smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](O)C[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1	ZINC000106398258	204192850	/nfs/dbraw/zinc/19/28/50/204192850.db2.gz	YTVHKBOTEUQHDP-ZDUSSCGKSA-N	1	1	336.392	0.922	10	5		ECBEMO
C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCOCC1	ZINC000245592307	165110252	/nfs/dbraw/zinc/11/02/52/165110252.db2.gz	PZHKJZIEORFKAU-DZGCQCFKSA-N	1	1	336.392	0.409	10	5		ECBEMO
C[N@H+]1CCO[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21	ZINC000153153244	277124538	/nfs/dbraw/zinc/12/45/38/277124538.db2.gz	NHYFHXUSQHVDDS-UONOGXRCSA-N	1	1	331.332	0.351	10	5		ECBEMO
C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCOCC1	ZINC000301448338	437123242	/nfs/dbraw/zinc/12/32/42/437123242.db2.gz	WIDOZBQOQKSNNV-CQSZACIVSA-N	1	1	340.336	0.998	10	5		ECBEMO
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[N@H+]2CCC[C@@H]2C1	ZINC000172502675	609773077	/nfs/dbraw/zinc/77/30/77/609773077.db2.gz	XWUSZERYEUUQMU-LLVKDONJSA-N	1	1	330.344	0.928	10	5		ECBEMO
C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCOCC1	ZINC000132506638	205328652	/nfs/dbraw/zinc/32/86/52/205328652.db2.gz	PZHKJZIEORFKAU-HIFRSBDPSA-N	1	1	336.392	0.409	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000117278467	221041423	/nfs/dbraw/zinc/04/14/23/221041423.db2.gz	LNYOWSRRBLNAES-ZDUSSCGKSA-N	1	1	339.396	0.751	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000117278467	221041426	/nfs/dbraw/zinc/04/14/26/221041426.db2.gz	LNYOWSRRBLNAES-ZDUSSCGKSA-N	1	1	339.396	0.751	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000247218272	165155756	/nfs/dbraw/zinc/15/57/56/165155756.db2.gz	QHSAWPVUMFWEQX-RYUDHWBXSA-N	1	1	336.392	0.581	10	5		ECBEMO
CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1CCOC	ZINC000105791399	436578805	/nfs/dbraw/zinc/57/88/05/436578805.db2.gz	WXJAKUUSEVHWTQ-NSHDSACASA-N	1	1	337.380	0.636	10	5		ECBEMO
C[N@H+]1CCO[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]21	ZINC000301663275	437127959	/nfs/dbraw/zinc/12/79/59/437127959.db2.gz	NHYFHXUSQHVDDS-KGLIPLIRSA-N	1	1	331.332	0.763	10	5		ECBEMO
CCOCCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782500	437087125	/nfs/dbraw/zinc/08/71/25/437087125.db2.gz	YLCRPIPAYIHMBT-ZFWWWQNUSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000174782500	437087128	/nfs/dbraw/zinc/08/71/28/437087128.db2.gz	YLCRPIPAYIHMBT-ZFWWWQNUSA-N	1	1	341.412	0.195	10	5		ECBEMO
CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000247941363	436798295	/nfs/dbraw/zinc/79/82/95/436798295.db2.gz	ABVCROSHFKNFAQ-DZGCQCFKSA-N	1	1	337.376	0.887	10	5		ECBEMO
CC(C)[N@@H+](C)CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130111172	528812683	/nfs/dbraw/zinc/81/26/83/528812683.db2.gz	YANFZVIMKVZVCS-DZGCQCFKSA-N	1	1	325.365	0.446	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C	ZINC000174292659	207008155	/nfs/dbraw/zinc/00/81/55/207008155.db2.gz	YTTSAVGRWOVEIG-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C	ZINC000174292659	207008157	/nfs/dbraw/zinc/00/81/57/207008157.db2.gz	YTTSAVGRWOVEIG-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3cccnn3)CC2)c1	ZINC000174780871	207058526	/nfs/dbraw/zinc/05/85/26/207058526.db2.gz	GXYSEXIERAFMEL-AWEZNQCLSA-N	1	1	347.379	0.155	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C	ZINC000117283636	221044502	/nfs/dbraw/zinc/04/45/02/221044502.db2.gz	LTCZZPPWEYWHSG-GFCCVEGCSA-N	1	1	339.396	0.669	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C	ZINC000117283636	221044506	/nfs/dbraw/zinc/04/45/06/221044506.db2.gz	LTCZZPPWEYWHSG-GFCCVEGCSA-N	1	1	339.396	0.669	10	5		ECBEMO
CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174782588	437088068	/nfs/dbraw/zinc/08/80/68/437088068.db2.gz	OXGVMOXOBLUBKK-HIFRSBDPSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174782588	437088072	/nfs/dbraw/zinc/08/80/72/437088072.db2.gz	OXGVMOXOBLUBKK-HIFRSBDPSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C	ZINC000105791272	436578643	/nfs/dbraw/zinc/57/86/43/436578643.db2.gz	QSUDTSJLNDAWAY-NSHDSACASA-N	1	1	337.380	0.636	10	5		ECBEMO
CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C	ZINC000105791272	436578647	/nfs/dbraw/zinc/57/86/47/436578647.db2.gz	QSUDTSJLNDAWAY-NSHDSACASA-N	1	1	337.380	0.636	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C	ZINC000117292500	436656187	/nfs/dbraw/zinc/65/61/87/436656187.db2.gz	YJWKGISYTAHSLR-GFCCVEGCSA-N	1	1	339.396	0.669	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@H]1C	ZINC000117292500	436656192	/nfs/dbraw/zinc/65/61/92/436656192.db2.gz	YJWKGISYTAHSLR-GFCCVEGCSA-N	1	1	339.396	0.669	10	5		ECBEMO
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000171939395	436993122	/nfs/dbraw/zinc/99/31/22/436993122.db2.gz	QRJPIBHCGHWSNN-SNVBAGLBSA-N	1	1	326.378	0.527	10	5		ECBEMO
CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000181535785	437325047	/nfs/dbraw/zinc/32/50/47/437325047.db2.gz	QLGXGRXTKNLHRX-GXTWGEPZSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1N1CCOCC1	ZINC000132506870	205329476	/nfs/dbraw/zinc/32/94/76/205329476.db2.gz	PZHKJZIEORFKAU-ZFWWWQNUSA-N	1	1	336.392	0.409	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000174341201	533674971	/nfs/dbraw/zinc/67/49/71/533674971.db2.gz	GIAFDYDIAKJXTO-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000174341201	533674976	/nfs/dbraw/zinc/67/49/76/533674976.db2.gz	GIAFDYDIAKJXTO-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@H](C)O	ZINC000245574444	165109639	/nfs/dbraw/zinc/10/96/39/165109639.db2.gz	DUYSZQIQGQRZHK-UONOGXRCSA-N	1	1	338.408	0.534	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000246649597	165140551	/nfs/dbraw/zinc/14/05/51/165140551.db2.gz	GIAFDYDIAKJXTO-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000246649597	165140563	/nfs/dbraw/zinc/14/05/63/165140563.db2.gz	GIAFDYDIAKJXTO-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1	ZINC000154809490	436785374	/nfs/dbraw/zinc/78/53/74/436785374.db2.gz	VDNBAKASCRWBTK-QWRGUYRKSA-N	1	1	333.348	0.734	10	5		ECBEMO
C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1	ZINC000154809490	436785376	/nfs/dbraw/zinc/78/53/76/436785376.db2.gz	VDNBAKASCRWBTK-QWRGUYRKSA-N	1	1	333.348	0.734	10	5		ECBEMO
Cc1c(F)cc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-]	ZINC000193312496	240102689	/nfs/dbraw/zinc/10/26/89/240102689.db2.gz	JCNKDAZDDMMCIK-UHFFFAOYSA-N	1	1	327.284	0.915	10	5		ECBEMO
CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@@H](C)O	ZINC000131814125	205303957	/nfs/dbraw/zinc/30/39/57/205303957.db2.gz	DUYSZQIQGQRZHK-KGLIPLIRSA-N	1	1	338.408	0.534	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000106395970	436593423	/nfs/dbraw/zinc/59/34/23/436593423.db2.gz	LTYQCRJIJUEYOV-AWEZNQCLSA-N	1	1	337.376	0.889	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1	ZINC000106398294	436593584	/nfs/dbraw/zinc/59/35/84/436593584.db2.gz	VDROHUMAPZEDDW-ZDUSSCGKSA-N	1	1	339.396	0.405	10	5		ECBEMO
C[NH+](C)C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000116793523	436652836	/nfs/dbraw/zinc/65/28/36/436652836.db2.gz	OOBYGBDAPHOZMI-NSHDSACASA-N	1	1	333.348	0.874	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000152262845	436724792	/nfs/dbraw/zinc/72/47/92/436724792.db2.gz	XXPQQAWTPLBQHT-DZGCQCFKSA-N	1	1	333.348	0.701	10	5		ECBEMO
C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1	ZINC000154809582	436785101	/nfs/dbraw/zinc/78/51/01/436785101.db2.gz	VDNBAKASCRWBTK-MNOVXSKESA-N	1	1	333.348	0.734	10	5		ECBEMO
C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1	ZINC000154809582	436785103	/nfs/dbraw/zinc/78/51/03/436785103.db2.gz	VDNBAKASCRWBTK-MNOVXSKESA-N	1	1	333.348	0.734	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1CC	ZINC000160428166	436873682	/nfs/dbraw/zinc/87/36/82/436873682.db2.gz	HIBRGYYFHJLQSQ-NSHDSACASA-N	1	1	325.369	0.891	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H]1CC	ZINC000160428166	436873684	/nfs/dbraw/zinc/87/36/84/436873684.db2.gz	HIBRGYYFHJLQSQ-NSHDSACASA-N	1	1	325.369	0.891	10	5		ECBEMO
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CC[N@H+]2CCC[C@H]2C1	ZINC000247223817	608637166	/nfs/dbraw/zinc/63/71/66/608637166.db2.gz	XWUSZERYEUUQMU-NSHDSACASA-N	1	1	330.344	0.928	10	5		ECBEMO
NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000246183636	165124883	/nfs/dbraw/zinc/12/48/83/165124883.db2.gz	QRJPIBHCGHWSNN-JTQLQIEISA-N	1	1	326.378	0.527	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCN(c3cccnn3)CC2)c1	ZINC000246677305	436782945	/nfs/dbraw/zinc/78/29/45/436782945.db2.gz	GXYSEXIERAFMEL-CQSZACIVSA-N	1	1	347.379	0.155	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000247148036	436790062	/nfs/dbraw/zinc/79/00/62/436790062.db2.gz	LJLNQARRTWNWAQ-OLZOCXBDSA-N	1	1	336.392	0.920	10	5		ECBEMO
CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O	ZINC000174616149	529362604	/nfs/dbraw/zinc/36/26/04/529362604.db2.gz	ZTZYDOKSVDTLNN-CHWSQXEVSA-N	1	1	339.396	0.485	10	5		ECBEMO
O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000111682342	589563425	/nfs/dbraw/zinc/56/34/25/589563425.db2.gz	INEBUSFCYGYVOE-MRXNPFEDSA-N	1	1	348.403	0.700	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C[C@H](C)O	ZINC000248578281	165180985	/nfs/dbraw/zinc/18/09/85/165180985.db2.gz	DYOUQKPWVDDLBM-QWRGUYRKSA-N	1	1	337.380	0.489	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C[C@H](C)O	ZINC000248578281	165180989	/nfs/dbraw/zinc/18/09/89/165180989.db2.gz	DYOUQKPWVDDLBM-QWRGUYRKSA-N	1	1	337.380	0.489	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1	ZINC000106398260	436593342	/nfs/dbraw/zinc/59/33/42/436593342.db2.gz	YTVHKBOTEUQHDP-CYBMUJFWSA-N	1	1	336.392	0.922	10	5		ECBEMO
NS(=O)(=O)c1cccc(N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000272459533	436716392	/nfs/dbraw/zinc/71/63/92/436716392.db2.gz	GYQAMHRARGIPJX-NSHDSACASA-N	1	1	340.405	0.917	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1	ZINC000246715468	436784346	/nfs/dbraw/zinc/78/43/46/436784346.db2.gz	KYRIPUQTGKAUJT-UKRRQHHQSA-N	1	1	346.391	0.981	10	5		ECBEMO
C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000176428948	437140798	/nfs/dbraw/zinc/14/07/98/437140798.db2.gz	WILOQHJKHHONJP-PWSUYJOCSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000176428948	437140803	/nfs/dbraw/zinc/14/08/03/437140803.db2.gz	WILOQHJKHHONJP-PWSUYJOCSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000105823155	545737620	/nfs/dbraw/zinc/73/76/20/545737620.db2.gz	QHSAWPVUMFWEQX-NWDGAFQWSA-N	1	1	336.392	0.581	10	5		ECBEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000174995838	529404908	/nfs/dbraw/zinc/40/49/08/529404908.db2.gz	ZICZKWBQKBSXPA-CHWSQXEVSA-N	1	1	334.376	0.842	10	5		ECBEMO
O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000111683746	220178694	/nfs/dbraw/zinc/17/86/94/220178694.db2.gz	KXEDPPZBHRZKIH-INIZCTEOSA-N	1	1	348.403	0.700	10	5		ECBEMO
C[NH2+][C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1cnn(C)c1	ZINC000262565843	165363367	/nfs/dbraw/zinc/36/33/67/165363367.db2.gz	RQUJAPCNIZHLGH-CQSZACIVSA-N	1	1	333.348	0.914	10	5		ECBEMO
NS(=O)(=O)c1cccc(N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000183763388	295289466	/nfs/dbraw/zinc/28/94/66/295289466.db2.gz	LKEJLRYMELMYRT-SNVBAGLBSA-N	1	1	326.378	0.527	10	5		ECBEMO
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2cccnn2)CC1	ZINC000090526821	436432627	/nfs/dbraw/zinc/43/26/27/436432627.db2.gz	LJZZJVTWQTZGDM-UHFFFAOYSA-N	1	1	344.375	0.759	10	5		ECBEMO
O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000246480772	436781533	/nfs/dbraw/zinc/78/15/33/436781533.db2.gz	GMXUWGOVWDVNCU-GXTWGEPZSA-N	1	1	349.391	0.459	10	5		ECBEMO
Cc1nn(C)c(C)c1C[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000176233098	437135617	/nfs/dbraw/zinc/13/56/17/437135617.db2.gz	UCUHXLMRCFJHBY-UHFFFAOYSA-N	1	1	347.423	0.959	10	5		ECBEMO
C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCO1	ZINC000276321760	437088744	/nfs/dbraw/zinc/08/87/44/437088744.db2.gz	QCYJUFSTLRHWDY-GFCCVEGCSA-N	1	1	343.405	0.765	10	5		ECBEMO
O=C(CC[N@@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F	ZINC000189298953	165007819	/nfs/dbraw/zinc/00/78/19/165007819.db2.gz	SHNIBQFDEYSXQO-MNOVXSKESA-N	1	1	327.312	0.490	10	5		ECBEMO
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1[NH+]1CCOCC1	ZINC000301972450	437136836	/nfs/dbraw/zinc/13/68/36/437136836.db2.gz	UAQHPZYCDMLPGB-NWDGAFQWSA-N	1	1	332.364	0.794	10	5		ECBEMO
CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC	ZINC000117303411	221049281	/nfs/dbraw/zinc/04/92/81/221049281.db2.gz	LOHLGNPEYVECLX-ZDUSSCGKSA-N	1	1	339.396	0.751	10	5		ECBEMO
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195319885	165079601	/nfs/dbraw/zinc/07/96/01/165079601.db2.gz	WFNDGSDPTKEGCX-AWEZNQCLSA-N	1	1	332.360	0.631	10	5		ECBEMO
CN(C)S(=O)(=O)c1ccc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1	ZINC000262538376	165360694	/nfs/dbraw/zinc/36/06/94/165360694.db2.gz	QSEMQVGFCLBERZ-UHFFFAOYSA-N	1	1	338.336	0.851	10	5		ECBEMO
C[NH2+][C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)c1cnn(C)c1	ZINC000262565840	165362876	/nfs/dbraw/zinc/36/28/76/165362876.db2.gz	RQUJAPCNIZHLGH-AWEZNQCLSA-N	1	1	333.348	0.914	10	5		ECBEMO
C[C@](O)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCOCC1	ZINC000301448335	296886650	/nfs/dbraw/zinc/88/66/50/296886650.db2.gz	WIDOZBQOQKSNNV-AWEZNQCLSA-N	1	1	340.336	0.998	10	5		ECBEMO
O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000122264577	436733401	/nfs/dbraw/zinc/73/34/01/436733401.db2.gz	GMXUWGOVWDVNCU-JSGCOSHPSA-N	1	1	349.391	0.459	10	5		ECBEMO
Cn1cc(CN2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cn1	ZINC000176233320	437134662	/nfs/dbraw/zinc/13/46/62/437134662.db2.gz	RWKWDGZNWQZJMJ-UHFFFAOYSA-N	1	1	333.396	0.733	10	5		ECBEMO
Cn1cc(C[N@@H+]2CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)cn1	ZINC000176233320	437134665	/nfs/dbraw/zinc/13/46/65/437134665.db2.gz	RWKWDGZNWQZJMJ-UHFFFAOYSA-N	1	1	333.396	0.733	10	5		ECBEMO
Cn1cc(C[N@H+]2CCCN(CCn3ccc([N+](=O)[O-])n3)CC2)cn1	ZINC000176233320	437134670	/nfs/dbraw/zinc/13/46/70/437134670.db2.gz	RWKWDGZNWQZJMJ-UHFFFAOYSA-N	1	1	333.396	0.733	10	5		ECBEMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc1	ZINC000404069676	438465798	/nfs/dbraw/zinc/46/57/98/438465798.db2.gz	OVQPWVWMXLDSOA-QWHCGFSZSA-N	1	1	327.362	0.346	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000174334807	231180856	/nfs/dbraw/zinc/18/08/56/231180856.db2.gz	PDEPZCQQAYKSKF-QWHCGFSZSA-N	1	1	336.392	0.920	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000174341188	533673583	/nfs/dbraw/zinc/67/35/83/533673583.db2.gz	GIAFDYDIAKJXTO-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000174341188	533673591	/nfs/dbraw/zinc/67/35/91/533673591.db2.gz	GIAFDYDIAKJXTO-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
CC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174782596	437087326	/nfs/dbraw/zinc/08/73/26/437087326.db2.gz	OXGVMOXOBLUBKK-ZFWWWQNUSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000174782596	437087329	/nfs/dbraw/zinc/08/73/29/437087329.db2.gz	OXGVMOXOBLUBKK-ZFWWWQNUSA-N	1	1	341.412	0.195	10	5		ECBEMO
C[N@H+]1CCO[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@H]21	ZINC000301663276	437128236	/nfs/dbraw/zinc/12/82/36/437128236.db2.gz	NHYFHXUSQHVDDS-ZIAGYGMSSA-N	1	1	331.332	0.763	10	5		ECBEMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1	ZINC000403984630	438464054	/nfs/dbraw/zinc/46/40/54/438464054.db2.gz	BUBKNXQCYLVCDL-CMPLNLGQSA-N	1	1	327.362	0.346	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000117289068	221046511	/nfs/dbraw/zinc/04/65/11/221046511.db2.gz	KWLPFAUKKJDBKZ-GFCCVEGCSA-N	1	1	325.369	0.361	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000117289068	221046514	/nfs/dbraw/zinc/04/65/14/221046514.db2.gz	KWLPFAUKKJDBKZ-GFCCVEGCSA-N	1	1	325.369	0.361	10	5		ECBEMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1	ZINC000404069679	438465857	/nfs/dbraw/zinc/46/58/57/438465857.db2.gz	OVQPWVWMXLDSOA-STQMWFEESA-N	1	1	327.362	0.346	10	5		ECBEMO
CC[N@@H+](CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000092518491	218146443	/nfs/dbraw/zinc/14/64/43/218146443.db2.gz	KHASMDMIGBPXBI-GDBMZVCRSA-N	1	1	337.376	0.590	10	5		ECBEMO
O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000172959482	609776685	/nfs/dbraw/zinc/77/66/85/609776685.db2.gz	ZADQWWBQZIJODU-CYBMUJFWSA-N	1	1	348.359	0.867	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000246780395	165142851	/nfs/dbraw/zinc/14/28/51/165142851.db2.gz	SJLUGINGFRCISW-OCCSQVGLSA-N	1	1	335.368	0.156	10	5		ECBEMO
C[N@H+]1CCO[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@@H]21	ZINC000153186393	277125221	/nfs/dbraw/zinc/12/52/21/277125221.db2.gz	VBFBPAKMIQPOKS-WDEREUQCSA-N	1	1	331.332	0.122	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1	ZINC000246715447	436783865	/nfs/dbraw/zinc/78/38/65/436783865.db2.gz	KYRIPUQTGKAUJT-DZGCQCFKSA-N	1	1	346.391	0.981	10	5		ECBEMO
CC[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC	ZINC000246747139	436786298	/nfs/dbraw/zinc/78/62/98/436786298.db2.gz	OXGVMOXOBLUBKK-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000246747139	436786299	/nfs/dbraw/zinc/78/62/99/436786299.db2.gz	OXGVMOXOBLUBKK-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000246747139	436786302	/nfs/dbraw/zinc/78/63/02/436786302.db2.gz	OXGVMOXOBLUBKK-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O	ZINC000174732887	437086776	/nfs/dbraw/zinc/08/67/76/437086776.db2.gz	UBPJKAHXFIKLHM-DGCLKSJQSA-N	1	1	336.392	0.975	10	5		ECBEMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302022177	437139988	/nfs/dbraw/zinc/13/99/88/437139988.db2.gz	FXOJTFJNEFWUDZ-HNNXBMFYSA-N	1	1	348.403	0.830	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C[C@@H](C)O	ZINC000185956744	437458042	/nfs/dbraw/zinc/45/80/42/437458042.db2.gz	DYOUQKPWVDDLBM-MNOVXSKESA-N	1	1	337.380	0.489	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C[C@@H](C)O	ZINC000185956744	437458045	/nfs/dbraw/zinc/45/80/45/437458045.db2.gz	DYOUQKPWVDDLBM-MNOVXSKESA-N	1	1	337.380	0.489	10	5		ECBEMO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000173865838	231054623	/nfs/dbraw/zinc/05/46/23/231054623.db2.gz	JAQZOMYXAWBIML-YPMHNXCESA-N	1	1	337.380	0.279	10	5		ECBEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262346705	165335251	/nfs/dbraw/zinc/33/52/51/165335251.db2.gz	UERCDZNABIEDLI-SUNKGSAMSA-N	1	1	335.364	0.380	10	5		ECBEMO
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1[NH+]1CCOCC1	ZINC000301972451	296893773	/nfs/dbraw/zinc/89/37/73/296893773.db2.gz	UAQHPZYCDMLPGB-VXGBXAGGSA-N	1	1	332.364	0.794	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000106397401	436592809	/nfs/dbraw/zinc/59/28/09/436592809.db2.gz	WXPOZFAYEGZMLH-GFCCVEGCSA-N	1	1	347.375	1.000	10	5		ECBEMO
CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000173982539	437069969	/nfs/dbraw/zinc/06/99/69/437069969.db2.gz	GXRFWFRZDANJHH-ZYHUDNBSSA-N	1	1	337.380	0.673	10	5		ECBEMO
O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)n1	ZINC000176232237	437135502	/nfs/dbraw/zinc/13/55/02/437135502.db2.gz	WBCUGMVXSSJNAO-UHFFFAOYSA-N	1	1	343.351	0.051	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1	ZINC000174765893	231304186	/nfs/dbraw/zinc/30/41/86/231304186.db2.gz	KYRIPUQTGKAUJT-ZFWWWQNUSA-N	1	1	346.391	0.981	10	5		ECBEMO
CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@H](C)O	ZINC000245574440	165109448	/nfs/dbraw/zinc/10/94/48/165109448.db2.gz	DUYSZQIQGQRZHK-KBPBESRZSA-N	1	1	338.408	0.534	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000106397574	436592831	/nfs/dbraw/zinc/59/28/31/436592831.db2.gz	YNDWJBAEZNYOQF-CYBMUJFWSA-N	1	1	325.369	0.097	10	5		ECBEMO
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+]2CCC[C@H]2C1	ZINC000248433504	436802605	/nfs/dbraw/zinc/80/26/05/436802605.db2.gz	QUFANFDXQXJBGK-NSHDSACASA-N	1	1	326.378	0.527	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000161701108	436896042	/nfs/dbraw/zinc/89/60/42/436896042.db2.gz	VGMDPTROUWVFCJ-GFCCVEGCSA-N	1	1	340.384	0.153	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000161701108	436896046	/nfs/dbraw/zinc/89/60/46/436896046.db2.gz	VGMDPTROUWVFCJ-GFCCVEGCSA-N	1	1	340.384	0.153	10	5		ECBEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000174995857	529303151	/nfs/dbraw/zinc/30/31/51/529303151.db2.gz	ZICZKWBQKBSXPA-QWHCGFSZSA-N	1	1	334.376	0.842	10	5		ECBEMO
C[NH+]1CCN(C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000040844589	213392647	/nfs/dbraw/zinc/39/26/47/213392647.db2.gz	PVDOUCSZLRTAKX-UHFFFAOYSA-N	1	1	346.343	0.355	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1	ZINC000246974459	165148457	/nfs/dbraw/zinc/14/84/57/165148457.db2.gz	XXPQQAWTPLBQHT-UKRRQHHQSA-N	1	1	333.348	0.701	10	5		ECBEMO
CC[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000194639790	263169124	/nfs/dbraw/zinc/16/91/24/263169124.db2.gz	BSEQXVWPKCPSGB-CYBMUJFWSA-N	1	1	334.376	0.925	10	5		ECBEMO
NS(=O)(=O)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000248893772	436812855	/nfs/dbraw/zinc/81/28/55/436812855.db2.gz	GOLUSEUTCYUTBL-JTQLQIEISA-N	1	1	326.378	0.527	10	5		ECBEMO
CC[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O	ZINC000246258221	436775380	/nfs/dbraw/zinc/77/53/80/436775380.db2.gz	UBPJKAHXFIKLHM-WCQYABFASA-N	1	1	336.392	0.975	10	5		ECBEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000160474258	436873580	/nfs/dbraw/zinc/87/35/80/436873580.db2.gz	YCDHXMDNIKURKR-CYBMUJFWSA-N	1	1	336.392	0.993	10	5		ECBEMO
C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301184688	437116043	/nfs/dbraw/zinc/11/60/43/437116043.db2.gz	JIWVOIFXEMDCGA-LBPRGKRZSA-N	1	1	346.391	0.651	10	5		ECBEMO
Cn1cc(CN2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC000174850317	231324261	/nfs/dbraw/zinc/32/42/61/231324261.db2.gz	HXKVLKKRXCVGIW-UHFFFAOYSA-N	1	1	333.396	0.733	10	5		ECBEMO
Cn1cc(C[N@H+]2CCCN(CCn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC000174850317	231324268	/nfs/dbraw/zinc/32/42/68/231324268.db2.gz	HXKVLKKRXCVGIW-UHFFFAOYSA-N	1	1	333.396	0.733	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000117289070	221046206	/nfs/dbraw/zinc/04/62/06/221046206.db2.gz	KWLPFAUKKJDBKZ-LBPRGKRZSA-N	1	1	325.369	0.361	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000117289070	221046208	/nfs/dbraw/zinc/04/62/08/221046208.db2.gz	KWLPFAUKKJDBKZ-LBPRGKRZSA-N	1	1	325.369	0.361	10	5		ECBEMO
NS(=O)(=O)c1cccc(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000248426636	295289312	/nfs/dbraw/zinc/28/93/12/295289312.db2.gz	LKEJLRYMELMYRT-JTQLQIEISA-N	1	1	326.378	0.527	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000246778138	165142247	/nfs/dbraw/zinc/14/22/47/165142247.db2.gz	PVEBNCCRRVFFGT-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000246778138	165142253	/nfs/dbraw/zinc/14/22/53/165142253.db2.gz	PVEBNCCRRVFFGT-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
Cn1cc(C[N@@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC000171566262	227142967	/nfs/dbraw/zinc/14/29/67/227142967.db2.gz	RWAYSXDHJVFXHX-UHFFFAOYSA-N	1	1	347.379	0.259	10	5		ECBEMO
Cn1cc(C[N@H+]2CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC000171566262	227142971	/nfs/dbraw/zinc/14/29/71/227142971.db2.gz	RWAYSXDHJVFXHX-UHFFFAOYSA-N	1	1	347.379	0.259	10	5		ECBEMO
C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCO1	ZINC000124793429	436756811	/nfs/dbraw/zinc/75/68/11/436756811.db2.gz	LWGMMWVQHCYYQC-GFCCVEGCSA-N	1	1	343.405	0.765	10	5		ECBEMO
CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248374029	436802546	/nfs/dbraw/zinc/80/25/46/436802546.db2.gz	NLEZJMJSYDFJGA-UONOGXRCSA-N	1	1	337.376	0.935	10	5		ECBEMO
NC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173991927	437071446	/nfs/dbraw/zinc/07/14/46/437071446.db2.gz	GZZLPIARBFDBSK-AWEZNQCLSA-N	1	1	334.376	0.600	10	5		ECBEMO
NC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173991927	437071448	/nfs/dbraw/zinc/07/14/48/437071448.db2.gz	GZZLPIARBFDBSK-AWEZNQCLSA-N	1	1	334.376	0.600	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C[C@@H](C)O	ZINC000185956721	437457580	/nfs/dbraw/zinc/45/75/80/437457580.db2.gz	DYOUQKPWVDDLBM-GHMZBOCLSA-N	1	1	337.380	0.489	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C[C@@H](C)O	ZINC000185956721	437457585	/nfs/dbraw/zinc/45/75/85/437457585.db2.gz	DYOUQKPWVDDLBM-GHMZBOCLSA-N	1	1	337.380	0.489	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C	ZINC000246921402	165147470	/nfs/dbraw/zinc/14/74/70/165147470.db2.gz	YTTSAVGRWOVEIG-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C	ZINC000246921402	165147471	/nfs/dbraw/zinc/14/74/71/165147471.db2.gz	YTTSAVGRWOVEIG-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000090549362	436432428	/nfs/dbraw/zinc/43/24/28/436432428.db2.gz	NQEPEOVHDCQYJP-CYBMUJFWSA-N	1	1	332.364	0.760	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1	ZINC000106398298	436593462	/nfs/dbraw/zinc/59/34/62/436593462.db2.gz	VDROHUMAPZEDDW-CYBMUJFWSA-N	1	1	339.396	0.405	10	5		ECBEMO
C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)C1	ZINC000301246586	437117699	/nfs/dbraw/zinc/11/76/99/437117699.db2.gz	AUXBNEGXBHGBPJ-AWEZNQCLSA-N	1	1	347.419	0.910	10	5		ECBEMO
O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000111682340	589563530	/nfs/dbraw/zinc/56/35/30/589563530.db2.gz	INEBUSFCYGYVOE-INIZCTEOSA-N	1	1	348.403	0.700	10	5		ECBEMO
C[NH+](C)C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1	ZINC000129188156	223030469	/nfs/dbraw/zinc/03/04/69/223030469.db2.gz	NCGMBCADJNHVDS-VIFPVBQESA-N	1	1	349.434	0.827	10	5		ECBEMO
O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000246480805	436781794	/nfs/dbraw/zinc/78/17/94/436781794.db2.gz	GMXUWGOVWDVNCU-TZMCWYRMSA-N	1	1	349.391	0.459	10	5		ECBEMO
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2CCC[C@@H]2C1	ZINC000171939057	436994833	/nfs/dbraw/zinc/99/48/33/436994833.db2.gz	HAODWQXPSJCYFX-LLVKDONJSA-N	1	1	326.378	0.527	10	5		ECBEMO
CNC(=O)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000182425428	437347682	/nfs/dbraw/zinc/34/76/82/437347682.db2.gz	XVXLWBWRGGHFCM-CYBMUJFWSA-N	1	1	343.405	0.729	10	5		ECBEMO
O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000111683749	220178008	/nfs/dbraw/zinc/17/80/08/220178008.db2.gz	KXEDPPZBHRZKIH-MRXNPFEDSA-N	1	1	348.403	0.700	10	5		ECBEMO
C[N@H+]1CCO[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C[C@@H]21	ZINC000153153119	277131491	/nfs/dbraw/zinc/13/14/91/277131491.db2.gz	NHYFHXUSQHVDDS-KBPBESRZSA-N	1	1	331.332	0.351	10	5		ECBEMO
C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000177281650	437175691	/nfs/dbraw/zinc/17/56/91/437175691.db2.gz	BJNGYZMGQQDJQI-WBMJQRKESA-N	1	1	348.403	0.846	10	5		ECBEMO
CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O	ZINC000174616161	529269345	/nfs/dbraw/zinc/26/93/45/529269345.db2.gz	ZTZYDOKSVDTLNN-OLZOCXBDSA-N	1	1	339.396	0.485	10	5		ECBEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000247081007	165153631	/nfs/dbraw/zinc/15/36/31/165153631.db2.gz	ZICZKWBQKBSXPA-STQMWFEESA-N	1	1	334.376	0.842	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C	ZINC000247218256	165156395	/nfs/dbraw/zinc/15/63/95/165156395.db2.gz	QHSAWPVUMFWEQX-NEPJUHHUSA-N	1	1	336.392	0.581	10	5		ECBEMO
CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248374030	436802600	/nfs/dbraw/zinc/80/26/00/436802600.db2.gz	NLEZJMJSYDFJGA-ZIAGYGMSSA-N	1	1	337.376	0.935	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1CCOC	ZINC000184671975	437408202	/nfs/dbraw/zinc/40/82/02/437408202.db2.gz	NETUQVRJUSROQE-NSHDSACASA-N	1	1	337.380	0.755	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1CCOC	ZINC000184671975	437408208	/nfs/dbraw/zinc/40/82/08/437408208.db2.gz	NETUQVRJUSROQE-NSHDSACASA-N	1	1	337.380	0.755	10	5		ECBEMO
O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000178593181	275017277	/nfs/dbraw/zinc/01/72/77/275017277.db2.gz	WKVFTTUWFLHGGM-CQSZACIVSA-N	1	1	348.403	0.700	10	5		ECBEMO
CCCc1[nH]nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000116978091	436656435	/nfs/dbraw/zinc/65/64/35/436656435.db2.gz	IWHUUARVIBZQRK-JTQLQIEISA-N	1	1	325.369	0.673	10	5		ECBEMO
CC(C)[N@@H+](C)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000130111411	528813946	/nfs/dbraw/zinc/81/39/46/528813946.db2.gz	YANFZVIMKVZVCS-UKRRQHHQSA-N	1	1	325.365	0.446	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000105822010	204163799	/nfs/dbraw/zinc/16/37/99/204163799.db2.gz	LJLNQARRTWNWAQ-QWHCGFSZSA-N	1	1	336.392	0.920	10	5		ECBEMO
COCC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C	ZINC000105833128	204168303	/nfs/dbraw/zinc/16/83/03/204168303.db2.gz	XDNUCTGOGLQWOA-GFCCVEGCSA-N	1	1	336.392	0.846	10	5		ECBEMO
O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F	ZINC000189298929	165008446	/nfs/dbraw/zinc/00/84/46/165008446.db2.gz	SHNIBQFDEYSXQO-GHMZBOCLSA-N	1	1	327.312	0.490	10	5		ECBEMO
Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030856	165150085	/nfs/dbraw/zinc/15/00/85/165150085.db2.gz	MIJJJLQQCFOTKG-DZGCQCFKSA-N	1	1	334.380	0.822	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C	ZINC000174292646	207007763	/nfs/dbraw/zinc/00/77/63/207007763.db2.gz	YTTSAVGRWOVEIG-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C	ZINC000174292646	207007767	/nfs/dbraw/zinc/00/77/67/207007767.db2.gz	YTTSAVGRWOVEIG-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000122264382	436732912	/nfs/dbraw/zinc/73/29/12/436732912.db2.gz	GMXUWGOVWDVNCU-OCCSQVGLSA-N	1	1	349.391	0.459	10	5		ECBEMO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173865805	437066034	/nfs/dbraw/zinc/06/60/34/437066034.db2.gz	JAQZOMYXAWBIML-DGCLKSJQSA-N	1	1	337.380	0.279	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000191818169	437658255	/nfs/dbraw/zinc/65/82/55/437658255.db2.gz	CZFKHTFLSREGSG-GFCCVEGCSA-N	1	1	339.396	0.994	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1CCOC	ZINC000191818169	437658259	/nfs/dbraw/zinc/65/82/59/437658259.db2.gz	CZFKHTFLSREGSG-GFCCVEGCSA-N	1	1	339.396	0.994	10	5		ECBEMO
NC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173991941	283376520	/nfs/dbraw/zinc/37/65/20/283376520.db2.gz	GZZLPIARBFDBSK-CQSZACIVSA-N	1	1	334.376	0.600	10	5		ECBEMO
NC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000173991941	283376521	/nfs/dbraw/zinc/37/65/21/283376521.db2.gz	GZZLPIARBFDBSK-CQSZACIVSA-N	1	1	334.376	0.600	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C[C@H](C)O	ZINC000248578282	165181508	/nfs/dbraw/zinc/18/15/08/165181508.db2.gz	DYOUQKPWVDDLBM-WDEREUQCSA-N	1	1	337.380	0.489	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1C[C@H](C)O	ZINC000248578282	165181510	/nfs/dbraw/zinc/18/15/10/165181510.db2.gz	DYOUQKPWVDDLBM-WDEREUQCSA-N	1	1	337.380	0.489	10	5		ECBEMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1	ZINC000404069672	438466580	/nfs/dbraw/zinc/46/65/80/438466580.db2.gz	OVQPWVWMXLDSOA-CHWSQXEVSA-N	1	1	327.362	0.346	10	5		ECBEMO
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)C[NH3+]	ZINC000190222034	238312400	/nfs/dbraw/zinc/31/24/00/238312400.db2.gz	VVZPATUDPQGNHH-QMMMGPOBSA-N	1	1	330.291	0.423	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000105822006	436579344	/nfs/dbraw/zinc/57/93/44/436579344.db2.gz	LJLNQARRTWNWAQ-CHWSQXEVSA-N	1	1	336.392	0.920	10	5		ECBEMO
CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1CCOC	ZINC000117309593	436657325	/nfs/dbraw/zinc/65/73/25/436657325.db2.gz	XDTLMMVQNYIYSH-CYBMUJFWSA-N	1	1	339.396	0.669	10	5		ECBEMO
Cc1cc(C)n(-c2ncnc(N3CC[NH+](CCO)CC3)c2[N+](=O)[O-])n1	ZINC000040613556	132405072	/nfs/dbraw/zinc/40/50/72/132405072.db2.gz	XGIBVCUEIAXRSS-UHFFFAOYSA-N	1	1	347.379	0.302	10	5		ECBEMO
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C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C	ZINC000105823153	204163757	/nfs/dbraw/zinc/16/37/57/204163757.db2.gz	QHSAWPVUMFWEQX-VXGBXAGGSA-N	1	1	336.392	0.581	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000246780407	165142380	/nfs/dbraw/zinc/14/23/80/165142380.db2.gz	SJLUGINGFRCISW-TZMCWYRMSA-N	1	1	335.368	0.156	10	5		ECBEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000247080997	165153544	/nfs/dbraw/zinc/15/35/44/165153544.db2.gz	ZICZKWBQKBSXPA-OLZOCXBDSA-N	1	1	334.376	0.842	10	5		ECBEMO
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CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000247338066	436793018	/nfs/dbraw/zinc/79/30/18/436793018.db2.gz	FXNKYGJVDIOULD-TZMCWYRMSA-N	1	1	339.396	0.533	10	5		ECBEMO
C[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246276189	165128384	/nfs/dbraw/zinc/12/83/84/165128384.db2.gz	WILOQHJKHHONJP-ZYHUDNBSSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246276189	165128387	/nfs/dbraw/zinc/12/83/87/165128387.db2.gz	WILOQHJKHHONJP-ZYHUDNBSSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C	ZINC000246765962	165143269	/nfs/dbraw/zinc/14/32/69/165143269.db2.gz	PDEPZCQQAYKSKF-OLZOCXBDSA-N	1	1	336.392	0.920	10	5		ECBEMO
O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000178593170	275017152	/nfs/dbraw/zinc/01/71/52/275017152.db2.gz	WKVFTTUWFLHGGM-AWEZNQCLSA-N	1	1	348.403	0.700	10	5		ECBEMO
CC[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC	ZINC000246747158	436786269	/nfs/dbraw/zinc/78/62/69/436786269.db2.gz	OXGVMOXOBLUBKK-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000246747158	436786272	/nfs/dbraw/zinc/78/62/72/436786272.db2.gz	OXGVMOXOBLUBKK-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCOC	ZINC000246747158	436786275	/nfs/dbraw/zinc/78/62/75/436786275.db2.gz	OXGVMOXOBLUBKK-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+]2CCC[C@@H]2C1	ZINC000181574992	437324507	/nfs/dbraw/zinc/32/45/07/437324507.db2.gz	QUFANFDXQXJBGK-LLVKDONJSA-N	1	1	326.378	0.527	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1CCOC	ZINC000191818186	437657143	/nfs/dbraw/zinc/65/71/43/437657143.db2.gz	CZFKHTFLSREGSG-LBPRGKRZSA-N	1	1	339.396	0.994	10	5		ECBEMO
CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1CCOC	ZINC000191818186	437657149	/nfs/dbraw/zinc/65/71/49/437657149.db2.gz	CZFKHTFLSREGSG-LBPRGKRZSA-N	1	1	339.396	0.994	10	5		ECBEMO
Cn1c2ccccc2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1=O	ZINC000894178151	586378033	/nfs/dbraw/zinc/37/80/33/586378033.db2.gz	GSUVYJAJOXXQNT-UONOGXRCSA-N	1	1	344.371	0.966	10	5		ECBEMO
Cn1c2ccccc2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1=O	ZINC000894178151	586378036	/nfs/dbraw/zinc/37/80/36/586378036.db2.gz	GSUVYJAJOXXQNT-UONOGXRCSA-N	1	1	344.371	0.966	10	5		ECBEMO
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCOC	ZINC000131819258	529394798	/nfs/dbraw/zinc/39/47/98/529394798.db2.gz	AASXILVZBGANJD-CQSZACIVSA-N	1	1	338.408	0.799	10	5		ECBEMO
C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1	ZINC000173969586	231086209	/nfs/dbraw/zinc/08/62/09/231086209.db2.gz	YRQLTJRREJVQOI-GXTWGEPZSA-N	1	1	337.380	0.361	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000247148045	165155664	/nfs/dbraw/zinc/15/56/64/165155664.db2.gz	LJLNQARRTWNWAQ-STQMWFEESA-N	1	1	336.392	0.920	10	5		ECBEMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000248778179	436810582	/nfs/dbraw/zinc/81/05/82/436810582.db2.gz	ULCSJFWTDNHTHD-NSHDSACASA-N	1	1	340.405	0.787	10	5		ECBEMO
C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246276175	165128455	/nfs/dbraw/zinc/12/84/55/165128455.db2.gz	WILOQHJKHHONJP-CMPLNLGQSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000246276175	165128456	/nfs/dbraw/zinc/12/84/56/165128456.db2.gz	WILOQHJKHHONJP-CMPLNLGQSA-N	1	1	328.369	0.814	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1	ZINC000152262930	436724768	/nfs/dbraw/zinc/72/47/68/436724768.db2.gz	XXPQQAWTPLBQHT-ZFWWWQNUSA-N	1	1	333.348	0.701	10	5		ECBEMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1	ZINC000302022178	437137874	/nfs/dbraw/zinc/13/78/74/437137874.db2.gz	FXOJTFJNEFWUDZ-OAHLLOKOSA-N	1	1	348.403	0.830	10	5		ECBEMO
C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1	ZINC000173969552	534303825	/nfs/dbraw/zinc/30/38/25/534303825.db2.gz	YRQLTJRREJVQOI-OCCSQVGLSA-N	1	1	337.380	0.361	10	5		ECBEMO
C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+]1CCOCC1	ZINC000173969566	231085868	/nfs/dbraw/zinc/08/58/68/231085868.db2.gz	YRQLTJRREJVQOI-JSGCOSHPSA-N	1	1	337.380	0.361	10	5		ECBEMO
CCCc1[nH]nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000116978089	221018941	/nfs/dbraw/zinc/01/89/41/221018941.db2.gz	IWHUUARVIBZQRK-SNVBAGLBSA-N	1	1	325.369	0.673	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C	ZINC000246921351	165147612	/nfs/dbraw/zinc/14/76/12/165147612.db2.gz	YTTSAVGRWOVEIG-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C	ZINC000246921351	165147613	/nfs/dbraw/zinc/14/76/13/165147613.db2.gz	YTTSAVGRWOVEIG-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000075682210	436171977	/nfs/dbraw/zinc/17/19/77/436171977.db2.gz	FXNKYGJVDIOULD-OCCSQVGLSA-N	1	1	339.396	0.533	10	5		ECBEMO
CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000028659502	436192423	/nfs/dbraw/zinc/19/24/23/436192423.db2.gz	ABVCROSHFKNFAQ-UKRRQHHQSA-N	1	1	337.376	0.887	10	5		ECBEMO
CCCc1n[nH]c(C(=O)N2CCN(C[C@H](O)CC)CC2)c1[N+](=O)[O-]	ZINC000109688800	436625658	/nfs/dbraw/zinc/62/56/58/436625658.db2.gz	IACIDYGSHFGWAO-LLVKDONJSA-N	1	1	339.396	0.799	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000106397018	436593240	/nfs/dbraw/zinc/59/32/40/436593240.db2.gz	CXOLQMLYVMJMNY-CYBMUJFWSA-N	1	1	337.376	0.889	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106396297	436593316	/nfs/dbraw/zinc/59/33/16/436593316.db2.gz	KTRSBNBHHIHLPL-CQSZACIVSA-N	1	1	337.376	0.889	10	5		ECBEMO
CCc1[nH]nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000173982531	437071356	/nfs/dbraw/zinc/07/13/56/437071356.db2.gz	GXRFWFRZDANJHH-CMPLNLGQSA-N	1	1	337.380	0.673	10	5		ECBEMO
C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)C1	ZINC000301246588	437117925	/nfs/dbraw/zinc/11/79/25/437117925.db2.gz	AUXBNEGXBHGBPJ-CQSZACIVSA-N	1	1	347.419	0.910	10	5		ECBEMO
O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[C@H]([NH+]2CCOCC2)C1	ZINC000172959476	609776774	/nfs/dbraw/zinc/77/67/74/609776774.db2.gz	ZADQWWBQZIJODU-ZDUSSCGKSA-N	1	1	348.359	0.867	10	5		ECBEMO
C[N@H+]1CCO[C@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@@H]21	ZINC000153186261	277132105	/nfs/dbraw/zinc/13/21/05/277132105.db2.gz	VBFBPAKMIQPOKS-QWRGUYRKSA-N	1	1	331.332	0.122	10	5		ECBEMO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173865790	231055054	/nfs/dbraw/zinc/05/50/54/231055054.db2.gz	JAQZOMYXAWBIML-WCQYABFASA-N	1	1	337.380	0.279	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000174788068	231311789	/nfs/dbraw/zinc/31/17/89/231311789.db2.gz	SJLUGINGFRCISW-GXTWGEPZSA-N	1	1	335.368	0.156	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C	ZINC000117283633	221043483	/nfs/dbraw/zinc/04/34/83/221043483.db2.gz	LTCZZPPWEYWHSG-LBPRGKRZSA-N	1	1	339.396	0.669	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C	ZINC000117283633	221043486	/nfs/dbraw/zinc/04/34/86/221043486.db2.gz	LTCZZPPWEYWHSG-LBPRGKRZSA-N	1	1	339.396	0.669	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1CC	ZINC000123193613	222232381	/nfs/dbraw/zinc/23/23/81/222232381.db2.gz	ABEBPQJDXFBJTA-GFCCVEGCSA-N	1	1	339.396	0.901	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1CC	ZINC000123193613	222232383	/nfs/dbraw/zinc/23/23/83/222232383.db2.gz	ABEBPQJDXFBJTA-GFCCVEGCSA-N	1	1	339.396	0.901	10	5		ECBEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000106395972	436593009	/nfs/dbraw/zinc/59/30/09/436593009.db2.gz	LTYQCRJIJUEYOV-CQSZACIVSA-N	1	1	337.376	0.889	10	5		ECBEMO
CCc1[nH]nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000173982564	437071592	/nfs/dbraw/zinc/07/15/92/437071592.db2.gz	GXRFWFRZDANJHH-PWSUYJOCSA-N	1	1	337.380	0.673	10	5		ECBEMO
CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CCOC	ZINC000131819453	529294998	/nfs/dbraw/zinc/29/49/98/529294998.db2.gz	AASXILVZBGANJD-AWEZNQCLSA-N	1	1	338.408	0.799	10	5		ECBEMO
CCOCC[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835892	436786133	/nfs/dbraw/zinc/78/61/33/436786133.db2.gz	YLCRPIPAYIHMBT-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835892	436786136	/nfs/dbraw/zinc/78/61/36/436786136.db2.gz	YLCRPIPAYIHMBT-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835892	436786139	/nfs/dbraw/zinc/78/61/39/436786139.db2.gz	YLCRPIPAYIHMBT-UKRRQHHQSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCC[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835872	436786448	/nfs/dbraw/zinc/78/64/48/436786448.db2.gz	YLCRPIPAYIHMBT-HIFRSBDPSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835872	436786449	/nfs/dbraw/zinc/78/64/49/436786449.db2.gz	YLCRPIPAYIHMBT-HIFRSBDPSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000246835872	436786451	/nfs/dbraw/zinc/78/64/51/436786451.db2.gz	YLCRPIPAYIHMBT-HIFRSBDPSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1C[C@@H](C)O	ZINC000131813921	529394505	/nfs/dbraw/zinc/39/45/05/529394505.db2.gz	DUYSZQIQGQRZHK-ZIAGYGMSSA-N	1	1	338.408	0.534	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1	ZINC000174765903	231304138	/nfs/dbraw/zinc/30/41/38/231304138.db2.gz	KYRIPUQTGKAUJT-HIFRSBDPSA-N	1	1	346.391	0.981	10	5		ECBEMO
CNS(=O)(=O)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000024659576	436136305	/nfs/dbraw/zinc/13/63/05/436136305.db2.gz	ULCSJFWTDNHTHD-LLVKDONJSA-N	1	1	340.405	0.787	10	5		ECBEMO
Cc1cc(C(=O)NCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000183431559	235073226	/nfs/dbraw/zinc/07/32/26/235073226.db2.gz	WWQKQNGUMPRJEM-CQSZACIVSA-N	1	1	346.387	0.940	10	5		ECBEMO
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)(F)C[NH3+]	ZINC000190222046	533299113	/nfs/dbraw/zinc/29/91/13/533299113.db2.gz	VVZPATUDPQGNHH-MRVPVSSYSA-N	1	1	330.291	0.423	10	5		ECBEMO
C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000177281666	231847495	/nfs/dbraw/zinc/84/74/95/231847495.db2.gz	BJNGYZMGQQDJQI-LRDDRELGSA-N	1	1	348.403	0.846	10	5		ECBEMO
CC[N@@H+](CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000092518490	218146469	/nfs/dbraw/zinc/14/64/69/218146469.db2.gz	KHASMDMIGBPXBI-GOEBONIOSA-N	1	1	337.376	0.590	10	5		ECBEMO
C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1[NH+]1CCOCC1	ZINC000160414771	274364939	/nfs/dbraw/zinc/36/49/39/274364939.db2.gz	UAQHPZYCDMLPGB-NEPJUHHUSA-N	1	1	332.364	0.794	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106396296	436593358	/nfs/dbraw/zinc/59/33/58/436593358.db2.gz	KTRSBNBHHIHLPL-AWEZNQCLSA-N	1	1	337.376	0.889	10	5		ECBEMO
CCOCC[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C	ZINC000245606925	436766588	/nfs/dbraw/zinc/76/65/88/436766588.db2.gz	ZAIQHJQTZLAGTM-CQSZACIVSA-N	1	1	338.408	0.799	10	5		ECBEMO
CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O	ZINC000247072192	436788675	/nfs/dbraw/zinc/78/86/75/436788675.db2.gz	ZTZYDOKSVDTLNN-STQMWFEESA-N	1	1	339.396	0.485	10	5		ECBEMO
C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCO1	ZINC000276321763	437088782	/nfs/dbraw/zinc/08/87/82/437088782.db2.gz	QCYJUFSTLRHWDY-LBPRGKRZSA-N	1	1	343.405	0.765	10	5		ECBEMO
CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O	ZINC000174732902	437087894	/nfs/dbraw/zinc/08/78/94/437087894.db2.gz	UBPJKAHXFIKLHM-YPMHNXCESA-N	1	1	336.392	0.975	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000117278470	221042003	/nfs/dbraw/zinc/04/20/03/221042003.db2.gz	LNYOWSRRBLNAES-CYBMUJFWSA-N	1	1	339.396	0.751	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C	ZINC000117278470	221042007	/nfs/dbraw/zinc/04/20/07/221042007.db2.gz	LNYOWSRRBLNAES-CYBMUJFWSA-N	1	1	339.396	0.751	10	5		ECBEMO
C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1	ZINC000154809677	436785591	/nfs/dbraw/zinc/78/55/91/436785591.db2.gz	VDNBAKASCRWBTK-WDEREUQCSA-N	1	1	333.348	0.734	10	5		ECBEMO
C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1	ZINC000154809677	436785593	/nfs/dbraw/zinc/78/55/93/436785593.db2.gz	VDNBAKASCRWBTK-WDEREUQCSA-N	1	1	333.348	0.734	10	5		ECBEMO
CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC	ZINC000117303407	221049044	/nfs/dbraw/zinc/04/90/44/221049044.db2.gz	LOHLGNPEYVECLX-CYBMUJFWSA-N	1	1	339.396	0.751	10	5		ECBEMO
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000090549361	436432096	/nfs/dbraw/zinc/43/20/96/436432096.db2.gz	NQEPEOVHDCQYJP-ZDUSSCGKSA-N	1	1	332.364	0.760	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C	ZINC000117292502	221045014	/nfs/dbraw/zinc/04/50/14/221045014.db2.gz	YJWKGISYTAHSLR-LBPRGKRZSA-N	1	1	339.396	0.669	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C[C@@H]1C	ZINC000117292502	221045017	/nfs/dbraw/zinc/04/50/17/221045017.db2.gz	YJWKGISYTAHSLR-LBPRGKRZSA-N	1	1	339.396	0.669	10	5		ECBEMO
Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247030881	165150891	/nfs/dbraw/zinc/15/08/91/165150891.db2.gz	MIJJJLQQCFOTKG-UKRRQHHQSA-N	1	1	334.380	0.822	10	5		ECBEMO
CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000248463203	165178833	/nfs/dbraw/zinc/17/88/33/165178833.db2.gz	QLGXGRXTKNLHRX-TZMCWYRMSA-N	1	1	337.376	0.887	10	5		ECBEMO
CCOCC[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246835853	436786381	/nfs/dbraw/zinc/78/63/81/436786381.db2.gz	YLCRPIPAYIHMBT-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246835853	436786383	/nfs/dbraw/zinc/78/63/83/436786383.db2.gz	YLCRPIPAYIHMBT-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CCOCCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000246835853	436786385	/nfs/dbraw/zinc/78/63/85/436786385.db2.gz	YLCRPIPAYIHMBT-DZGCQCFKSA-N	1	1	341.412	0.195	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1CCOC	ZINC000184671959	437409166	/nfs/dbraw/zinc/40/91/66/437409166.db2.gz	NETUQVRJUSROQE-LLVKDONJSA-N	1	1	337.380	0.755	10	5		ECBEMO
CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1CCOC	ZINC000184671959	437409169	/nfs/dbraw/zinc/40/91/69/437409169.db2.gz	NETUQVRJUSROQE-LLVKDONJSA-N	1	1	337.380	0.755	10	5		ECBEMO
Cc1cc(C(=O)NCC(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-]	ZINC000183431586	235073143	/nfs/dbraw/zinc/07/31/43/235073143.db2.gz	WWQKQNGUMPRJEM-AWEZNQCLSA-N	1	1	346.387	0.940	10	5		ECBEMO
C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCO1	ZINC000116793521	436652358	/nfs/dbraw/zinc/65/23/58/436652358.db2.gz	OOBYGBDAPHOZMI-LLVKDONJSA-N	1	1	333.348	0.874	10	5		ECBEMO
NS(=O)(=O)c1cccc(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000272459530	436716093	/nfs/dbraw/zinc/71/60/93/436716093.db2.gz	GYQAMHRARGIPJX-LLVKDONJSA-N	1	1	340.405	0.917	10	5		ECBEMO
CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O	ZINC000247072175	436788384	/nfs/dbraw/zinc/78/83/84/436788384.db2.gz	ZTZYDOKSVDTLNN-QWHCGFSZSA-N	1	1	339.396	0.485	10	5		ECBEMO
C[C@@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])C[NH+]1CCOCC1	ZINC000302070395	437137987	/nfs/dbraw/zinc/13/79/87/437137987.db2.gz	VPGYZSPCFUMSAK-OAHLLOKOSA-N	1	1	325.365	0.582	10	5		ECBEMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	ZINC000403984636	438463615	/nfs/dbraw/zinc/46/36/15/438463615.db2.gz	BUBKNXQCYLVCDL-PWSUYJOCSA-N	1	1	327.362	0.346	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000246765975	165142092	/nfs/dbraw/zinc/14/20/92/165142092.db2.gz	PDEPZCQQAYKSKF-STQMWFEESA-N	1	1	336.392	0.920	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1CC	ZINC000123193804	222232334	/nfs/dbraw/zinc/23/23/34/222232334.db2.gz	ABEBPQJDXFBJTA-LBPRGKRZSA-N	1	1	339.396	0.901	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1CC	ZINC000123193804	222232335	/nfs/dbraw/zinc/23/23/35/222232335.db2.gz	ABEBPQJDXFBJTA-LBPRGKRZSA-N	1	1	339.396	0.901	10	5		ECBEMO
C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1N1CCOCC1	ZINC000245592311	436765582	/nfs/dbraw/zinc/76/55/82/436765582.db2.gz	PZHKJZIEORFKAU-UKRRQHHQSA-N	1	1	336.392	0.409	10	5		ECBEMO
CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1C	ZINC000247223984	436790586	/nfs/dbraw/zinc/79/05/86/436790586.db2.gz	QSUDTSJLNDAWAY-LLVKDONJSA-N	1	1	337.380	0.636	10	5		ECBEMO
CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H]1C	ZINC000247223984	436790588	/nfs/dbraw/zinc/79/05/88/436790588.db2.gz	QSUDTSJLNDAWAY-LLVKDONJSA-N	1	1	337.380	0.636	10	5		ECBEMO
CCOCC[N@@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1CC	ZINC000160428044	436873917	/nfs/dbraw/zinc/87/39/17/436873917.db2.gz	HIBRGYYFHJLQSQ-LLVKDONJSA-N	1	1	325.369	0.891	10	5		ECBEMO
CCOCC[N@H+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1CC	ZINC000160428044	436873919	/nfs/dbraw/zinc/87/39/19/436873919.db2.gz	HIBRGYYFHJLQSQ-LLVKDONJSA-N	1	1	325.369	0.891	10	5		ECBEMO
C[N@H+]1CCO[C@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@H]21	ZINC000301680763	437129311	/nfs/dbraw/zinc/12/93/11/437129311.db2.gz	VBFBPAKMIQPOKS-MNOVXSKESA-N	1	1	331.332	0.122	10	5		ECBEMO
C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000176428931	437140746	/nfs/dbraw/zinc/14/07/46/437140746.db2.gz	WILOQHJKHHONJP-JQWIXIFHSA-N	1	1	328.369	0.814	10	5		ECBEMO
C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000176428931	437140751	/nfs/dbraw/zinc/14/07/51/437140751.db2.gz	WILOQHJKHHONJP-JQWIXIFHSA-N	1	1	328.369	0.814	10	5		ECBEMO
COCC[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000105833132	219552279	/nfs/dbraw/zinc/55/22/79/219552279.db2.gz	XDNUCTGOGLQWOA-LBPRGKRZSA-N	1	1	336.392	0.846	10	5		ECBEMO
CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1CCOC	ZINC000117309596	221051402	/nfs/dbraw/zinc/05/14/02/221051402.db2.gz	XDTLMMVQNYIYSH-ZDUSSCGKSA-N	1	1	339.396	0.669	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000106397572	436593540	/nfs/dbraw/zinc/59/35/40/436593540.db2.gz	YNDWJBAEZNYOQF-ZDUSSCGKSA-N	1	1	325.369	0.097	10	5		ECBEMO
CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000182214126	437342720	/nfs/dbraw/zinc/34/27/20/437342720.db2.gz	NLEZJMJSYDFJGA-KGLIPLIRSA-N	1	1	337.376	0.935	10	5		ECBEMO
C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+]1CCOCC1	ZINC000173969573	534303795	/nfs/dbraw/zinc/30/37/95/534303795.db2.gz	YRQLTJRREJVQOI-TZMCWYRMSA-N	1	1	337.380	0.361	10	5		ECBEMO
Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000173865824	231054990	/nfs/dbraw/zinc/05/49/90/231054990.db2.gz	JAQZOMYXAWBIML-AAEUAGOBSA-N	1	1	337.380	0.279	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000246778119	165141886	/nfs/dbraw/zinc/14/18/86/165141886.db2.gz	PVEBNCCRRVFFGT-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000246778119	165141890	/nfs/dbraw/zinc/14/18/90/165141890.db2.gz	PVEBNCCRRVFFGT-OLZOCXBDSA-N	1	1	337.376	0.887	10	5		ECBEMO
CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1CCOC	ZINC000105791393	436577921	/nfs/dbraw/zinc/57/79/21/436577921.db2.gz	WXJAKUUSEVHWTQ-LLVKDONJSA-N	1	1	337.380	0.636	10	5		ECBEMO
CCCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000247338057	436793905	/nfs/dbraw/zinc/79/39/05/436793905.db2.gz	FXNKYGJVDIOULD-GXTWGEPZSA-N	1	1	339.396	0.533	10	5		ECBEMO
CCc1[nH]nc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000173982551	437070696	/nfs/dbraw/zinc/07/06/96/437070696.db2.gz	GXRFWFRZDANJHH-JQWIXIFHSA-N	1	1	337.380	0.673	10	5		ECBEMO
C[N@H+]1CCO[C@@H]2CN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C[C@H]21	ZINC000301680762	437128696	/nfs/dbraw/zinc/12/86/96/437128696.db2.gz	VBFBPAKMIQPOKS-GHMZBOCLSA-N	1	1	331.332	0.122	10	5		ECBEMO
O=C1CN(O)C=C2[NH+]=c3ccccc3=C2N1c1ccc([N+](=O)[O-])cc1	ZINC000006864662	436005587	/nfs/dbraw/zinc/00/55/87/436005587.db2.gz	QVJOPFYLSWJWEW-UHFFFAOYSA-N	1	1	336.307	0.916	10	5		ECBEMO
CCCc1n[nH]c(C(=O)N2CCN(C[C@@H](O)CC)CC2)c1[N+](=O)[O-]	ZINC000109688804	436625944	/nfs/dbraw/zinc/62/59/44/436625944.db2.gz	IACIDYGSHFGWAO-NSHDSACASA-N	1	1	339.396	0.799	10	5		ECBEMO
C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCO1	ZINC000124793683	436756175	/nfs/dbraw/zinc/75/61/75/436756175.db2.gz	LWGMMWVQHCYYQC-LBPRGKRZSA-N	1	1	343.405	0.765	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000174788077	231311179	/nfs/dbraw/zinc/31/11/79/231311179.db2.gz	SJLUGINGFRCISW-JSGCOSHPSA-N	1	1	335.368	0.156	10	5		ECBEMO
C[NH+](C)C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1	ZINC000129187930	223030526	/nfs/dbraw/zinc/03/05/26/223030526.db2.gz	NCGMBCADJNHVDS-SECBINFHSA-N	1	1	349.434	0.827	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000174343633	533674214	/nfs/dbraw/zinc/67/42/14/533674214.db2.gz	PVEBNCCRRVFFGT-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C	ZINC000174343633	533674223	/nfs/dbraw/zinc/67/42/23/533674223.db2.gz	PVEBNCCRRVFFGT-CHWSQXEVSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000246295633	165128543	/nfs/dbraw/zinc/12/85/43/165128543.db2.gz	BJNGYZMGQQDJQI-BLLLJJGKSA-N	1	1	348.403	0.846	10	5		ECBEMO
CC[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1	ZINC000194639770	263169207	/nfs/dbraw/zinc/16/92/07/263169207.db2.gz	BSEQXVWPKCPSGB-ZDUSSCGKSA-N	1	1	334.376	0.925	10	5		ECBEMO
C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1	ZINC000154809756	436786184	/nfs/dbraw/zinc/78/61/84/436786184.db2.gz	VDNBAKASCRWBTK-GHMZBOCLSA-N	1	1	333.348	0.734	10	5		ECBEMO
C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1	ZINC000154809756	436786188	/nfs/dbraw/zinc/78/61/88/436786188.db2.gz	VDNBAKASCRWBTK-GHMZBOCLSA-N	1	1	333.348	0.734	10	5		ECBEMO
COCC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000161701243	436896960	/nfs/dbraw/zinc/89/69/60/436896960.db2.gz	VGMDPTROUWVFCJ-LBPRGKRZSA-N	1	1	340.384	0.153	10	5		ECBEMO
COCC[N@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C	ZINC000161701243	436896963	/nfs/dbraw/zinc/89/69/63/436896963.db2.gz	VGMDPTROUWVFCJ-LBPRGKRZSA-N	1	1	340.384	0.153	10	5		ECBEMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1	ZINC000246974438	165148545	/nfs/dbraw/zinc/14/85/45/165148545.db2.gz	XXPQQAWTPLBQHT-HIFRSBDPSA-N	1	1	333.348	0.701	10	5		ECBEMO
CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000075682217	436173997	/nfs/dbraw/zinc/17/39/97/436173997.db2.gz	FXNKYGJVDIOULD-JSGCOSHPSA-N	1	1	339.396	0.533	10	5		ECBEMO
C[NH+]1CCN(N=c2nc[nH]c(NCc3cccnc3)c2[N+](=O)[O-])CC1	ZINC000040585419	213355200	/nfs/dbraw/zinc/35/52/00/213355200.db2.gz	CLOGPPMCJOFQQO-UHFFFAOYSA-N	1	1	344.379	0.966	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000106397016	219637193	/nfs/dbraw/zinc/63/71/93/219637193.db2.gz	CXOLQMLYVMJMNY-ZDUSSCGKSA-N	1	1	337.376	0.889	10	5		ECBEMO
C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000262346703	165334450	/nfs/dbraw/zinc/33/44/50/165334450.db2.gz	UERCDZNABIEDLI-GYSYKLTISA-N	1	1	335.364	0.380	10	5		ECBEMO
CC[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O	ZINC000246258214	436776045	/nfs/dbraw/zinc/77/60/45/436776045.db2.gz	UBPJKAHXFIKLHM-AAEUAGOBSA-N	1	1	336.392	0.975	10	5		ECBEMO
C[C@H](C[NH+]1CCN(C)CC1)Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000301184687	437114823	/nfs/dbraw/zinc/11/48/23/437114823.db2.gz	JIWVOIFXEMDCGA-GFCCVEGCSA-N	1	1	346.391	0.651	10	5		ECBEMO
C[C@](O)(CNc1cc(CO)ccc1[N+](=O)[O-])C[NH+]1CCOCC1	ZINC000302070393	437138662	/nfs/dbraw/zinc/13/86/62/437138662.db2.gz	VPGYZSPCFUMSAK-HNNXBMFYSA-N	1	1	325.365	0.582	10	5		ECBEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000174343643	533673985	/nfs/dbraw/zinc/67/39/85/533673985.db2.gz	PVEBNCCRRVFFGT-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000174343643	533673994	/nfs/dbraw/zinc/67/39/94/533673994.db2.gz	PVEBNCCRRVFFGT-QWHCGFSZSA-N	1	1	337.376	0.887	10	5		ECBEMO
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195319877	165078452	/nfs/dbraw/zinc/07/84/52/165078452.db2.gz	WFNDGSDPTKEGCX-CQSZACIVSA-N	1	1	332.360	0.631	10	5		ECBEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000246649606	165139715	/nfs/dbraw/zinc/13/97/15/165139715.db2.gz	GIAFDYDIAKJXTO-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C	ZINC000246649606	165139718	/nfs/dbraw/zinc/13/97/18/165139718.db2.gz	GIAFDYDIAKJXTO-STQMWFEESA-N	1	1	337.376	0.887	10	5		ECBEMO
C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1[NH+]1CCOCC1	ZINC000160414884	436871837	/nfs/dbraw/zinc/87/18/37/436871837.db2.gz	UAQHPZYCDMLPGB-RYUDHWBXSA-N	1	1	332.364	0.794	10	5		ECBEMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1	ZINC000403984638	438463813	/nfs/dbraw/zinc/46/38/13/438463813.db2.gz	BUBKNXQCYLVCDL-ZYHUDNBSSA-N	1	1	327.362	0.346	10	5		ECBEMO
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CC[N@H+]2CCC[C@@H]2C1	ZINC000172502928	609773025	/nfs/dbraw/zinc/77/30/25/609773025.db2.gz	LOFHXVIIMIZQGR-GFCCVEGCSA-N	1	1	330.344	0.928	10	5		ECBEMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1	ZINC000403984633	301456802	/nfs/dbraw/zinc/45/68/02/301456802.db2.gz	BUBKNXQCYLVCDL-JQWIXIFHSA-N	1	1	327.362	0.346	10	5		ECBEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1	ZINC000106397398	436593683	/nfs/dbraw/zinc/59/36/83/436593683.db2.gz	WXPOZFAYEGZMLH-LBPRGKRZSA-N	1	1	347.375	1.000	10	5		ECBEMO
CCOCC[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C	ZINC000131818445	436857323	/nfs/dbraw/zinc/85/73/23/436857323.db2.gz	ZAIQHJQTZLAGTM-AWEZNQCLSA-N	1	1	338.408	0.799	10	5		ECBEMO
CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000182214144	437342417	/nfs/dbraw/zinc/34/24/17/437342417.db2.gz	NLEZJMJSYDFJGA-KBPBESRZSA-N	1	1	337.376	0.935	10	5		ECBEMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1	ZINC000404069675	438465821	/nfs/dbraw/zinc/46/58/21/438465821.db2.gz	OVQPWVWMXLDSOA-OLZOCXBDSA-N	1	1	327.362	0.346	10	5		ECBEMO