smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1	ZINC000001662834	194130856	/nfs/dbraw/zinc/13/08/56/194130856.db2.gz	AMYNTEMFHMIBMZ-UHFFFAOYSA-N	0	1	472.439	2.963	50	5		JFBAMN
Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(CC(C)(C)O)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000058328546	195377905	/nfs/dbraw/zinc/37/79/05/195377905.db2.gz	LSEIPZMFKCQVKK-UHFFFAOYSA-N	0	1	462.572	2.905	50	5		JFBAMN
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c([N+](=O)[O-])cc1OC	ZINC000002312005	554143773	/nfs/dbraw/zinc/14/37/73/554143773.db2.gz	DDHSMXXCOCDJBJ-UHFFFAOYSA-N	0	1	473.467	2.764	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000002454498	554221764	/nfs/dbraw/zinc/22/17/64/554221764.db2.gz	QOZZZKKZISDQMQ-UJAPCULTSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009361273	555124008	/nfs/dbraw/zinc/12/40/08/555124008.db2.gz	STZFWFBWYIPTPF-HSGJQSDISA-N	0	1	460.490	2.749	50	5		JFBAMN
CC(C)NS(=O)(=O)c1ccc(NCCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000012553914	556037942	/nfs/dbraw/zinc/03/79/42/556037942.db2.gz	ARSJEIHHZIKNGN-UHFFFAOYSA-N	0	1	461.588	2.511	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016001131	556105982	/nfs/dbraw/zinc/10/59/82/556105982.db2.gz	HDZMGJGHYPKOTD-XVIHEJCXSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21C(=O)Nc2ccccc21	ZINC000016010217	556109846	/nfs/dbraw/zinc/10/98/46/556109846.db2.gz	XJYXYMPDDXSKRB-HGXGVQFASA-N	0	1	498.495	2.771	50	5		JFBAMN
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1	ZINC000017028565	556207267	/nfs/dbraw/zinc/20/72/67/556207267.db2.gz	FNDAVVMWWQOOQE-AVRDEDQJSA-N	0	1	453.430	2.520	50	5		JFBAMN
Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC3)CC1	ZINC000034809689	569661341	/nfs/dbraw/zinc/66/13/41/569661341.db2.gz	KMVLYUAACPTWFB-UHFFFAOYSA-N	0	1	488.548	2.716	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843317	569714436	/nfs/dbraw/zinc/71/44/36/569714436.db2.gz	IDCKTJUEMAKNMI-NRGSMNHXSA-N	0	1	460.490	2.951	50	5		JFBAMN
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894799	569723224	/nfs/dbraw/zinc/72/32/24/569723224.db2.gz	MHKZCVZPRMMEFO-FYYLOGMGSA-N	0	1	456.518	2.750	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000096953069	569744026	/nfs/dbraw/zinc/74/40/26/569744026.db2.gz	JCGUMOXBJODQDW-PBQROFAYSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000104022454	569839974	/nfs/dbraw/zinc/83/99/74/569839974.db2.gz	HDZMGJGHYPKOTD-NRGSMNHXSA-N	0	1	460.490	2.951	50	5		JFBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@@H]2C1	ZINC000104919770	569847222	/nfs/dbraw/zinc/84/72/22/569847222.db2.gz	MWEKWZOPTHWTSM-GGAORHGYSA-N	0	1	469.973	2.890	50	5		JFBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000049717461	569850146	/nfs/dbraw/zinc/85/01/46/569850146.db2.gz	FAUSJBUQIDAASR-KANGHSEISA-N	0	1	452.854	2.679	50	5		JFBAMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000106014464	569853654	/nfs/dbraw/zinc/85/36/54/569853654.db2.gz	OUHKGQMISZFWAN-PGTSUSQTSA-N	0	1	498.495	2.777	50	5		JFBAMN
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681833	569870796	/nfs/dbraw/zinc/87/07/96/569870796.db2.gz	MHKZCVZPRMMEFO-GGAORHGYSA-N	0	1	456.518	2.750	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]21	ZINC000227082938	570039863	/nfs/dbraw/zinc/03/98/63/570039863.db2.gz	PABJJFGGOMAVAZ-JPHBTFASSA-N	0	1	466.519	2.581	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12	ZINC000245246821	570059268	/nfs/dbraw/zinc/05/92/68/570059268.db2.gz	PABJJFGGOMAVAZ-CVFMPKEZSA-N	0	1	466.519	2.581	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245325935	570064491	/nfs/dbraw/zinc/06/44/91/570064491.db2.gz	HZDWVKGWUBXHGJ-GBWYYYKWSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248101384	570074214	/nfs/dbraw/zinc/07/42/14/570074214.db2.gz	JXJJMGSQELOSHD-PLEUHSGWSA-N	0	1	490.516	2.905	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248337921	570077874	/nfs/dbraw/zinc/07/78/74/570077874.db2.gz	QPMCFPFDNOSRMU-BPJRARJCSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCCN21	ZINC000252001640	570079632	/nfs/dbraw/zinc/07/96/32/570079632.db2.gz	MNSPYMWCHIEMMQ-OEZVOZRXSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	ZINC000009908019	195018926	/nfs/dbraw/zinc/01/89/26/195018926.db2.gz	KMMCQMZYUGONCS-UHFFFAOYSA-N	0	1	497.552	2.612	50	5		JFBAMN
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@]21O	ZINC000059410374	195399028	/nfs/dbraw/zinc/39/90/28/195399028.db2.gz	AIXNJADSSZEICA-MWRVFVKCSA-N	0	1	487.597	2.995	50	5	biogenic	JFBAMN
COc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	ZINC000013546494	521952948	/nfs/dbraw/zinc/95/29/48/521952948.db2.gz	DPLHZJWOUXDHNP-VGOFMYFVSA-N	0	1	495.229	2.967	50	5		JFBAMN
COc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1OC	ZINC000002712640	554298403	/nfs/dbraw/zinc/29/84/03/554298403.db2.gz	QXTOGNINDZMGBE-UHFFFAOYSA-N	0	1	457.468	2.822	50	5		JFBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1	ZINC000002779341	554341543	/nfs/dbraw/zinc/34/15/43/554341543.db2.gz	SRSNQARBGNJJGR-UHFFFAOYSA-N	0	1	458.412	2.655	50	5		JFBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1	ZINC000002829116	554367272	/nfs/dbraw/zinc/36/72/72/554367272.db2.gz	LLXKGJWPKZPMKD-UHFFFAOYSA-N	0	1	461.521	2.917	50	5		JFBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000008882933	554777858	/nfs/dbraw/zinc/77/78/58/554777858.db2.gz	RCXGVMLGPYWLKG-LJQANCHMSA-N	0	1	491.884	2.511	50	5		JFBAMN
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000009332042	555101398	/nfs/dbraw/zinc/10/13/98/555101398.db2.gz	LFTROCONTVASFP-MSQSPTIYSA-N	0	1	454.870	2.829	50	5		JFBAMN
CN1CCN(S(=O)(=O)c2ccc(NC[C@H](c3ccco3)N3CCCCC3)c([N+](=O)[O-])c2)CC1	ZINC000009461976	555230373	/nfs/dbraw/zinc/23/03/73/555230373.db2.gz	BESSQTYYLJPBFJ-OAQYLSRUSA-N	0	1	477.587	2.763	50	5		JFBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000013750687	555609328	/nfs/dbraw/zinc/60/93/28/555609328.db2.gz	KFEVPYJQFFLOEZ-YDGKCNFYSA-N	0	1	452.854	2.679	50	5		JFBAMN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC[C@@H]2CCCO2)c(OC)c1	ZINC000020155076	555675083	/nfs/dbraw/zinc/67/50/83/555675083.db2.gz	RDQOZVSYVVREHV-INIZCTEOSA-N	0	1	458.471	2.571	50	5		JFBAMN
CC(C)C[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000012560528	556052626	/nfs/dbraw/zinc/05/26/26/556052626.db2.gz	VNPLLZLHVWUHEX-OAQYLSRUSA-N	0	1	490.582	2.872	50	5		JFBAMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000015989940	556102272	/nfs/dbraw/zinc/10/22/72/556102272.db2.gz	STZFWFBWYIPTPF-UGCAPWQASA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000015999143	556104177	/nfs/dbraw/zinc/10/41/77/556104177.db2.gz	JXRUVWHDCWOPEW-BINBFKAUSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016010166	556109422	/nfs/dbraw/zinc/10/94/22/556109422.db2.gz	XKDZDNYNWNYBJG-FKRWJQPVSA-N	0	1	490.516	2.905	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016010121	556109458	/nfs/dbraw/zinc/10/94/58/556109458.db2.gz	WONQTOWVPWJVQJ-BPJRARJCSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016012474	556111301	/nfs/dbraw/zinc/11/13/01/556111301.db2.gz	GABKCMHSHTWCJJ-UGCAPWQASA-N	0	1	460.490	2.897	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]21	ZINC000016042101	556121924	/nfs/dbraw/zinc/12/19/24/556121924.db2.gz	JBEVVQKBUZUCMO-FAODYONGSA-N	0	1	466.519	2.581	50	5	biogenic	JFBAMN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870336	569718334	/nfs/dbraw/zinc/71/83/34/569718334.db2.gz	ZDTVPEAYCYPOHA-RBBKRZOGSA-N	0	1	458.946	2.874	50	5		JFBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102778956	569823679	/nfs/dbraw/zinc/82/36/79/569823679.db2.gz	LUOMEPYOYBJMST-BUSGDNOQSA-N	0	1	468.441	2.542	50	5		JFBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c1	ZINC000102782290	569823878	/nfs/dbraw/zinc/82/38/78/569823878.db2.gz	VIKGSKDCLWACFL-HMWXEIDOSA-N	0	1	464.478	2.711	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]12	ZINC000105796261	569853474	/nfs/dbraw/zinc/85/34/74/569853474.db2.gz	QBUOBADNLLMEEU-LONFEIEESA-N	0	1	466.519	2.581	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138075462	569865650	/nfs/dbraw/zinc/86/56/50/569865650.db2.gz	QOZZZKKZISDQMQ-LOJFUVEFSA-N	0	1	460.490	2.951	50	5		JFBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328555	570065883	/nfs/dbraw/zinc/06/58/83/570065883.db2.gz	UZDODSAFDFBGJD-XXBNENTESA-N	0	1	483.912	2.789	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248101381	570074093	/nfs/dbraw/zinc/07/40/93/570074093.db2.gz	JXJJMGSQELOSHD-ADYBXSNGSA-N	0	1	490.516	2.905	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248337198	570077870	/nfs/dbraw/zinc/07/78/70/570077870.db2.gz	PNDPJSJGPBXDLY-BQVUBFBJSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCOC(=O)C1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000012465391	520565217	/nfs/dbraw/zinc/56/52/17/520565217.db2.gz	OHZAZBLNCVEVQE-LJQANCHMSA-N	0	1	475.885	2.636	50	5		JFBAMN
COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1	ZINC000009122794	524396270	/nfs/dbraw/zinc/39/62/70/524396270.db2.gz	AXULXQUQDJDKTA-XXBNENTESA-N	0	1	450.451	2.788	50	5		JFBAMN
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(OC)ccc2O)cn1	ZINC000009715423	555447621	/nfs/dbraw/zinc/44/76/21/555447621.db2.gz	PGBIAJHMUJYTOZ-UHFFFAOYSA-N	0	1	474.495	2.756	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000015996096	556102804	/nfs/dbraw/zinc/10/28/04/556102804.db2.gz	JKVBXPAQIQGZPG-KAMWDBRHSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000015999214	556104287	/nfs/dbraw/zinc/10/42/87/556104287.db2.gz	JDYKBEHBYKZQFT-PBQROFAYSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016011706	556110591	/nfs/dbraw/zinc/11/05/91/556110591.db2.gz	ASKKDZSGXQSJSE-UGCAPWQASA-N	0	1	460.490	2.749	50	5		JFBAMN
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000016012559	556111287	/nfs/dbraw/zinc/11/12/87/556111287.db2.gz	LFTROCONTVASFP-ORGXJRBJSA-N	0	1	454.870	2.829	50	5		JFBAMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016013118	556112102	/nfs/dbraw/zinc/11/21/02/556112102.db2.gz	ONDUZDKAUDVKMM-BINBFKAUSA-N	0	1	460.490	2.749	50	5		JFBAMN
O=C(NCCC[NH+]1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000008685611	562952530	/nfs/dbraw/zinc/95/25/30/562952530.db2.gz	AAFGIQSTTNXKHE-UHFFFAOYSA-N	0	1	482.946	2.501	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000057093116	569594388	/nfs/dbraw/zinc/59/43/88/569594388.db2.gz	QVZAKHWBXOTNEC-FKRWJQPVSA-N	0	1	490.516	2.960	50	5		JFBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@@H]2C1	ZINC000035894577	569723046	/nfs/dbraw/zinc/72/30/46/569723046.db2.gz	MWEKWZOPTHWTSM-GMAHTHKFSA-N	0	1	469.973	2.890	50	5		JFBAMN
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2	ZINC000102723164	569817333	/nfs/dbraw/zinc/81/73/33/569817333.db2.gz	CXJBOGIOWQBSGB-SQWLQELKSA-N	0	1	455.473	2.846	50	5		JFBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)cc1	ZINC000102779036	569823737	/nfs/dbraw/zinc/82/37/37/569823737.db2.gz	NLJFZWILDCTVKR-HMWXEIDOSA-N	0	1	464.478	2.711	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000103507530	569835454	/nfs/dbraw/zinc/83/54/54/569835454.db2.gz	JXRUVWHDCWOPEW-ZHBILRMLSA-N	0	1	460.490	2.749	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000104042044	569840004	/nfs/dbraw/zinc/84/00/04/569840004.db2.gz	IDCKTJUEMAKNMI-OAWZGRKZSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000136059661	569864544	/nfs/dbraw/zinc/86/45/44/569864544.db2.gz	STZFWFBWYIPTPF-PDFGSZSQSA-N	0	1	460.490	2.749	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]21	ZINC000227025458	570039763	/nfs/dbraw/zinc/03/97/63/570039763.db2.gz	QBUOBADNLLMEEU-RJZVVRIISA-N	0	1	466.519	2.581	50	5		JFBAMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000247300899	570067900	/nfs/dbraw/zinc/06/79/00/570067900.db2.gz	FAUSJBUQIDAASR-VXCZRNDOSA-N	0	1	452.854	2.679	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248332419	570077767	/nfs/dbraw/zinc/07/77/67/570077767.db2.gz	IRQJPZFFSINUDE-UOMSLYCOSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248338856	570078071	/nfs/dbraw/zinc/07/80/71/570078071.db2.gz	SAEDGDGIBNELAE-LWIATZKVSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000001315934	194083869	/nfs/dbraw/zinc/08/38/69/194083869.db2.gz	IRQJPZFFSINUDE-KHTISZTLSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OCC	ZINC000016805034	521142372	/nfs/dbraw/zinc/14/23/72/521142372.db2.gz	UJBMHTQZNUGEQA-MBNYWOFBSA-N	0	1	454.482	2.811	50	5		JFBAMN
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000012411106	521700462	/nfs/dbraw/zinc/70/04/62/521700462.db2.gz	GMYYKMJKKIUFBV-ATIYNZHBSA-N	0	1	491.548	2.659	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016011820	556110639	/nfs/dbraw/zinc/11/06/39/556110639.db2.gz	JCGUMOXBJODQDW-OZAHESQGSA-N	0	1	460.490	2.951	50	5		JFBAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000016033695	556117745	/nfs/dbraw/zinc/11/77/45/556117745.db2.gz	FAUSJBUQIDAASR-PBWVOLNLSA-N	0	1	452.854	2.679	50	5		JFBAMN
O=C(c1[nH]nc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)CC2)N1CCN(c2ccc(F)cc2)CC1	ZINC000034790052	569660115	/nfs/dbraw/zinc/66/01/15/569660115.db2.gz	RKNXFQKGYIXYGT-UHFFFAOYSA-N	0	1	478.484	2.618	50	5		JFBAMN
Cc1ccccc1N1CCN(C(=O)c2[nH]nc3c2CN(C(=O)c2ccccc2[N+](=O)[O-])CC3)CC1	ZINC000034809684	569661409	/nfs/dbraw/zinc/66/14/09/569661409.db2.gz	ONWCGTSHZLWNFQ-UHFFFAOYSA-N	0	1	474.521	2.787	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000035843992	569714759	/nfs/dbraw/zinc/71/47/59/569714759.db2.gz	HDZMGJGHYPKOTD-OAWZGRKZSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000136625978	569864748	/nfs/dbraw/zinc/86/47/48/569864748.db2.gz	ONDUZDKAUDVKMM-HOSCZWGSSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000136625978	569864749	/nfs/dbraw/zinc/86/47/49/569864749.db2.gz	ONDUZDKAUDVKMM-HOSCZWGSSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000138116281	569865608	/nfs/dbraw/zinc/86/56/08/569865608.db2.gz	ASKKDZSGXQSJSE-PDFGSZSQSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000138116281	569865609	/nfs/dbraw/zinc/86/56/09/569865609.db2.gz	ASKKDZSGXQSJSE-PDFGSZSQSA-N	0	1	460.490	2.749	50	5		JFBAMN
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681834	569870862	/nfs/dbraw/zinc/87/08/62/569870862.db2.gz	MHKZCVZPRMMEFO-GMAHTHKFSA-N	0	1	456.518	2.750	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](CCSC)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248085499	570073704	/nfs/dbraw/zinc/07/37/04/570073704.db2.gz	FFBWWZVOBWOVDP-GKIGCEAWSA-N	0	1	496.545	2.590	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000248113625	570074331	/nfs/dbraw/zinc/07/43/31/570074331.db2.gz	ONDUZDKAUDVKMM-IBSUQTTCSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]1[C@H]1CCCN12	ZINC000248122846	570074614	/nfs/dbraw/zinc/07/46/14/570074614.db2.gz	STZFWFBWYIPTPF-VWEIPLKFSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248135480	570075163	/nfs/dbraw/zinc/07/51/63/570075163.db2.gz	ZFVZIBJAYAXLND-IZZGNVEXSA-N	0	1	460.490	2.897	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248331063	570077722	/nfs/dbraw/zinc/07/77/22/570077722.db2.gz	GLNWQPJYBYNRKG-GKAYAJSDSA-N	0	1	466.881	2.988	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248338854	570078043	/nfs/dbraw/zinc/07/80/43/570078043.db2.gz	SAEDGDGIBNELAE-GBWYYYKWSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCOC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016447425	520542873	/nfs/dbraw/zinc/54/28/73/520542873.db2.gz	UHLRNWDDAIOTPB-HNNXBMFYSA-N	0	1	476.482	2.781	50	5		JFBAMN
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	ZINC000014944807	521700535	/nfs/dbraw/zinc/70/05/35/521700535.db2.gz	GMYYKMJKKIUFBV-GJZUVCINSA-N	0	1	491.548	2.659	50	5		JFBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000043726248	527092275	/nfs/dbraw/zinc/09/22/75/527092275.db2.gz	KFEVPYJQFFLOEZ-KANGHSEISA-N	0	1	452.854	2.679	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009411538	555178686	/nfs/dbraw/zinc/17/86/86/555178686.db2.gz	JXJJMGSQELOSHD-WUABMQKPSA-N	0	1	490.516	2.905	50	5		JFBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@H](C)O1	ZINC000009450822	555223231	/nfs/dbraw/zinc/22/32/31/555223231.db2.gz	LUOMEPYOYBJMST-LERLXCPZSA-N	0	1	468.441	2.542	50	5		JFBAMN
CN1CCN(S(=O)(=O)c2ccc(NC[C@@H](c3ccco3)N3CCCCC3)c([N+](=O)[O-])c2)CC1	ZINC000009461972	555230398	/nfs/dbraw/zinc/23/03/98/555230398.db2.gz	BESSQTYYLJPBFJ-NRFANRHFSA-N	0	1	477.587	2.763	50	5		JFBAMN
COc1ccc([C@H](CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCCC2)cc1	ZINC000014182775	555724167	/nfs/dbraw/zinc/72/41/67/555724167.db2.gz	YFYGSFORLWILDZ-FQEVSTJZSA-N	0	1	454.483	2.855	50	5		JFBAMN
CN(C)CCNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])c1	ZINC000014307434	555794030	/nfs/dbraw/zinc/79/40/30/555794030.db2.gz	XBNBJIYQLJFAPJ-UHFFFAOYSA-N	0	1	472.571	2.695	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000015968251	556094526	/nfs/dbraw/zinc/09/45/26/556094526.db2.gz	UDGNBLFELYPSCF-BINBFKAUSA-N	0	1	460.490	2.897	50	5	biogenic	JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000015999289	556104630	/nfs/dbraw/zinc/10/46/30/556104630.db2.gz	SAEDGDGIBNELAE-PBQROFAYSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016000306	556104935	/nfs/dbraw/zinc/10/49/35/556104935.db2.gz	GKDNGYRMOYIJID-UJAPCULTSA-N	0	1	476.489	2.651	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000061943427	569609400	/nfs/dbraw/zinc/60/94/00/569609400.db2.gz	GKDNGYRMOYIJID-XVIHEJCXSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843184	569714253	/nfs/dbraw/zinc/71/42/53/569714253.db2.gz	JDYKBEHBYKZQFT-MVOHMCPASA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000102552708	569814236	/nfs/dbraw/zinc/81/42/36/569814236.db2.gz	XJYXYMPDDXSKRB-KKBCGBJISA-N	0	1	498.495	2.771	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000049691875	569849933	/nfs/dbraw/zinc/84/99/33/569849933.db2.gz	JKVBXPAQIQGZPG-DTHKZBPFSA-N	0	1	476.489	2.651	50	5		JFBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000169677258	569868516	/nfs/dbraw/zinc/86/85/16/569868516.db2.gz	MYQNCBFCZLPLOB-VWNXMTODSA-N	0	1	450.539	2.959	50	5		JFBAMN
COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1	ZINC000230036439	570043891	/nfs/dbraw/zinc/04/38/91/570043891.db2.gz	AXULXQUQDJDKTA-WMZHIEFXSA-N	0	1	450.451	2.788	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245329058	570066181	/nfs/dbraw/zinc/06/61/81/570066181.db2.gz	XJYXYMPDDXSKRB-FVXYUFHJSA-N	0	1	498.495	2.771	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000245329061	570066187	/nfs/dbraw/zinc/06/61/87/570066187.db2.gz	XJYXYMPDDXSKRB-HWRXOPEZSA-N	0	1	498.495	2.771	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248088023	570073731	/nfs/dbraw/zinc/07/37/31/570073731.db2.gz	GABKCMHSHTWCJJ-AIFLQVKLSA-N	0	1	460.490	2.897	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248337923	570077908	/nfs/dbraw/zinc/07/79/08/570077908.db2.gz	QPMCFPFDNOSRMU-LOJFUVEFSA-N	0	1	476.489	2.651	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248338177	570077933	/nfs/dbraw/zinc/07/79/33/570077933.db2.gz	QVZAKHWBXOTNEC-ZGTFLMELSA-N	0	1	490.516	2.960	50	5		JFBAMN
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000020762411	195218603	/nfs/dbraw/zinc/21/86/03/195218603.db2.gz	UQDAJKIGNVEANT-UHFFFAOYSA-N	0	1	456.411	2.726	50	5		JFBAMN
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000020762375	195218624	/nfs/dbraw/zinc/21/86/24/195218624.db2.gz	JJTCGEJFGZXECI-UHFFFAOYSA-N	0	1	474.401	2.865	50	5		JFBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000003000286	524591234	/nfs/dbraw/zinc/59/12/34/524591234.db2.gz	MLOJAOWCWCBLPN-UHFFFAOYSA-N	0	1	457.468	2.820	50	5		JFBAMN
COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2)c1	ZINC000012538392	556011814	/nfs/dbraw/zinc/01/18/14/556011814.db2.gz	GWJVWAPOUDRTMM-UHFFFAOYSA-N	0	1	472.479	2.510	50	5		JFBAMN
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016001249	556106456	/nfs/dbraw/zinc/10/64/56/556106456.db2.gz	PQKBSASVPJIMLH-XQNUDUSMSA-N	0	1	466.881	2.988	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000016012204	556111028	/nfs/dbraw/zinc/11/10/28/556111028.db2.gz	FFBWWZVOBWOVDP-ODSAXCBOSA-N	0	1	496.545	2.590	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)NC(=O)N[C@H]1c1ccccc1	ZINC000024767489	556153077	/nfs/dbraw/zinc/15/30/77/556153077.db2.gz	RPRRWWBODYREBG-QFIPXVFZSA-N	0	1	465.510	2.588	50	5		JFBAMN
CCOC(=O)C1C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1	ZINC000019530654	556352629	/nfs/dbraw/zinc/35/26/29/556352629.db2.gz	NRZOBNOFYUXBBR-QHCPKHFHSA-N	0	1	495.536	2.597	50	5		JFBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000033026857	563110432	/nfs/dbraw/zinc/11/04/32/563110432.db2.gz	YVPUBVNXODRPSF-UHFFFAOYSA-N	0	1	498.517	2.895	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000061943453	569609412	/nfs/dbraw/zinc/60/94/12/569609412.db2.gz	QPMCFPFDNOSRMU-XVIHEJCXSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035851888	569716809	/nfs/dbraw/zinc/71/68/09/569716809.db2.gz	ASKKDZSGXQSJSE-HSGJQSDISA-N	0	1	460.490	2.749	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855491	569716917	/nfs/dbraw/zinc/71/69/17/569716917.db2.gz	NVRLWMYLXRFBHU-WKVINZIJSA-N	0	1	476.489	2.597	50	5		JFBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000035894872	569723236	/nfs/dbraw/zinc/72/32/36/569723236.db2.gz	MYQNCBFCZLPLOB-UPVQGACJSA-N	0	1	450.539	2.959	50	5		JFBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000036316840	569763453	/nfs/dbraw/zinc/76/34/53/569763453.db2.gz	MBWTUNSTIINXQH-GBXCKJPGSA-N	0	1	479.493	2.780	50	5		JFBAMN
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919433	569847188	/nfs/dbraw/zinc/84/71/88/569847188.db2.gz	MYQNCBFCZLPLOB-LADGPHEKSA-N	0	1	450.539	2.959	50	5		JFBAMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	ZINC000106014459	569853678	/nfs/dbraw/zinc/85/36/78/569853678.db2.gz	OUHKGQMISZFWAN-WAHZDWKKSA-N	0	1	498.495	2.777	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCCN21	ZINC000245246835	570059278	/nfs/dbraw/zinc/05/92/78/570059278.db2.gz	PHUVHVWSULCPLS-KAAUDJBISA-N	0	1	476.489	2.597	50	5		JFBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]2[C@H](C)O1	ZINC000248020384	570072874	/nfs/dbraw/zinc/07/28/74/570072874.db2.gz	LUOMEPYOYBJMST-NOIAWWCKSA-N	0	1	468.441	2.542	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248336086	570077958	/nfs/dbraw/zinc/07/79/58/570077958.db2.gz	NXBREAHTFNTVLB-GFTAFNIFSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCN1CCN(Cc2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1	ZINC000009941715	195029781	/nfs/dbraw/zinc/02/97/81/195029781.db2.gz	ZXCLEDWBQJIKPG-UHFFFAOYSA-N	0	1	452.515	2.637	50	5		JFBAMN
Cc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2)c1	ZINC000033586790	525339688	/nfs/dbraw/zinc/33/96/88/525339688.db2.gz	YRXPAXAFNQXMAI-UHFFFAOYSA-N	0	1	456.480	2.810	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000002194941	554088678	/nfs/dbraw/zinc/08/86/78/554088678.db2.gz	PHUVHVWSULCPLS-HOKASXAUSA-N	0	1	476.489	2.597	50	5		JFBAMN
O=C(CNS(=O)(=O)c1c(F)cc(F)cc1Br)OCc1ccc([N+](=O)[O-])cc1	ZINC000009465296	555239314	/nfs/dbraw/zinc/23/93/14/555239314.db2.gz	QXFRDVNLMRHVCP-UHFFFAOYSA-N	0	1	465.228	2.657	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1	ZINC000020560218	555810899	/nfs/dbraw/zinc/81/08/99/555810899.db2.gz	FYHAYARQYWMZCL-QHCPKHFHSA-N	0	1	479.537	2.897	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016000679	556105277	/nfs/dbraw/zinc/10/52/77/556105277.db2.gz	QOZZZKKZISDQMQ-XVIHEJCXSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000061943407	569609448	/nfs/dbraw/zinc/60/94/48/569609448.db2.gz	DCDMBJTUWWNVQF-FKRWJQPVSA-N	0	1	490.516	2.960	50	5		JFBAMN
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@]21O	ZINC000061996987	569609598	/nfs/dbraw/zinc/60/95/98/569609598.db2.gz	AIXNJADSSZEICA-DILCGNMASA-N	0	1	487.597	2.995	50	5	biogenic	JFBAMN
CN1CCN(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1	ZINC000034863414	569667931	/nfs/dbraw/zinc/66/79/31/569667931.db2.gz	ZZAAMESKLOEFBK-QHCPKHFHSA-N	0	1	473.599	2.780	50	5		JFBAMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@@]21C(=O)Nc2ccccc21	ZINC000035851919	569716792	/nfs/dbraw/zinc/71/67/92/569716792.db2.gz	OUHKGQMISZFWAN-ONLLFZDPSA-N	0	1	498.495	2.777	50	5		JFBAMN
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(CCOc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919430	569847274	/nfs/dbraw/zinc/84/72/74/569847274.db2.gz	MYQNCBFCZLPLOB-ISKFKSNPSA-N	0	1	450.539	2.959	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000138052646	569865638	/nfs/dbraw/zinc/86/56/38/569865638.db2.gz	PPZSONNTLFUKJX-OQGNEYSTSA-N	0	1	490.516	2.757	50	5		JFBAMN
COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]43)C2=O)cc1	ZINC000230036433	570043792	/nfs/dbraw/zinc/04/37/92/570043792.db2.gz	AXULXQUQDJDKTA-CVDCTZTESA-N	0	1	450.451	2.788	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]12	ZINC000245327749	570065485	/nfs/dbraw/zinc/06/54/85/570065485.db2.gz	QBUOBADNLLMEEU-RTNRFSENSA-N	0	1	466.519	2.581	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@H]1CCCN12	ZINC000248074456	570073600	/nfs/dbraw/zinc/07/36/00/570073600.db2.gz	ASKKDZSGXQSJSE-VWEIPLKFSA-N	0	1	460.490	2.749	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248332742	570077728	/nfs/dbraw/zinc/07/77/28/570077728.db2.gz	JDYKBEHBYKZQFT-GFTAFNIFSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248331065	570077745	/nfs/dbraw/zinc/07/77/45/570077745.db2.gz	GLNWQPJYBYNRKG-KEXUJGGDSA-N	0	1	466.881	2.988	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487376	570099745	/nfs/dbraw/zinc/09/97/45/570099745.db2.gz	JKVBXPAQIQGZPG-PPUAZLSFSA-N	0	1	476.489	2.651	50	5		JFBAMN
O=C(NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009708766	194904563	/nfs/dbraw/zinc/90/45/63/194904563.db2.gz	UGWIMPXKVCYOOY-XMMPIXPASA-N	0	1	488.548	2.604	50	5		JFBAMN
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000020762406	195218674	/nfs/dbraw/zinc/21/86/74/195218674.db2.gz	WJAUMKBDDABVQS-UHFFFAOYSA-N	0	1	456.411	2.726	50	5		JFBAMN
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@]21O	ZINC000059410379	195399130	/nfs/dbraw/zinc/39/91/30/195399130.db2.gz	AIXNJADSSZEICA-WLQIYCTRSA-N	0	1	487.597	2.995	50	5	biogenic	JFBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000006093014	554504947	/nfs/dbraw/zinc/50/49/47/554504947.db2.gz	ISUSMYAEXZUBRW-UHFFFAOYSA-N	0	1	465.451	2.624	50	5		JFBAMN
CCN(CC)CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045898	554870240	/nfs/dbraw/zinc/87/02/40/554870240.db2.gz	AZPWOSJYHPODBE-QFIPXVFZSA-N	0	1	493.520	2.562	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000009358169	555122502	/nfs/dbraw/zinc/12/25/02/555122502.db2.gz	PPZSONNTLFUKJX-WGXFTBGVSA-N	0	1	490.516	2.757	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016000677	556105297	/nfs/dbraw/zinc/10/52/97/556105297.db2.gz	QOZZZKKZISDQMQ-BPJRARJCSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016010122	556109448	/nfs/dbraw/zinc/10/94/48/556109448.db2.gz	WONQTOWVPWJVQJ-XVIHEJCXSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851779	569716545	/nfs/dbraw/zinc/71/65/45/569716545.db2.gz	MNSPYMWCHIEMMQ-CCIIEHSASA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851750	569716621	/nfs/dbraw/zinc/71/66/21/569716621.db2.gz	XKDZDNYNWNYBJG-WYMULPSZSA-N	0	1	490.516	2.905	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035852046	569716944	/nfs/dbraw/zinc/71/69/44/569716944.db2.gz	GABKCMHSHTWCJJ-NAZDKBRTSA-N	0	1	460.490	2.897	50	5		JFBAMN
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(CCOc4ccccc4)C[C@H]23)C[C@@H](C)O1	ZINC000035894878	569723228	/nfs/dbraw/zinc/72/32/28/569723228.db2.gz	QESBQKYMLSXDOW-QBIGFDGOSA-N	0	1	494.592	2.973	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)N[C@@]32C(=O)Nc3ccccc32)c(C)cc1[N+](=O)[O-]	ZINC000104097318	569840950	/nfs/dbraw/zinc/84/09/50/569840950.db2.gz	FFBWWZVOBWOVDP-RXYORGTDSA-N	0	1	496.545	2.590	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138124975	569865747	/nfs/dbraw/zinc/86/57/47/569865747.db2.gz	NVRLWMYLXRFBHU-UJAPCULTSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248088032	570073812	/nfs/dbraw/zinc/07/38/12/570073812.db2.gz	GABKCMHSHTWCJJ-IZZGNVEXSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]1[C@H]1CCCN12	ZINC000248113629	570074360	/nfs/dbraw/zinc/07/43/60/570074360.db2.gz	ONDUZDKAUDVKMM-QNGCPFJASA-N	0	1	460.490	2.749	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248337200	570077955	/nfs/dbraw/zinc/07/79/55/570077955.db2.gz	PNDPJSJGPBXDLY-QYNSMDLWSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000252013386	570079742	/nfs/dbraw/zinc/07/97/42/570079742.db2.gz	UHVFHSHMKTYUAX-FKRYTKDZSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@H]2CCCN21	ZINC000252013386	570079743	/nfs/dbraw/zinc/07/97/43/570079743.db2.gz	UHVFHSHMKTYUAX-FKRYTKDZSA-N	0	1	476.489	2.597	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000002359763	194160135	/nfs/dbraw/zinc/16/01/35/194160135.db2.gz	KPLGJLYESKJSKL-HOKASXAUSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000020677796	195202723	/nfs/dbraw/zinc/20/27/23/195202723.db2.gz	ICMIHSBZXUNRNB-UHFFFAOYSA-N	0	1	452.515	2.729	50	5		JFBAMN
O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2)cc1	ZINC000016361027	527361975	/nfs/dbraw/zinc/36/19/75/527361975.db2.gz	VSGZZRPZEMZUBZ-UHFFFAOYSA-N	0	1	499.578	2.705	50	5		JFBAMN
CCN(CC)CC(=O)N1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009045900	554870245	/nfs/dbraw/zinc/87/02/45/554870245.db2.gz	AZPWOSJYHPODBE-JOCHJYFZSA-N	0	1	493.520	2.562	50	5		JFBAMN
NS(=O)(=O)c1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000009470815	555254129	/nfs/dbraw/zinc/25/41/29/555254129.db2.gz	SVGDDJZOVNNXII-UHFFFAOYSA-N	0	1	458.462	2.973	50	5		JFBAMN
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000009714857	555445373	/nfs/dbraw/zinc/44/53/73/555445373.db2.gz	CJGLALWGZLDDAZ-UHFFFAOYSA-N	0	1	455.514	2.579	50	5		JFBAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCN1CCN(Cc2ccccc2)CC1	ZINC000012558305	556047540	/nfs/dbraw/zinc/04/75/40/556047540.db2.gz	DFJUADXJXPYXKR-UHFFFAOYSA-N	0	1	473.599	2.609	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016010314	556110192	/nfs/dbraw/zinc/11/01/92/556110192.db2.gz	HZDWVKGWUBXHGJ-PBQROFAYSA-N	0	1	460.490	2.897	50	5		JFBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1	ZINC000033026708	569621329	/nfs/dbraw/zinc/62/13/29/569621329.db2.gz	GWLBNUYEGWRXIX-UHFFFAOYSA-N	0	1	476.555	2.545	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851904	569716746	/nfs/dbraw/zinc/71/67/46/569716746.db2.gz	VMUQMFUXIVMSOG-PUFAWVJESA-N	0	1	460.490	2.897	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000104022446	569839848	/nfs/dbraw/zinc/83/98/48/569839848.db2.gz	HDZMGJGHYPKOTD-YMGHSFPGSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138109194	569865697	/nfs/dbraw/zinc/86/56/97/569865697.db2.gz	XKDZDNYNWNYBJG-CPVJYWEUSA-N	0	1	490.516	2.905	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138109194	569865698	/nfs/dbraw/zinc/86/56/98/569865698.db2.gz	XKDZDNYNWNYBJG-CPVJYWEUSA-N	0	1	490.516	2.905	50	5		JFBAMN
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(CCOc4ccccc4)C[C@@H]23)C[C@H](C)O1	ZINC000169677274	569868670	/nfs/dbraw/zinc/86/86/70/569868670.db2.gz	QESBQKYMLSXDOW-WNBHKESASA-N	0	1	494.592	2.973	50	5		JFBAMN
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230047973	570044027	/nfs/dbraw/zinc/04/40/27/570044027.db2.gz	GMYYKMJKKIUFBV-NVQXNPDNSA-N	0	1	491.548	2.659	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245246836	570059298	/nfs/dbraw/zinc/05/92/98/570059298.db2.gz	PHUVHVWSULCPLS-ZCGKIOINSA-N	0	1	476.489	2.597	50	5		JFBAMN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@H]2[C@@H](C)O1	ZINC000248020382	570072840	/nfs/dbraw/zinc/07/28/40/570072840.db2.gz	LUOMEPYOYBJMST-LLHUAEEESA-N	0	1	468.441	2.542	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248329287	570077716	/nfs/dbraw/zinc/07/77/16/570077716.db2.gz	DCDMBJTUWWNVQF-VAJHCWEMSA-N	0	1	490.516	2.960	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248336083	570077918	/nfs/dbraw/zinc/07/79/18/570077918.db2.gz	NXBREAHTFNTVLB-AJGMTHFWSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248337256	570077947	/nfs/dbraw/zinc/07/79/47/570077947.db2.gz	PQKBSASVPJIMLH-YWYGCRHHSA-N	0	1	466.881	2.988	50	5		JFBAMN
CCOC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016447427	520543189	/nfs/dbraw/zinc/54/31/89/520543189.db2.gz	UHLRNWDDAIOTPB-OAHLLOKOSA-N	0	1	476.482	2.781	50	5		JFBAMN
CC(C)NC(=O)C1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000009762411	555487437	/nfs/dbraw/zinc/48/74/37/555487437.db2.gz	JHHFETWKDPFIAY-HXUWFJFHSA-N	0	1	488.928	2.597	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000013541610	555489224	/nfs/dbraw/zinc/48/92/24/555489224.db2.gz	KPLGJLYESKJSKL-KHTISZTLSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)n1	ZINC000012137728	555915398	/nfs/dbraw/zinc/91/53/98/555915398.db2.gz	XCYTZWLHDCKRBS-UHFFFAOYSA-N	0	1	457.468	2.820	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000015999258	556104277	/nfs/dbraw/zinc/10/42/77/556104277.db2.gz	QVZAKHWBXOTNEC-CPVJYWEUSA-N	0	1	490.516	2.960	50	5		JFBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000016972618	556192167	/nfs/dbraw/zinc/19/21/67/556192167.db2.gz	MBWTUNSTIINXQH-RDPSFJRHSA-N	0	1	479.493	2.780	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843987	569714755	/nfs/dbraw/zinc/71/47/55/569714755.db2.gz	GLNWQPJYBYNRKG-CROMWVBPSA-N	0	1	466.881	2.988	50	5		JFBAMN
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000035894801	569723126	/nfs/dbraw/zinc/72/31/26/569723126.db2.gz	MHKZCVZPRMMEFO-JTHBVZDNSA-N	0	1	456.518	2.750	50	5		JFBAMN
CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C(=O)OC)c2)C1=O	ZINC000096422943	569740432	/nfs/dbraw/zinc/74/04/32/569740432.db2.gz	IDXWFGIADFPQKK-NDENLUEZSA-N	0	1	491.460	2.928	50	5		JFBAMN
O=c1[nH]c2c(s1)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2	ZINC000102723170	569817273	/nfs/dbraw/zinc/81/72/73/569817273.db2.gz	CXJBOGIOWQBSGB-OFQRWUPVSA-N	0	1	455.473	2.846	50	5		JFBAMN
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2	ZINC000102723174	569817310	/nfs/dbraw/zinc/81/73/10/569817310.db2.gz	CXJBOGIOWQBSGB-IJEWVQPXSA-N	0	1	455.473	2.846	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000104042034	569840040	/nfs/dbraw/zinc/84/00/40/569840040.db2.gz	IDCKTJUEMAKNMI-YMGHSFPGSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138108507	569865655	/nfs/dbraw/zinc/86/56/55/569865655.db2.gz	WONQTOWVPWJVQJ-LOJFUVEFSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138108507	569865656	/nfs/dbraw/zinc/86/56/56/569865656.db2.gz	WONQTOWVPWJVQJ-LOJFUVEFSA-N	0	1	460.490	2.951	50	5		JFBAMN
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(CCOc4ccccc4)C[C@@H]23)C[C@@H](C)O1	ZINC000169677273	569868587	/nfs/dbraw/zinc/86/85/87/569868587.db2.gz	QESBQKYMLSXDOW-MGAFBPAPSA-N	0	1	494.592	2.973	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000229614371	570040778	/nfs/dbraw/zinc/04/07/78/570040778.db2.gz	JCGUMOXBJODQDW-TXNPELCJSA-N	0	1	460.490	2.951	50	5		JFBAMN
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000245246425	570059192	/nfs/dbraw/zinc/05/91/92/570059192.db2.gz	LFTROCONTVASFP-QLDGJZPUSA-N	0	1	454.870	2.829	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245327283	570065102	/nfs/dbraw/zinc/06/51/02/570065102.db2.gz	NVRLWMYLXRFBHU-PEKRRXIPSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245327283	570065103	/nfs/dbraw/zinc/06/51/03/570065103.db2.gz	NVRLWMYLXRFBHU-PEKRRXIPSA-N	0	1	476.489	2.597	50	5		JFBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@H]2C1	ZINC000248027530	570073067	/nfs/dbraw/zinc/07/30/67/570073067.db2.gz	MWEKWZOPTHWTSM-JTHBVZDNSA-N	0	1	469.973	2.890	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@H]1CCCN12	ZINC000248116446	570074315	/nfs/dbraw/zinc/07/43/15/570074315.db2.gz	PPZSONNTLFUKJX-OJELSEKLSA-N	0	1	490.516	2.757	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248332417	570077725	/nfs/dbraw/zinc/07/77/25/570077725.db2.gz	IRQJPZFFSINUDE-MZYVBUQCSA-N	0	1	476.489	2.651	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248329288	570077738	/nfs/dbraw/zinc/07/77/38/570077738.db2.gz	DCDMBJTUWWNVQF-ZGTFLMELSA-N	0	1	490.516	2.960	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248336800	570077922	/nfs/dbraw/zinc/07/79/22/570077922.db2.gz	PBVSOIVDCRGCAE-YRAONVGVSA-N	0	1	466.881	2.988	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000252013387	570079758	/nfs/dbraw/zinc/07/97/58/570079758.db2.gz	UHVFHSHMKTYUAX-XZNRUFCYSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000252013387	570079759	/nfs/dbraw/zinc/07/97/59/570079759.db2.gz	UHVFHSHMKTYUAX-XZNRUFCYSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCOC(=O)C1C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1	ZINC000019530652	520516168	/nfs/dbraw/zinc/51/61/68/520516168.db2.gz	NRZOBNOFYUXBBR-HSZRJFAPSA-N	0	1	495.536	2.597	50	5		JFBAMN
CCOC(=O)C1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000009762929	520566318	/nfs/dbraw/zinc/56/63/18/520566318.db2.gz	OHZAZBLNCVEVQE-IBGZPJMESA-N	0	1	475.885	2.636	50	5		JFBAMN
COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1	ZINC000009122793	524394945	/nfs/dbraw/zinc/39/49/45/524394945.db2.gz	AXULXQUQDJDKTA-AUSIDOKSSA-N	0	1	450.451	2.788	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000002215400	554097576	/nfs/dbraw/zinc/09/75/76/554097576.db2.gz	WONQTOWVPWJVQJ-UJAPCULTSA-N	0	1	460.490	2.951	50	5		JFBAMN
O=C(NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009708763	555433824	/nfs/dbraw/zinc/43/38/24/555433824.db2.gz	XNIZSOUXXKVRAA-DEOSSOPVSA-N	0	1	488.548	2.604	50	5		JFBAMN
O=C(NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000009708764	555433896	/nfs/dbraw/zinc/43/38/96/555433896.db2.gz	XNIZSOUXXKVRAA-XMMPIXPASA-N	0	1	488.548	2.604	50	5		JFBAMN
CC(C)NC(=O)C1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1	ZINC000009762412	555487507	/nfs/dbraw/zinc/48/75/07/555487507.db2.gz	JHHFETWKDPFIAY-FQEVSTJZSA-N	0	1	488.928	2.597	50	5		JFBAMN
CCOC(=O)c1ccc(-n2c(CN3CCN(CC)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000013574139	555512834	/nfs/dbraw/zinc/51/28/34/555512834.db2.gz	NQLYEVAWDIQQER-UHFFFAOYSA-N	0	1	465.510	2.608	50	5		JFBAMN
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC[C@H]2CCCO2)c(OC)c1	ZINC000020155079	555674909	/nfs/dbraw/zinc/67/49/09/555674909.db2.gz	RDQOZVSYVVREHV-MRXNPFEDSA-N	0	1	458.471	2.571	50	5		JFBAMN
Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)s1	ZINC000023108583	556009457	/nfs/dbraw/zinc/00/94/57/556009457.db2.gz	TXEJPKGPQLJKAH-UHFFFAOYSA-N	0	1	461.525	2.502	50	5		JFBAMN
CC(C)C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000012560526	556052570	/nfs/dbraw/zinc/05/25/70/556052570.db2.gz	VNPLLZLHVWUHEX-NRFANRHFSA-N	0	1	490.582	2.872	50	5		JFBAMN
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000024841508	556160328	/nfs/dbraw/zinc/16/03/28/556160328.db2.gz	OCCQEJWQHDCTRE-UHFFFAOYSA-N	0	1	499.427	2.516	50	5		JFBAMN
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@]21O	ZINC000061996988	569609581	/nfs/dbraw/zinc/60/95/81/569609581.db2.gz	AIXNJADSSZEICA-MPHOMUCDSA-N	0	1	487.597	2.995	50	5	biogenic	JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000034868770	569668120	/nfs/dbraw/zinc/66/81/20/569668120.db2.gz	PBVSOIVDCRGCAE-YQYRJILISA-N	0	1	466.881	2.988	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035855372	569716897	/nfs/dbraw/zinc/71/68/97/569716897.db2.gz	UHVFHSHMKTYUAX-MASGSYHESA-N	0	1	476.489	2.597	50	5		JFBAMN
O=c1[nH]c2c(s1)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2	ZINC000102723168	569817323	/nfs/dbraw/zinc/81/73/23/569817323.db2.gz	CXJBOGIOWQBSGB-IIAWOOMASA-N	0	1	455.473	2.846	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	ZINC000138305020	569865805	/nfs/dbraw/zinc/86/58/05/569865805.db2.gz	JBEVVQKBUZUCMO-YIKPNSEUSA-N	0	1	466.519	2.581	50	5		JFBAMN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677752	569868917	/nfs/dbraw/zinc/86/89/17/569868917.db2.gz	ZDTVPEAYCYPOHA-IRLDBZIGSA-N	0	1	458.946	2.874	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245327280	570065118	/nfs/dbraw/zinc/06/51/18/570065118.db2.gz	NVRLWMYLXRFBHU-CKRAVPEWSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@H]2[C@H]2CCCN21	ZINC000245327280	570065119	/nfs/dbraw/zinc/06/51/19/570065119.db2.gz	NVRLWMYLXRFBHU-CKRAVPEWSA-N	0	1	476.489	2.597	50	5		JFBAMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000247300868	570067689	/nfs/dbraw/zinc/06/76/89/570067689.db2.gz	FAUSJBUQIDAASR-BREDGVMVSA-N	0	1	452.854	2.679	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000247986750	570071995	/nfs/dbraw/zinc/07/19/95/570071995.db2.gz	JXRUVWHDCWOPEW-IBSUQTTCSA-N	0	1	460.490	2.749	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248331047	570077732	/nfs/dbraw/zinc/07/77/32/570077732.db2.gz	GKDNGYRMOYIJID-BPJRARJCSA-N	0	1	476.489	2.651	50	5		JFBAMN
COc1cc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c(OC)c1OC	ZINC000025226971	522108828	/nfs/dbraw/zinc/10/88/28/522108828.db2.gz	QELJULUUAWYEMN-UHFFFAOYSA-N	0	1	472.542	2.871	50	5		JFBAMN
COc1ccccc1C(=O)NC(=O)COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C	ZINC000008882928	524345335	/nfs/dbraw/zinc/34/53/35/524345335.db2.gz	RCXGVMLGPYWLKG-IBGZPJMESA-N	0	1	491.884	2.511	50	5		JFBAMN
COc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2=O)cc1OC	ZINC000002712648	554298326	/nfs/dbraw/zinc/29/83/26/554298326.db2.gz	CFOIGWXDQRTJSA-UHFFFAOYSA-N	0	1	457.468	2.822	50	5		JFBAMN
O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000008913985	554807109	/nfs/dbraw/zinc/80/71/09/554807109.db2.gz	ONZDGOPQZWNPHF-UHFFFAOYSA-N	0	1	483.510	2.796	50	5		JFBAMN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC[C@@H]2CCCO2)cc1	ZINC000020155082	555675073	/nfs/dbraw/zinc/67/50/73/555675073.db2.gz	SYNYIKHAWIVCFK-SFHVURJKSA-N	0	1	470.482	2.731	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000015969384	556095349	/nfs/dbraw/zinc/09/53/49/556095349.db2.gz	JXJJMGSQELOSHD-OFCWLIIESA-N	0	1	490.516	2.905	50	5	biogenic	JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000015999299	556104639	/nfs/dbraw/zinc/10/46/39/556104639.db2.gz	DCDMBJTUWWNVQF-CPVJYWEUSA-N	0	1	490.516	2.960	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016010241	556109723	/nfs/dbraw/zinc/10/97/23/556109723.db2.gz	MNSPYMWCHIEMMQ-DNBVQBCISA-N	0	1	476.489	2.597	50	5		JFBAMN
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)N[C@]21C(=O)Nc2ccccc21	ZINC000016011814	556110559	/nfs/dbraw/zinc/11/05/59/556110559.db2.gz	OUHKGQMISZFWAN-XUTUTRJZSA-N	0	1	498.495	2.777	50	5		JFBAMN
CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	ZINC000016042104	556121833	/nfs/dbraw/zinc/12/18/33/556121833.db2.gz	JBEVVQKBUZUCMO-YQYRJILISA-N	0	1	466.519	2.581	50	5	biogenic	JFBAMN
COc1ccc(NC(=O)CCn2cnc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000024745652	556147774	/nfs/dbraw/zinc/14/77/74/556147774.db2.gz	IZEBJDVVGDUNJN-UHFFFAOYSA-N	0	1	463.447	2.769	50	5		JFBAMN
CN1CCN(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	ZINC000031784622	556404440	/nfs/dbraw/zinc/40/44/40/556404440.db2.gz	ZZAAMESKLOEFBK-HSZRJFAPSA-N	0	1	473.599	2.780	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851659	569716611	/nfs/dbraw/zinc/71/66/11/569716611.db2.gz	ZFVZIBJAYAXLND-NAZDKBRTSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000102869574	569825728	/nfs/dbraw/zinc/82/57/28/569825728.db2.gz	PHUVHVWSULCPLS-OIBPMIBVSA-N	0	1	476.489	2.597	50	5		JFBAMN
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000106014495	569853659	/nfs/dbraw/zinc/85/36/59/569853659.db2.gz	LFTROCONTVASFP-SUWCGCSTSA-N	0	1	454.870	2.829	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138111973	569865594	/nfs/dbraw/zinc/86/55/94/569865594.db2.gz	HZDWVKGWUBXHGJ-ZDQHKECQSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138111973	569865595	/nfs/dbraw/zinc/86/55/95/569865595.db2.gz	HZDWVKGWUBXHGJ-ZDQHKECQSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	ZINC000230047976	570044040	/nfs/dbraw/zinc/04/40/40/570044040.db2.gz	GMYYKMJKKIUFBV-BKMJKUGQSA-N	0	1	491.548	2.659	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245247794	570059422	/nfs/dbraw/zinc/05/94/22/570059422.db2.gz	XKDZDNYNWNYBJG-GFMVQQFFSA-N	0	1	490.516	2.905	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248002648	570072514	/nfs/dbraw/zinc/07/25/14/570072514.db2.gz	UDGNBLFELYPSCF-XZNRUFCYSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248002648	570072515	/nfs/dbraw/zinc/07/25/15/570072515.db2.gz	UDGNBLFELYPSCF-XZNRUFCYSA-N	0	1	460.490	2.897	50	5		JFBAMN
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@H]2C1	ZINC000248027529	570072978	/nfs/dbraw/zinc/07/29/78/570072978.db2.gz	MWEKWZOPTHWTSM-FYYLOGMGSA-N	0	1	469.973	2.890	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000248074454	570073597	/nfs/dbraw/zinc/07/35/97/570073597.db2.gz	ASKKDZSGXQSJSE-UKDJSQQHSA-N	0	1	460.490	2.749	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)CN1CCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000006078885	525466625	/nfs/dbraw/zinc/46/66/25/525466625.db2.gz	WRECFHZHERSMRQ-IBGZPJMESA-N	0	1	463.556	2.954	50	5		JFBAMN
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000014943769	526972666	/nfs/dbraw/zinc/97/26/66/526972666.db2.gz	KVVYMIKSWPHUSH-DFFZLKDPSA-N	0	1	497.895	2.984	50	5		JFBAMN
COc1ccc([C@@H](CNC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCCC2)cc1	ZINC000014182774	555724134	/nfs/dbraw/zinc/72/41/34/555724134.db2.gz	YFYGSFORLWILDZ-HXUWFJFHSA-N	0	1	454.483	2.855	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000020283996	555753654	/nfs/dbraw/zinc/75/36/54/555753654.db2.gz	RSAIWTRIYTUEMB-JOCHJYFZSA-N	0	1	465.510	2.588	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1	ZINC000020560216	555811002	/nfs/dbraw/zinc/81/10/02/555811002.db2.gz	FYHAYARQYWMZCL-HSZRJFAPSA-N	0	1	479.537	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016009877	556108983	/nfs/dbraw/zinc/10/89/83/556108983.db2.gz	ZFVZIBJAYAXLND-UGCAPWQASA-N	0	1	460.490	2.897	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]21	ZINC000016010064	556109093	/nfs/dbraw/zinc/10/90/93/556109093.db2.gz	PABJJFGGOMAVAZ-FAODYONGSA-N	0	1	466.519	2.581	50	5		JFBAMN
CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]21	ZINC000016042103	556121865	/nfs/dbraw/zinc/12/18/65/556121865.db2.gz	JBEVVQKBUZUCMO-QYUDBREXSA-N	0	1	466.519	2.581	50	5	biogenic	JFBAMN
COc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]	ZINC000032781158	556493709	/nfs/dbraw/zinc/49/37/09/556493709.db2.gz	LDWPOASSYDQSKR-UHFFFAOYSA-N	0	1	460.918	2.767	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035843211	569714384	/nfs/dbraw/zinc/71/43/84/569714384.db2.gz	SAEDGDGIBNELAE-PUFAWVJESA-N	0	1	460.490	2.951	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000035851804	569716560	/nfs/dbraw/zinc/71/65/60/569716560.db2.gz	HZDWVKGWUBXHGJ-PUFAWVJESA-N	0	1	460.490	2.897	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000035855595	569716888	/nfs/dbraw/zinc/71/68/88/569716888.db2.gz	ONDUZDKAUDVKMM-ZHBILRMLSA-N	0	1	460.490	2.749	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138117028	569865658	/nfs/dbraw/zinc/86/56/58/569865658.db2.gz	JCGUMOXBJODQDW-ZDQHKECQSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138117028	569865659	/nfs/dbraw/zinc/86/56/59/569865659.db2.gz	JCGUMOXBJODQDW-ZDQHKECQSA-N	0	1	460.490	2.951	50	5		JFBAMN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677753	569868859	/nfs/dbraw/zinc/86/88/59/569868859.db2.gz	ZDTVPEAYCYPOHA-UNMCSNQZSA-N	0	1	458.946	2.874	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000245247547	570059459	/nfs/dbraw/zinc/05/94/59/570059459.db2.gz	VMUQMFUXIVMSOG-LWIATZKVSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000245325936	570064468	/nfs/dbraw/zinc/06/44/68/570064468.db2.gz	HZDWVKGWUBXHGJ-LWIATZKVSA-N	0	1	460.490	2.897	50	5		JFBAMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000247316251	570067879	/nfs/dbraw/zinc/06/78/79/570067879.db2.gz	KFEVPYJQFFLOEZ-VXCZRNDOSA-N	0	1	452.854	2.679	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCCN12	ZINC000247986753	570072021	/nfs/dbraw/zinc/07/20/21/570072021.db2.gz	JXRUVWHDCWOPEW-QNGCPFJASA-N	0	1	460.490	2.749	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	ZINC000248099062	570074181	/nfs/dbraw/zinc/07/41/81/570074181.db2.gz	JBEVVQKBUZUCMO-CVFMPKEZSA-N	0	1	466.519	2.581	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248331050	570077748	/nfs/dbraw/zinc/07/77/48/570077748.db2.gz	GKDNGYRMOYIJID-LOJFUVEFSA-N	0	1	476.489	2.651	50	5		JFBAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000002260497	194158794	/nfs/dbraw/zinc/15/87/94/194158794.db2.gz	KFEVPYJQFFLOEZ-PBWVOLNLSA-N	0	1	452.854	2.679	50	5		JFBAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000002260497	194158798	/nfs/dbraw/zinc/15/87/98/194158798.db2.gz	KFEVPYJQFFLOEZ-PBWVOLNLSA-N	0	1	452.854	2.679	50	5		JFBAMN
CCOC(=O)[C@@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OCC	ZINC000016805033	521142462	/nfs/dbraw/zinc/14/24/62/521142462.db2.gz	UJBMHTQZNUGEQA-SGMGOOAPSA-N	0	1	454.482	2.811	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000002432127	554205562	/nfs/dbraw/zinc/20/55/62/554205562.db2.gz	VMUQMFUXIVMSOG-ZDQHKECQSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000009360563	555123669	/nfs/dbraw/zinc/12/36/69/555123669.db2.gz	UDGNBLFELYPSCF-MASGSYHESA-N	0	1	460.490	2.897	50	5		JFBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1	ZINC000009714656	555444211	/nfs/dbraw/zinc/44/42/11/555444211.db2.gz	VMJRPDWSVRCKFM-UHFFFAOYSA-N	0	1	455.496	2.998	50	5		JFBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)c1	ZINC000009720973	555452763	/nfs/dbraw/zinc/45/27/63/555452763.db2.gz	XDXZFPIVQBYZFG-UHFFFAOYSA-N	0	1	461.521	2.917	50	5		JFBAMN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC[C@H]2CCCO2)cc1	ZINC000020155083	555675062	/nfs/dbraw/zinc/67/50/62/555675062.db2.gz	SYNYIKHAWIVCFK-GOSISDBHSA-N	0	1	470.482	2.731	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)NC(=O)N[C@H]1c1ccccc1	ZINC000020283999	555753612	/nfs/dbraw/zinc/75/36/12/555753612.db2.gz	RSAIWTRIYTUEMB-QFIPXVFZSA-N	0	1	465.510	2.588	50	5		JFBAMN
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000015996239	556102882	/nfs/dbraw/zinc/10/28/82/556102882.db2.gz	PPZSONNTLFUKJX-OFCWLIIESA-N	0	1	490.516	2.757	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016000800	556105288	/nfs/dbraw/zinc/10/52/88/556105288.db2.gz	IDCKTJUEMAKNMI-XVIHEJCXSA-N	0	1	460.490	2.951	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016009817	556108679	/nfs/dbraw/zinc/10/86/79/556108679.db2.gz	PHUVHVWSULCPLS-KHTISZTLSA-N	0	1	476.489	2.597	50	5		JFBAMN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870335	569718301	/nfs/dbraw/zinc/71/83/01/569718301.db2.gz	ZDTVPEAYCYPOHA-IFMALSPDSA-N	0	1	458.946	2.874	50	5		JFBAMN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000138083165	569865689	/nfs/dbraw/zinc/86/56/89/569865689.db2.gz	PQKBSASVPJIMLH-XITLKHQFSA-N	0	1	466.881	2.988	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000245247546	570059485	/nfs/dbraw/zinc/05/94/85/570059485.db2.gz	VMUQMFUXIVMSOG-GBWYYYKWSA-N	0	1	460.490	2.897	50	5		JFBAMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000247316242	570067830	/nfs/dbraw/zinc/06/78/30/570067830.db2.gz	KFEVPYJQFFLOEZ-BREDGVMVSA-N	0	1	452.854	2.679	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000248122842	570074607	/nfs/dbraw/zinc/07/46/07/570074607.db2.gz	STZFWFBWYIPTPF-UKDJSQQHSA-N	0	1	460.490	2.749	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248333804	570077709	/nfs/dbraw/zinc/07/77/09/570077709.db2.gz	KPLGJLYESKJSKL-MZYVBUQCSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248332741	570077751	/nfs/dbraw/zinc/07/77/51/570077751.db2.gz	JDYKBEHBYKZQFT-AJGMTHFWSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248333805	570077754	/nfs/dbraw/zinc/07/77/54/570077754.db2.gz	KPLGJLYESKJSKL-UOMSLYCOSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	ZINC000009908006	195018853	/nfs/dbraw/zinc/01/88/53/195018853.db2.gz	FDXVRGHIJYBJBB-UHFFFAOYSA-N	0	1	497.552	2.612	50	5		JFBAMN
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000002445019	554212205	/nfs/dbraw/zinc/21/22/05/554212205.db2.gz	SAEDGDGIBNELAE-ZDQHKECQSA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000002551740	554235326	/nfs/dbraw/zinc/23/53/26/554235326.db2.gz	IXQAWQIJTFPSNN-UHFFFAOYSA-N	0	1	486.535	2.929	50	5		JFBAMN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl	ZINC000009373512	555135358	/nfs/dbraw/zinc/13/53/58/555135358.db2.gz	WJXRIBGPUKJVPH-UHFFFAOYSA-N	0	1	496.350	2.723	50	5		JFBAMN
O=C(NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009708765	555433864	/nfs/dbraw/zinc/43/38/64/555433864.db2.gz	UGWIMPXKVCYOOY-DEOSSOPVSA-N	0	1	488.548	2.604	50	5		JFBAMN
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNCc2cccnc2)cc(OC)c1	ZINC000020154991	555674617	/nfs/dbraw/zinc/67/46/17/555674617.db2.gz	SKJVWDNJNKZKJD-UHFFFAOYSA-N	0	1	465.466	2.988	50	5		JFBAMN
CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(OC)ccc3O)cn2)c([N+](=O)[O-])c1	ZINC000012538382	556011902	/nfs/dbraw/zinc/01/19/02/556011902.db2.gz	RKHJNBFXDGIDAP-UHFFFAOYSA-N	0	1	474.495	2.756	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016001125	556106018	/nfs/dbraw/zinc/10/60/18/556106018.db2.gz	GLNWQPJYBYNRKG-QPXQOZNCSA-N	0	1	466.881	2.988	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016001766	556106721	/nfs/dbraw/zinc/10/67/21/556106721.db2.gz	NXBREAHTFNTVLB-PBQROFAYSA-N	0	1	460.490	2.951	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000016001881	556106890	/nfs/dbraw/zinc/10/68/90/556106890.db2.gz	PNDPJSJGPBXDLY-LJZUKVSMSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016012906	556111742	/nfs/dbraw/zinc/11/17/42/556111742.db2.gz	NVRLWMYLXRFBHU-XVIHEJCXSA-N	0	1	476.489	2.597	50	5		JFBAMN
CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	ZINC000016042102	556121906	/nfs/dbraw/zinc/12/19/06/556121906.db2.gz	JBEVVQKBUZUCMO-NZQNYPKQSA-N	0	1	466.519	2.581	50	5	biogenic	JFBAMN
CN(C)CCNS(=O)(=O)c1ccc(NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1	ZINC000028800648	556341097	/nfs/dbraw/zinc/34/10/97/556341097.db2.gz	DZPFJYSQOKSLEE-UHFFFAOYSA-N	0	1	462.450	2.945	50	5		JFBAMN
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCN(CCOc4ccccc4)C[C@H]23)C[C@H](C)O1	ZINC000035894874	569723241	/nfs/dbraw/zinc/72/32/41/569723241.db2.gz	QESBQKYMLSXDOW-RFRNZTGYSA-N	0	1	494.592	2.973	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000049721896	569850212	/nfs/dbraw/zinc/85/02/12/569850212.db2.gz	PNDPJSJGPBXDLY-YVMWEGPTSA-N	0	1	476.489	2.651	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000136640328	569864786	/nfs/dbraw/zinc/86/47/86/569864786.db2.gz	JXRUVWHDCWOPEW-HOSCZWGSSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000136640328	569864787	/nfs/dbraw/zinc/86/47/87/569864787.db2.gz	JXRUVWHDCWOPEW-HOSCZWGSSA-N	0	1	460.490	2.749	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21	ZINC000245247795	570059393	/nfs/dbraw/zinc/05/93/93/570059393.db2.gz	XKDZDNYNWNYBJG-JLUIAWOOSA-N	0	1	490.516	2.905	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@H](CCSC)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248085506	570073733	/nfs/dbraw/zinc/07/37/33/570073733.db2.gz	FFBWWZVOBWOVDP-MGXMAZEZSA-N	0	1	496.545	2.590	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]21	ZINC000248099065	570074147	/nfs/dbraw/zinc/07/41/47/570074147.db2.gz	JBEVVQKBUZUCMO-JPHBTFASSA-N	0	1	466.519	2.581	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248338174	570077839	/nfs/dbraw/zinc/07/78/39/570077839.db2.gz	QVZAKHWBXOTNEC-VAJHCWEMSA-N	0	1	490.516	2.960	50	5		JFBAMN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248337255	570077884	/nfs/dbraw/zinc/07/78/84/570077884.db2.gz	PQKBSASVPJIMLH-CNWOVPGOSA-N	0	1	466.881	2.988	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000252001631	570079661	/nfs/dbraw/zinc/07/96/61/570079661.db2.gz	MNSPYMWCHIEMMQ-DFSVQXFESA-N	0	1	476.489	2.597	50	5		JFBAMN
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2nc3ccccc3c(=O)n2c1	ZINC000004767663	194398355	/nfs/dbraw/zinc/39/83/55/194398355.db2.gz	GYBUUWJQUNLPMO-UHFFFAOYSA-N	0	1	459.525	2.929	50	5		JFBAMN
CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000012523183	521699898	/nfs/dbraw/zinc/69/98/98/521699898.db2.gz	MJAFQVWRTNXIHR-UHFFFAOYSA-N	0	1	491.570	2.757	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)CN1CCCCC1)S(=O)(=O)c1ccc(C)cc1	ZINC000006078884	525465222	/nfs/dbraw/zinc/46/52/22/525465222.db2.gz	WRECFHZHERSMRQ-LJQANCHMSA-N	0	1	463.556	2.954	50	5		JFBAMN
O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000020576231	555831162	/nfs/dbraw/zinc/83/11/62/555831162.db2.gz	RYLJMUPJQOFCDD-UHFFFAOYSA-N	0	1	462.422	2.939	50	5		JFBAMN
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016000701	556105270	/nfs/dbraw/zinc/10/52/70/556105270.db2.gz	IRQJPZFFSINUDE-HOKASXAUSA-N	0	1	476.489	2.651	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016000867	556105638	/nfs/dbraw/zinc/10/56/38/556105638.db2.gz	PBVSOIVDCRGCAE-QYUDBREXSA-N	0	1	466.881	2.988	50	5		JFBAMN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCCN1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016001662	556106936	/nfs/dbraw/zinc/10/69/36/556106936.db2.gz	QPMCFPFDNOSRMU-UJAPCULTSA-N	0	1	476.489	2.651	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]21	ZINC000016009611	556108140	/nfs/dbraw/zinc/10/81/40/556108140.db2.gz	QBUOBADNLLMEEU-HZNUMKHLSA-N	0	1	466.519	2.581	50	5		JFBAMN
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016011751	556110628	/nfs/dbraw/zinc/11/06/28/556110628.db2.gz	VMUQMFUXIVMSOG-PBQROFAYSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCCN21	ZINC000016012746	556111701	/nfs/dbraw/zinc/11/17/01/556111701.db2.gz	UHVFHSHMKTYUAX-BINBFKAUSA-N	0	1	476.489	2.597	50	5		JFBAMN
CCOC(=O)C1=C(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)NC(=O)N[C@@H]1c1ccccc1	ZINC000024767480	556153178	/nfs/dbraw/zinc/15/31/78/556153178.db2.gz	RPRRWWBODYREBG-JOCHJYFZSA-N	0	1	465.510	2.588	50	5		JFBAMN
O=C(c1ccco1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	ZINC000017154324	556227699	/nfs/dbraw/zinc/22/76/99/556227699.db2.gz	AQSJEOBDIDWRJT-UHFFFAOYSA-N	0	1	484.490	2.587	50	5		JFBAMN
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000034793150	569660691	/nfs/dbraw/zinc/66/06/91/569660691.db2.gz	NXBREAHTFNTVLB-MVOHMCPASA-N	0	1	460.490	2.951	50	5		JFBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000102779029	569823682	/nfs/dbraw/zinc/82/36/82/569823682.db2.gz	NLJFZWILDCTVKR-MIJFPBIKSA-N	0	1	464.478	2.711	50	5		JFBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1	ZINC000102782285	569823685	/nfs/dbraw/zinc/82/36/85/569823685.db2.gz	VIKGSKDCLWACFL-MIJFPBIKSA-N	0	1	464.478	2.711	50	5		JFBAMN
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21	ZINC000103548787	569836105	/nfs/dbraw/zinc/83/61/05/569836105.db2.gz	PQKBSASVPJIMLH-VGHKVXAASA-N	0	1	466.881	2.988	50	5		JFBAMN
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12	ZINC000106017294	569853649	/nfs/dbraw/zinc/85/36/49/569853649.db2.gz	PABJJFGGOMAVAZ-YIKPNSEUSA-N	0	1	466.519	2.581	50	5		JFBAMN
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328554	570065940	/nfs/dbraw/zinc/06/59/40/570065940.db2.gz	UZDODSAFDFBGJD-AUSIDOKSSA-N	0	1	483.912	2.789	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248002644	570072404	/nfs/dbraw/zinc/07/24/04/570072404.db2.gz	UDGNBLFELYPSCF-FKRYTKDZSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248002644	570072405	/nfs/dbraw/zinc/07/24/05/570072405.db2.gz	UDGNBLFELYPSCF-FKRYTKDZSA-N	0	1	460.490	2.897	50	5		JFBAMN
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000248116450	570074257	/nfs/dbraw/zinc/07/42/57/570074257.db2.gz	PPZSONNTLFUKJX-XIBGDNMGSA-N	0	1	490.516	2.757	50	5		JFBAMN
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21	ZINC000248135478	570075108	/nfs/dbraw/zinc/07/51/08/570075108.db2.gz	ZFVZIBJAYAXLND-AIFLQVKLSA-N	0	1	460.490	2.897	50	5		JFBAMN
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21	ZINC000248336802	570077961	/nfs/dbraw/zinc/07/79/61/570077961.db2.gz	PBVSOIVDCRGCAE-ZQDYSYBYSA-N	0	1	466.881	2.988	50	5		JFBAMN
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487377	570099755	/nfs/dbraw/zinc/09/97/55/570099755.db2.gz	JKVBXPAQIQGZPG-VNNIKUAHSA-N	0	1	476.489	2.651	50	5		JFBAMN