-]	ZINC000041894336	183224294	/nfs/dbraw/zinc/22/42/94/183224294.db2.gz	RGIWEUASFPLNIA-UHFFFAOYSA-N	0	1	322.365	1.252	50	5		DDBAMN
O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CC1[N+](=O)[O-]	ZINC000055452790	407203405	/nfs/dbraw/zinc/20/34/05/407203405.db2.gz	CBCWMCXOKZMPJX-UONOGXRCSA-N	0	1	322.336	1.655	50	5		DDBAMN
COc1cc(N2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-]	ZINC000096453196	407269088	/nfs/dbraw/zinc/26/90/88/407269088.db2.gz	SIHGKGLCWBDIHS-CQSZACIVSA-N	0	1	321.377	1.904	50	5		DDBAMN
CC[C@H](NCC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000096492289	407272711	/nfs/dbraw/zinc/27/27/11/407272711.db2.gz	QFPRBGDQAZSELT-AWEZNQCLSA-N	0	1	307.350	1.494	50	5		DDBAMN
CCOC(=O)C1=C(c2cccc([N+](=O)[O-])c2)NC(=S)N[C@H]1C	ZINC000135783615	408053870	/nfs/dbraw/zinc/05/38/70/408053870.db2.gz	RRKXFCWFAKEEMO-QMMMGPOBSA-N	0	1	321.358	1.735	50	5		DDBAMN
CCOC(=O)C1C(c2ccccc2[N+](=O)[O-])=NC(=S)N[C@@H]1C	ZINC000136631189	408117434	/nfs/dbraw/zinc/11/74/34/408117434.db2.gz	VZTRKTGDVRBURA-MRVPVSSYSA-N	0	1	321.358	1.735	50	5		DDBAMN
O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CC1[N+](=O)[O-]	ZINC000058380509	184110485	/nfs/dbraw/zinc/11/04/85/184110485.db2.gz	JKHHKJKHAHQLKC-XUJVJEKNSA-N	0	1	318.329	1.690	50	5		DDBAMN
COc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000058424352	184116427	/nfs/dbraw/zinc/11/64/27/184116427.db2.gz	LCWDAVJEVJXZMP-JQWIXIFHSA-N	0	1	319.317	1.426	50	5		DDBAMN
COc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000058424358	184116568	/nfs/dbraw/zinc/11/65/68/184116568.db2.gz	LCWDAVJEVJXZMP-CMPLNLGQSA-N	0	1	319.317	1.426	50	5		DDBAMN
O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1n[nH]c(C2CC2)n1	ZINC000096008311	407223533	/nfs/dbraw/zinc/22/35/33/407223533.db2.gz	OXVHPGDEJHZDAG-UHFFFAOYSA-N	0	1	301.262	1.547	50	5		DDBAMN
O=c1[nH]c(=O)n(Cc2cc(F)cc3cccnc32)cc1[N+](=O)[O-]	ZINC000075138409	353350240	/nfs/dbraw/zinc/35/02/40/353350240.db2.gz	SXAQZXDHAAQFFQ-UHFFFAOYSA-N	0	1	316.248	1.593	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1N1CCC(c2n[nH]c(C3CC3)n2)CC1	ZINC000058401330	184113264	/nfs/dbraw/zinc/11/32/64/184113264.db2.gz	DRUHRKZGGSRBNO-UHFFFAOYSA-N	0	1	317.353	1.708	50	5		DDBAMN
Cn1cnc([N+](=O)[O-])c1N1CCC(c2nc(C3CC3)n[nH]2)CC1	ZINC000058401330	184113265	/nfs/dbraw/zinc/11/32/65/184113265.db2.gz	DRUHRKZGGSRBNO-UHFFFAOYSA-N	0	1	317.353	1.708	50	5		DDBAMN
Cc1cnc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1	ZINC000097162591	407284166	/nfs/dbraw/zinc/28/41/66/407284166.db2.gz	SBXGGKYVQQXLMB-UHFFFAOYSA-N	0	1	303.321	1.431	50	5		DDBAMN
CCN1CCN(C2CN(c3ccc([N+](=O)[O-])c(C)n3)C2)CC1	ZINC000952994299	721534585	/nfs/dbraw/zinc/53/45/85/721534585.db2.gz	YUTLUZHJMZZCGF-UHFFFAOYSA-N	0	1	305.382	1.124	50	5		DDBAMN
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)cc([N+](=O)[O-])c1[O-]	ZINC000043164445	352363112	/nfs/dbraw/zinc/36/31/12/352363112.db2.gz	FKQRJXJILFLYQQ-YPMHNXCESA-N	0	1	321.377	1.978	50	5		DDBAMN
COc1ccccc1NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000005557621	181256926	/nfs/dbraw/zinc/25/69/26/181256926.db2.gz	DKTQTGKVALNZRF-UHFFFAOYSA-N	0	1	323.330	1.986	50	5		DDBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1	ZINC000004688065	406727175	/nfs/dbraw/zinc/72/71/75/406727175.db2.gz	SAOZWYITSQHLQD-CQSZACIVSA-N	0	1	320.393	1.938	50	5		DDBAMN
COCCN(Cc1ccccn1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-]	ZINC000069845179	406781370	/nfs/dbraw/zinc/78/13/70/406781370.db2.gz	QAZNPZDNSHSJHS-UHFFFAOYSA-N	0	1	319.321	1.310	50	5		DDBAMN
Cc1ccc(NC(=O)CC2C(=O)Nc3ncnn32)cc1[N+](=O)[O-]	ZINC000013687043	406866267	/nfs/dbraw/zinc/86/62/67/406866267.db2.gz	BEMKZCMIPFTOCK-SNVBAGLBSA-N	0	1	316.277	1.017	50	5		DDBAMN
Cc1c(CC(=O)N(C)C[C@@H](C)c2nn[nH]n2)cccc1[N+](=O)[O-]	ZINC000124504076	407360215	/nfs/dbraw/zinc/36/02/15/407360215.db2.gz	SVKYLMUZKKAKMP-SECBINFHSA-N	0	1	318.337	1.221	50	5		DDBAMN
CCOC(=O)C1C(c2ccccc2[N+](=O)[O-])=NC(=S)N[C@H]1C	ZINC000136631238	408115338	/nfs/dbraw/zinc/11/53/38/408115338.db2.gz	VZTRKTGDVRBURA-QMMMGPOBSA-N	0	1	321.358	1.735	50	5		DDBAMN
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1	ZINC000097097830	290180627	/nfs/dbraw/zinc/18/06/27/290180627.db2.gz	DNNGPTGDVPUIIW-BXUZGUMPSA-N	0	1	319.361	1.857	50	5		DDBAMN
CCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1(C)C	ZINC000096419330	407263052	/nfs/dbraw/zinc/26/30/52/407263052.db2.gz	ARFVLWKFXNYFHO-ZJUUUORDSA-N	0	1	310.354	1.902	50	5		DDBAMN
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000044551516	418429451	/nfs/dbraw/zinc/42/94/51/418429451.db2.gz	HGPFCIBVTORZCE-WCQYABFASA-N	0	1	303.318	1.947	50	5		DDBAMN
CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1	ZINC000239539201	222210161	/nfs/dbraw/zinc/21/01/61/222210161.db2.gz	AVUXGTAVPNLZIB-MELADBBJSA-N	0	1	320.345	1.851	50	5		DDBAMN
Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN1CCCCC1	ZINC000000023258	280259220	/nfs/dbraw/zinc/25/92/20/280259220.db2.gz	SUKSAXBKZZSCRI-UHFFFAOYSA-N	0	1	318.333	1.419	50	5	in-vitro	DDBAMN
COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1OC	ZINC000005728355	181277702	/nfs/dbraw/zinc/27/77/02/181277702.db2.gz	UDPUFQVRVQKPPE-UHFFFAOYSA-N	0	1	306.278	1.265	50	5		DDBAMN
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CC1[N+](=O)[O-]	ZINC000032932563	406957261	/nfs/dbraw/zinc/95/72/61/406957261.db2.gz	JKYMKFYKYKLAGY-UWVGGRQHSA-N	0	1	304.224	1.867	50	5		DDBAMN