smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000130847326	205261397	/nfs/dbraw/zinc/26/13/97/205261397.db2.gz	JDZAWOUZMOXYEQ-LLVKDONJSA-N	1	2	330.344	1.203	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000130847326	205261398	/nfs/dbraw/zinc/26/13/98/205261398.db2.gz	JDZAWOUZMOXYEQ-LLVKDONJSA-N	1	2	330.344	1.203	10	5		EDBELO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C1	ZINC000157420924	206134586	/nfs/dbraw/zinc/13/45/86/206134586.db2.gz	UAIVGLSJAUANST-ZCFIWIBFSA-N	1	2	325.799	1.292	10	5		EDBELO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)C1	ZINC000157420924	206134590	/nfs/dbraw/zinc/13/45/90/206134590.db2.gz	UAIVGLSJAUANST-ZCFIWIBFSA-N	1	2	325.799	1.292	10	5		EDBELO
C[C@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173913118	441860845	/nfs/dbraw/zinc/86/08/45/441860845.db2.gz	ZNVWSDSQTMTAQH-LBPRGKRZSA-N	1	2	340.343	1.854	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C	ZINC000117289356	441866835	/nfs/dbraw/zinc/86/68/35/441866835.db2.gz	GUITWAXBGAUTDY-LLVKDONJSA-N	1	2	347.375	1.264	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C	ZINC000117289356	441866840	/nfs/dbraw/zinc/86/68/40/441866840.db2.gz	GUITWAXBGAUTDY-LLVKDONJSA-N	1	2	347.375	1.264	10	5		EDBELO
O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000120886628	442147271	/nfs/dbraw/zinc/14/72/71/442147271.db2.gz	OVOGVQNEDLNNOJ-INIZCTEOSA-N	1	2	333.388	1.461	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000172222366	442425331	/nfs/dbraw/zinc/42/53/31/442425331.db2.gz	JFERLKOZMCGNAM-NSHDSACASA-N	1	2	327.406	1.839	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C	ZINC000172222366	442425332	/nfs/dbraw/zinc/42/53/32/442425332.db2.gz	JFERLKOZMCGNAM-NSHDSACASA-N	1	2	327.406	1.839	10	5		EDBELO
CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000184306596	528482837	/nfs/dbraw/zinc/48/28/37/528482837.db2.gz	WQDNXWVKACGVLO-INIZCTEOSA-N	1	2	335.404	1.754	10	5		EDBELO
CCCC[N@H+]1CCOC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1	ZINC000184306596	528482840	/nfs/dbraw/zinc/48/28/40/528482840.db2.gz	WQDNXWVKACGVLO-INIZCTEOSA-N	1	2	335.404	1.754	10	5		EDBELO
Cc1sc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173966828	231085803	/nfs/dbraw/zinc/08/58/03/231085803.db2.gz	CXAKJDHVDOZRHF-ZWNOBZJWSA-N	1	2	339.417	1.757	10	5		EDBELO
CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000022065500	202078858	/nfs/dbraw/zinc/07/88/58/202078858.db2.gz	DVJDPXCMBGKHAJ-CQSZACIVSA-N	1	2	334.376	1.110	10	5		EDBELO
CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1	ZINC000022065500	202078862	/nfs/dbraw/zinc/07/88/62/202078862.db2.gz	DVJDPXCMBGKHAJ-CQSZACIVSA-N	1	2	334.376	1.110	10	5		EDBELO
O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000120886766	442147007	/nfs/dbraw/zinc/14/70/07/442147007.db2.gz	OVOGVQNEDLNNOJ-MRXNPFEDSA-N	1	2	333.388	1.461	10	5		EDBELO
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000153724381	442298747	/nfs/dbraw/zinc/29/87/47/442298747.db2.gz	GVWMHJQVTXOGMO-CQSZACIVSA-N	1	2	334.376	1.842	10	5		EDBELO
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000184204915	534887212	/nfs/dbraw/zinc/88/72/12/534887212.db2.gz	HIFBTWJNHOVRAX-CQSZACIVSA-N	1	2	339.417	1.595	10	5		EDBELO
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000184204915	534887215	/nfs/dbraw/zinc/88/72/15/534887215.db2.gz	HIFBTWJNHOVRAX-CQSZACIVSA-N	1	2	339.417	1.595	10	5		EDBELO
CC(C)(C)n1cc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1	ZINC000191081888	443237895	/nfs/dbraw/zinc/23/78/95/443237895.db2.gz	SKAXAUCLNJIBRM-LSDHHAIUSA-N	1	2	349.391	1.125	10	5		EDBELO
Cc1c(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000069925841	203399914	/nfs/dbraw/zinc/39/99/14/203399914.db2.gz	TYXNZIIZZGGYTE-QWRGUYRKSA-N	1	2	339.367	1.881	10	5		EDBELO
Cc1c(F)cc(C(=O)NC[C@H](C)[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-]	ZINC000069925841	203399916	/nfs/dbraw/zinc/39/99/16/203399916.db2.gz	TYXNZIIZZGGYTE-QWRGUYRKSA-N	1	2	339.367	1.881	10	5		EDBELO
C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1[NH+]1CCOCC1	ZINC000177266447	207314429	/nfs/dbraw/zinc/31/44/29/207314429.db2.gz	MVIPHFJUDPTBTO-DOMZBBRYSA-N	1	2	346.387	1.889	10	5		EDBELO
COc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000172752618	277797928	/nfs/dbraw/zinc/79/79/28/277797928.db2.gz	MMJDOPMJRRKRQP-ZDUSSCGKSA-N	1	2	335.360	1.150	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000173888162	441855911	/nfs/dbraw/zinc/85/59/11/441855911.db2.gz	ACITVSDUBNLJPP-BBRMVZONSA-N	1	2	333.388	1.696	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1	ZINC000128421214	442265617	/nfs/dbraw/zinc/26/56/17/442265617.db2.gz	RSLSJRNDFJWDLL-GFCCVEGCSA-N	1	2	347.293	1.674	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1	ZINC000128421214	442265619	/nfs/dbraw/zinc/26/56/19/442265619.db2.gz	RSLSJRNDFJWDLL-GFCCVEGCSA-N	1	2	347.293	1.674	10	5		EDBELO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705093	442372289	/nfs/dbraw/zinc/37/22/89/442372289.db2.gz	UHMOMJGDVVIVOW-DOMZBBRYSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705093	442372290	/nfs/dbraw/zinc/37/22/90/442372290.db2.gz	UHMOMJGDVVIVOW-DOMZBBRYSA-N	1	2	344.375	1.850	10	5		EDBELO
Cc1c(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000173776376	231029706	/nfs/dbraw/zinc/02/97/06/231029706.db2.gz	BCPDEIKCVZNJNA-ZDUSSCGKSA-N	1	2	334.376	1.842	10	5		EDBELO
COc1ccc(NC(=O)C[NH+]2CCC([C@H](C)O)CC2)c([N+](=O)[O-])c1	ZINC000111288203	138308455	/nfs/dbraw/zinc/30/84/55/138308455.db2.gz	QGCANWOJCWYVFV-NSHDSACASA-N	1	2	337.376	1.635	10	5		EDBELO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000105825828	204166445	/nfs/dbraw/zinc/16/64/45/204166445.db2.gz	IKHIKVYCLABJFW-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000105825828	204166447	/nfs/dbraw/zinc/16/64/47/204166447.db2.gz	IKHIKVYCLABJFW-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000105890287	204176686	/nfs/dbraw/zinc/17/66/86/204176686.db2.gz	MXSFRHHAEMFMGV-INIZCTEOSA-N	1	2	332.360	1.571	10	5		EDBELO
O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000105890287	204176690	/nfs/dbraw/zinc/17/66/90/204176690.db2.gz	MXSFRHHAEMFMGV-INIZCTEOSA-N	1	2	332.360	1.571	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCOCC1	ZINC000173971519	278414377	/nfs/dbraw/zinc/41/43/77/278414377.db2.gz	OENSLVXEBRRVIM-NHYWBVRUSA-N	1	2	337.351	1.527	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000121749774	441772699	/nfs/dbraw/zinc/77/26/99/441772699.db2.gz	SFJMAVCBKMHHSF-ZDUSSCGKSA-N	1	2	332.360	1.065	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1	ZINC000121749774	441772703	/nfs/dbraw/zinc/77/27/03/441772703.db2.gz	SFJMAVCBKMHHSF-ZDUSSCGKSA-N	1	2	332.360	1.065	10	5		EDBELO
C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000173973532	441871568	/nfs/dbraw/zinc/87/15/68/441871568.db2.gz	ZZKYDVDDCNEPGE-XHDPSFHLSA-N	1	2	337.351	1.527	10	5		EDBELO
C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1	ZINC000173850489	441849430	/nfs/dbraw/zinc/84/94/30/441849430.db2.gz	AIGDJWMWUAVZLI-ZYHUDNBSSA-N	1	2	325.390	1.449	10	5		EDBELO
C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1	ZINC000119867572	441966864	/nfs/dbraw/zinc/96/68/64/441966864.db2.gz	XMBKOTIFEXNGHP-NSHDSACASA-N	1	2	332.360	1.527	10	5		EDBELO
C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000183556206	534365805	/nfs/dbraw/zinc/36/58/05/534365805.db2.gz	IIVPVMMOFFAIRF-RISCZKNCSA-N	1	2	335.364	1.174	10	5		EDBELO
Cc1sc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000173966842	231085314	/nfs/dbraw/zinc/08/53/14/231085314.db2.gz	CXAKJDHVDOZRHF-GWCFXTLKSA-N	1	2	339.417	1.757	10	5		EDBELO
O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000137048533	441741920	/nfs/dbraw/zinc/74/19/20/441741920.db2.gz	AKANFRRBKDDSEJ-HOTGVXAUSA-N	1	2	332.360	1.226	10	5		EDBELO
O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](Cn3cccn3)C2)c1	ZINC000137048533	441741925	/nfs/dbraw/zinc/74/19/25/441741925.db2.gz	AKANFRRBKDDSEJ-HOTGVXAUSA-N	1	2	332.360	1.226	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCOCC1	ZINC000173971551	441871794	/nfs/dbraw/zinc/87/17/94/441871794.db2.gz	OENSLVXEBRRVIM-XHDPSFHLSA-N	1	2	337.351	1.527	10	5		EDBELO
C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156574	443149981	/nfs/dbraw/zinc/14/99/81/443149981.db2.gz	QFRIZXJQCPFYIN-CMPLNLGQSA-N	1	2	325.340	1.284	10	5		EDBELO
C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156574	443149985	/nfs/dbraw/zinc/14/99/85/443149985.db2.gz	QFRIZXJQCPFYIN-CMPLNLGQSA-N	1	2	325.340	1.284	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000173805930	231039847	/nfs/dbraw/zinc/03/98/47/231039847.db2.gz	JSJZOGJETHUCGC-DOMZBBRYSA-N	1	2	349.387	1.396	10	5		EDBELO
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CSC[NH2+]1	ZINC000037040280	213131557	/nfs/dbraw/zinc/13/15/57/213131557.db2.gz	SPHFZQSJJSVXEM-VIFPVBQESA-N	1	2	332.179	1.958	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCOCC1	ZINC000173870895	279819523	/nfs/dbraw/zinc/81/95/23/279819523.db2.gz	MHPWVXPCXDFJTM-QWRGUYRKSA-N	1	2	325.390	1.449	10	5		EDBELO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1	ZINC000192451410	442647771	/nfs/dbraw/zinc/64/77/71/442647771.db2.gz	KXWCAGFDSJIHOF-UHFFFAOYSA-N	1	2	336.421	1.724	10	5		EDBELO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000173853552	231052276	/nfs/dbraw/zinc/05/22/76/231052276.db2.gz	PAZVHGMIPZXZFT-NHYWBVRUSA-N	1	2	334.376	1.091	10	5		EDBELO
C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1	ZINC000117753666	221086643	/nfs/dbraw/zinc/08/66/43/221086643.db2.gz	QNVDKHZQCSZNJB-LLVKDONJSA-N	1	2	341.795	1.628	10	5		EDBELO
CC(C)NC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1	ZINC000108945426	441482302	/nfs/dbraw/zinc/48/23/02/441482302.db2.gz	XMQCZEOYYZYHCS-ZDUSSCGKSA-N	1	2	336.392	1.476	10	5		EDBELO
CC(C)NC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1	ZINC000108945426	441482304	/nfs/dbraw/zinc/48/23/04/441482304.db2.gz	XMQCZEOYYZYHCS-ZDUSSCGKSA-N	1	2	336.392	1.476	10	5		EDBELO
O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CSC[NH2+]1	ZINC000159458479	225221781	/nfs/dbraw/zinc/22/17/81/225221781.db2.gz	LCCIREUAUCKEKM-VIFPVBQESA-N	1	2	332.179	1.958	10	5		EDBELO
Nc1[nH+]cccc1Cn1cc([N+](=O)[O-])cc(Br)c1=O	ZINC000165420978	226123480	/nfs/dbraw/zinc/12/34/80/226123480.db2.gz	MKJSCVXWSGVGHL-UHFFFAOYSA-N	1	2	325.122	1.545	10	5		EDBELO
COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000171702019	227228752	/nfs/dbraw/zinc/22/87/52/227228752.db2.gz	QWXOWEYHLFUURR-JTQLQIEISA-N	1	2	325.390	1.979	10	5		EDBELO
COc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000171702019	227228760	/nfs/dbraw/zinc/22/87/60/227228760.db2.gz	QWXOWEYHLFUURR-JTQLQIEISA-N	1	2	325.390	1.979	10	5		EDBELO
COc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1C	ZINC000188466018	442753252	/nfs/dbraw/zinc/75/32/52/442753252.db2.gz	PJNDJJDIWSNXLN-LLVKDONJSA-N	1	2	337.376	1.362	10	5		EDBELO
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000172769241	534658792	/nfs/dbraw/zinc/65/87/92/534658792.db2.gz	IMJKWPFXHJKIPG-ZDUSSCGKSA-N	1	2	339.779	1.795	10	5		EDBELO
Cc1sc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173966850	231085828	/nfs/dbraw/zinc/08/58/28/231085828.db2.gz	CXAKJDHVDOZRHF-MFKMUULPSA-N	1	2	339.417	1.757	10	5		EDBELO
C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+]1CCOCC1	ZINC000246452690	139108983	/nfs/dbraw/zinc/10/89/83/139108983.db2.gz	MVIPHFJUDPTBTO-IUODEOHRSA-N	1	2	346.387	1.889	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000134430484	442482227	/nfs/dbraw/zinc/48/22/27/442482227.db2.gz	KONODOSYRBTFLX-XHDPSFHLSA-N	1	2	337.351	1.527	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000117290889	221046178	/nfs/dbraw/zinc/04/61/78/221046178.db2.gz	ZCIYGERCUWOXCT-GFCCVEGCSA-N	1	2	337.376	1.396	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000117290889	221046181	/nfs/dbraw/zinc/04/61/81/221046181.db2.gz	ZCIYGERCUWOXCT-GFCCVEGCSA-N	1	2	337.376	1.396	10	5		EDBELO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705090	533327334	/nfs/dbraw/zinc/32/73/34/533327334.db2.gz	UHMOMJGDVVIVOW-WFASDCNBSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705090	533327340	/nfs/dbraw/zinc/32/73/40/533327340.db2.gz	UHMOMJGDVVIVOW-WFASDCNBSA-N	1	2	344.375	1.850	10	5		EDBELO
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000126720764	138338485	/nfs/dbraw/zinc/33/84/85/138338485.db2.gz	KHKGEOITEZMDRQ-GFCCVEGCSA-N	1	2	339.417	1.767	10	5		EDBELO
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000126720764	138338486	/nfs/dbraw/zinc/33/84/86/138338486.db2.gz	KHKGEOITEZMDRQ-GFCCVEGCSA-N	1	2	339.417	1.767	10	5		EDBELO
Cc1nnc([C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000246205035	139099060	/nfs/dbraw/zinc/09/90/60/139099060.db2.gz	BLVGQSOHCZVIRH-KGLIPLIRSA-N	1	2	333.348	1.128	10	5		EDBELO
Cc1nnc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000246205035	139099061	/nfs/dbraw/zinc/09/90/61/139099061.db2.gz	BLVGQSOHCZVIRH-KGLIPLIRSA-N	1	2	333.348	1.128	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1	ZINC000121267574	442197797	/nfs/dbraw/zinc/19/77/97/442197797.db2.gz	LZGDMDFCNWAHMN-FZMZJTMJSA-N	1	2	338.314	1.877	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1	ZINC000121267574	442197800	/nfs/dbraw/zinc/19/78/00/442197800.db2.gz	LZGDMDFCNWAHMN-FZMZJTMJSA-N	1	2	338.314	1.877	10	5		EDBELO
CNC(=O)[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C	ZINC000183640902	442948161	/nfs/dbraw/zinc/94/81/61/442948161.db2.gz	CIHFOPJGVSZWEW-CYBMUJFWSA-N	1	2	333.348	1.505	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000173805943	231040171	/nfs/dbraw/zinc/04/01/71/231040171.db2.gz	JSJZOGJETHUCGC-WFASDCNBSA-N	1	2	349.387	1.396	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000117773966	221087545	/nfs/dbraw/zinc/08/75/45/221087545.db2.gz	AUUUVYHKDKMOII-LBPRGKRZSA-N	1	2	327.768	1.238	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000117773966	221087547	/nfs/dbraw/zinc/08/75/47/221087547.db2.gz	AUUUVYHKDKMOII-LBPRGKRZSA-N	1	2	327.768	1.238	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000105898096	441312427	/nfs/dbraw/zinc/31/24/27/441312427.db2.gz	UQLMTCCGMHNMLT-CQSZACIVSA-N	1	2	344.375	1.770	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000105898096	441312432	/nfs/dbraw/zinc/31/24/32/441312432.db2.gz	UQLMTCCGMHNMLT-CQSZACIVSA-N	1	2	344.375	1.770	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C	ZINC000186631005	442577656	/nfs/dbraw/zinc/57/76/56/442577656.db2.gz	GTNDGAVJRCNZIO-LBPRGKRZSA-N	1	2	337.376	1.483	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1C	ZINC000186631005	442577659	/nfs/dbraw/zinc/57/76/59/442577659.db2.gz	GTNDGAVJRCNZIO-LBPRGKRZSA-N	1	2	337.376	1.483	10	5		EDBELO
O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1	ZINC000193766758	442782779	/nfs/dbraw/zinc/78/27/79/442782779.db2.gz	XEJCVYCTNRAGCV-AWEZNQCLSA-N	1	2	336.348	1.410	10	5		EDBELO
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000184716174	443064252	/nfs/dbraw/zinc/06/42/52/443064252.db2.gz	FWEZRVWILKMYFZ-GDBMZVCRSA-N	1	2	335.404	1.610	10	5		EDBELO
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000184716174	443064253	/nfs/dbraw/zinc/06/42/53/443064253.db2.gz	FWEZRVWILKMYFZ-GDBMZVCRSA-N	1	2	335.404	1.610	10	5		EDBELO
C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173967851	534305912	/nfs/dbraw/zinc/30/59/12/534305912.db2.gz	SGEXHXANMRQOII-CJNGLKHVSA-N	1	2	349.387	1.153	10	5		EDBELO
COC[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000050120549	214045748	/nfs/dbraw/zinc/04/57/48/214045748.db2.gz	MHIYGMMBGVVJOO-LLVKDONJSA-N	1	2	333.182	1.796	10	5		EDBELO
COC[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000050120549	214045749	/nfs/dbraw/zinc/04/57/49/214045749.db2.gz	MHIYGMMBGVVJOO-LLVKDONJSA-N	1	2	333.182	1.796	10	5		EDBELO
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000248424712	139163258	/nfs/dbraw/zinc/16/32/58/139163258.db2.gz	HIFBTWJNHOVRAX-AWEZNQCLSA-N	1	2	339.417	1.595	10	5		EDBELO
O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000248424712	139163259	/nfs/dbraw/zinc/16/32/59/139163259.db2.gz	HIFBTWJNHOVRAX-AWEZNQCLSA-N	1	2	339.417	1.595	10	5		EDBELO
CNc1cc(N2CCC[C@H]2CNc2ncc([N+](=O)[O-])s2)nc[nH+]1	ZINC000190325119	533053107	/nfs/dbraw/zinc/05/31/07/533053107.db2.gz	YDYXOGQGHRJRLB-VIFPVBQESA-N	1	2	335.393	1.964	10	5		EDBELO
CNc1cc(N2CCC[C@H]2CNc2ncc([N+](=O)[O-])s2)[nH+]cn1	ZINC000190325119	533053110	/nfs/dbraw/zinc/05/31/10/533053110.db2.gz	YDYXOGQGHRJRLB-VIFPVBQESA-N	1	2	335.393	1.964	10	5		EDBELO
COc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173968051	286282530	/nfs/dbraw/zinc/28/25/30/286282530.db2.gz	YRMWVIQTCZAYTK-DOMZBBRYSA-N	1	2	349.387	1.396	10	5		EDBELO
Cc1cc(Br)c(NC(=O)[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000169239462	226235118	/nfs/dbraw/zinc/23/51/18/226235118.db2.gz	NMGLJJBWXSFTJA-SNVBAGLBSA-N	1	2	344.165	1.593	10	5		EDBELO
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173944988	441866597	/nfs/dbraw/zinc/86/65/97/441866597.db2.gz	KPSJSJOOMDUNMX-LBPRGKRZSA-N	1	2	340.343	1.854	10	5		EDBELO
Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173770859	231029211	/nfs/dbraw/zinc/02/92/11/231029211.db2.gz	SIRVTEIZUHVVAV-AWEZNQCLSA-N	1	2	334.376	1.842	10	5		EDBELO
Cc1ccnc(Nc2[nH]cnc(=NN3CC[NH+](C)CC3)c2[N+](=O)[O-])c1	ZINC000040588218	213355721	/nfs/dbraw/zinc/35/57/21/213355721.db2.gz	AIHGHMQXPDYTAV-UHFFFAOYSA-N	1	2	344.379	1.406	10	5		EDBELO
O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCOCC2)ccc2ncccc21	ZINC000112072996	220239151	/nfs/dbraw/zinc/23/91/51/220239151.db2.gz	YKUZEPQFYGFBSG-LBPRGKRZSA-N	1	2	332.360	1.248	10	5		EDBELO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000105890538	441308896	/nfs/dbraw/zinc/30/88/96/441308896.db2.gz	ROEUGXXANBYTGJ-CQSZACIVSA-N	1	2	332.360	1.571	10	5		EDBELO
O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000105890538	441308899	/nfs/dbraw/zinc/30/88/99/441308899.db2.gz	ROEUGXXANBYTGJ-CQSZACIVSA-N	1	2	332.360	1.571	10	5		EDBELO
Cc1cc(C)n(C[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)n1	ZINC000176234157	442197705	/nfs/dbraw/zinc/19/77/05/442197705.db2.gz	PQZMYKIHSAVPIZ-CQSZACIVSA-N	1	2	334.380	1.006	10	5		EDBELO
Cc1cc(C)n(C[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)n1	ZINC000176234157	442197710	/nfs/dbraw/zinc/19/77/10/442197710.db2.gz	PQZMYKIHSAVPIZ-CQSZACIVSA-N	1	2	334.380	1.006	10	5		EDBELO
CCOC(=O)[C@@H]([NH3+])COc1cccc([N+](=O)[O-])c1Br	ZINC000159353220	527796595	/nfs/dbraw/zinc/79/65/95/527796595.db2.gz	ALEXNQOPQGHQKP-ZETCQYMHSA-N	1	2	333.138	1.627	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000117290892	221045553	/nfs/dbraw/zinc/04/55/53/221045553.db2.gz	ZCIYGERCUWOXCT-LBPRGKRZSA-N	1	2	337.376	1.396	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000117290892	221045554	/nfs/dbraw/zinc/04/55/54/221045554.db2.gz	ZCIYGERCUWOXCT-LBPRGKRZSA-N	1	2	337.376	1.396	10	5		EDBELO
CCc1noc([C@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1	ZINC000174849950	441975862	/nfs/dbraw/zinc/97/58/62/441975862.db2.gz	CUOBRXYSUKIZFY-LBPRGKRZSA-N	1	2	349.395	1.116	10	5		EDBELO
O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000172769251	442539872	/nfs/dbraw/zinc/53/98/72/442539872.db2.gz	IMJKWPFXHJKIPG-CYBMUJFWSA-N	1	2	339.779	1.795	10	5		EDBELO
O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000172744465	442531268	/nfs/dbraw/zinc/53/12/68/442531268.db2.gz	SZCZSSAPJBPUSR-CQSZACIVSA-N	1	2	348.403	1.330	10	5		EDBELO
C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1	ZINC000184807253	443079566	/nfs/dbraw/zinc/07/95/66/443079566.db2.gz	HLCOBGGEVTVHQM-NEPJUHHUSA-N	1	2	339.367	1.674	10	5		EDBELO
Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173822267	231044647	/nfs/dbraw/zinc/04/46/47/231044647.db2.gz	HYXWFJFEGMLQRT-CZUORRHYSA-N	1	2	333.388	1.696	10	5		EDBELO
CCc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000174342370	529601463	/nfs/dbraw/zinc/60/14/63/529601463.db2.gz	YWCFWUDCNQOAEH-GUYCJALGSA-N	1	2	347.415	1.950	10	5		EDBELO
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CSC[NH2+]1	ZINC000037040281	213131563	/nfs/dbraw/zinc/13/15/63/213131563.db2.gz	SPHFZQSJJSVXEM-SECBINFHSA-N	1	2	332.179	1.958	10	5		EDBELO
O=c1c([N+](=O)[O-])c(SCC[NH+]2CCOCC2)nc2ccccn21	ZINC000090069724	441618194	/nfs/dbraw/zinc/61/81/94/441618194.db2.gz	HVRFAMFWOJDRQI-UHFFFAOYSA-N	1	2	336.373	1.027	10	5		EDBELO
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1	ZINC000173971472	533212252	/nfs/dbraw/zinc/21/22/52/533212252.db2.gz	SYPORDVDTQYMGY-MLGOLLRUSA-N	1	2	349.387	1.396	10	5		EDBELO
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705387	227235409	/nfs/dbraw/zinc/23/54/09/227235409.db2.gz	TYIVEBFDGMUBKD-WFASDCNBSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705387	227235412	/nfs/dbraw/zinc/23/54/12/227235412.db2.gz	TYIVEBFDGMUBKD-WFASDCNBSA-N	1	2	344.375	1.850	10	5		EDBELO
Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000262409851	139277076	/nfs/dbraw/zinc/27/70/76/139277076.db2.gz	PEMWIHRIYXITAZ-UHFFFAOYSA-N	1	2	346.347	1.148	10	5		EDBELO
C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000173848024	441849504	/nfs/dbraw/zinc/84/95/04/441849504.db2.gz	XTAOUXXPYNZPDT-DZGCQCFKSA-N	1	2	349.387	1.153	10	5		EDBELO
C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000175413785	442059095	/nfs/dbraw/zinc/05/90/95/442059095.db2.gz	CHUURYMBQKYFLA-SNVBAGLBSA-N	1	2	327.768	1.699	10	5		EDBELO
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000172750257	442534110	/nfs/dbraw/zinc/53/41/10/442534110.db2.gz	SWYNHVJQHLRQMQ-GFCCVEGCSA-N	1	2	335.360	1.150	10	5		EDBELO
C[N@@H+]1CCc2nc(C(=O)NCc3ccccc3[N+](=O)[O-])sc2C1	ZINC000584656004	448589610	/nfs/dbraw/zinc/58/96/10/448589610.db2.gz	PSLBKPFIPJHIKU-UHFFFAOYSA-N	1	2	332.385	1.969	10	5		EDBELO
C[N@H+]1CCc2nc(C(=O)NCc3ccccc3[N+](=O)[O-])sc2C1	ZINC000584656004	448589619	/nfs/dbraw/zinc/58/96/19/448589619.db2.gz	PSLBKPFIPJHIKU-UHFFFAOYSA-N	1	2	332.385	1.969	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000173849618	534333317	/nfs/dbraw/zinc/33/33/17/534333317.db2.gz	KQXDXPXQPPURMG-BBRMVZONSA-N	1	2	333.388	1.696	10	5		EDBELO
CCOC(=O)[C@H]([NH3+])COc1cccc([N+](=O)[O-])c1Br	ZINC000159353081	528028671	/nfs/dbraw/zinc/02/86/71/528028671.db2.gz	ALEXNQOPQGHQKP-SSDOTTSWSA-N	1	2	333.138	1.627	10	5		EDBELO
Nc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c[nH+]1	ZINC000050829907	214070617	/nfs/dbraw/zinc/07/06/17/214070617.db2.gz	RFNLPMHFXSXKEX-UHFFFAOYSA-N	1	2	325.122	1.545	10	5		EDBELO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000173853562	231052539	/nfs/dbraw/zinc/05/25/39/231052539.db2.gz	PAZVHGMIPZXZFT-ABAIWWIYSA-N	1	2	334.376	1.091	10	5		EDBELO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000045816085	441043690	/nfs/dbraw/zinc/04/36/90/441043690.db2.gz	WXZOGNJKWCBMIZ-GFCCVEGCSA-N	1	2	325.390	1.454	10	5		EDBELO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000045816085	441043696	/nfs/dbraw/zinc/04/36/96/441043696.db2.gz	WXZOGNJKWCBMIZ-GFCCVEGCSA-N	1	2	325.390	1.454	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000162912070	442130672	/nfs/dbraw/zinc/13/06/72/442130672.db2.gz	LXPFBVWIGMTDTD-CQSZACIVSA-N	1	2	334.376	1.842	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1	ZINC000121268003	442197938	/nfs/dbraw/zinc/19/79/38/442197938.db2.gz	LZGDMDFCNWAHMN-BXUZGUMPSA-N	1	2	338.314	1.877	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1	ZINC000121268003	442197939	/nfs/dbraw/zinc/19/79/39/442197939.db2.gz	LZGDMDFCNWAHMN-BXUZGUMPSA-N	1	2	338.314	1.877	10	5		EDBELO
Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173822254	231044112	/nfs/dbraw/zinc/04/41/12/231044112.db2.gz	HYXWFJFEGMLQRT-XJKSGUPXSA-N	1	2	333.388	1.696	10	5		EDBELO
Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173822291	231044248	/nfs/dbraw/zinc/04/42/48/231044248.db2.gz	HYXWFJFEGMLQRT-CJNGLKHVSA-N	1	2	333.388	1.696	10	5		EDBELO
Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000173960096	231081578	/nfs/dbraw/zinc/08/15/78/231081578.db2.gz	DMWPOMUWFNAZRU-BBRMVZONSA-N	1	2	333.388	1.696	10	5		EDBELO
C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000055300567	441639926	/nfs/dbraw/zinc/63/99/26/441639926.db2.gz	CBUOHZVGVWDKTH-ZDUSSCGKSA-N	1	2	337.376	1.201	10	5		EDBELO
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1	ZINC000193880525	442804407	/nfs/dbraw/zinc/80/44/07/442804407.db2.gz	RBZIODSTSDUIAF-OAHLLOKOSA-N	1	2	339.417	1.595	10	5		EDBELO
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1	ZINC000193880525	442804411	/nfs/dbraw/zinc/80/44/11/442804411.db2.gz	RBZIODSTSDUIAF-OAHLLOKOSA-N	1	2	339.417	1.595	10	5		EDBELO
Cc1cccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1[N+](=O)[O-]	ZINC000173967033	534599128	/nfs/dbraw/zinc/59/91/28/534599128.db2.gz	ZJDUOQWXOSXZGZ-ZFWWWQNUSA-N	1	2	333.388	1.696	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C	ZINC000117289360	221045171	/nfs/dbraw/zinc/04/51/71/221045171.db2.gz	GUITWAXBGAUTDY-NSHDSACASA-N	1	2	347.375	1.264	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C	ZINC000117289360	221045173	/nfs/dbraw/zinc/04/51/73/221045173.db2.gz	GUITWAXBGAUTDY-NSHDSACASA-N	1	2	347.375	1.264	10	5		EDBELO
C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1	ZINC000152077493	442162538	/nfs/dbraw/zinc/16/25/38/442162538.db2.gz	JAKTWKJIHPDEQE-LBPRGKRZSA-N	1	2	346.387	1.456	10	5		EDBELO
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000195063076	139006003	/nfs/dbraw/zinc/00/60/03/139006003.db2.gz	JYTNAJBVLPMPIP-LBPRGKRZSA-N	1	2	329.360	1.781	10	5		EDBELO
O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000195063076	139006004	/nfs/dbraw/zinc/00/60/04/139006004.db2.gz	JYTNAJBVLPMPIP-LBPRGKRZSA-N	1	2	329.360	1.781	10	5		EDBELO
C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000177256890	442321187	/nfs/dbraw/zinc/32/11/87/442321187.db2.gz	FAZNTDYYCUBQOB-BBRMVZONSA-N	1	2	348.403	1.186	10	5		EDBELO
C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000177256890	442321190	/nfs/dbraw/zinc/32/11/90/442321190.db2.gz	FAZNTDYYCUBQOB-BBRMVZONSA-N	1	2	348.403	1.186	10	5		EDBELO
C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1	ZINC000177256890	442321193	/nfs/dbraw/zinc/32/11/93/442321193.db2.gz	FAZNTDYYCUBQOB-BBRMVZONSA-N	1	2	348.403	1.186	10	5		EDBELO
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000172765520	442537887	/nfs/dbraw/zinc/53/78/87/442537887.db2.gz	NJPWCRVLNZUFMH-GFCCVEGCSA-N	1	2	339.779	1.795	10	5		EDBELO
Nc1cccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)[nH+]1	ZINC000165422048	534740284	/nfs/dbraw/zinc/74/02/84/534740284.db2.gz	PNOSYQMUNFSHOE-UHFFFAOYSA-N	1	2	325.122	1.545	10	5		EDBELO
COC(=O)[C@H]1C[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1	ZINC000098089496	219083124	/nfs/dbraw/zinc/08/31/24/219083124.db2.gz	GHSFTHKMRDWNNK-RKDXNWHRSA-N	1	2	345.149	1.640	10	5		EDBELO
CNc1cc(C)[nH+]c(Cn2cc(Br)c([N+](=O)[O-])n2)n1	ZINC000163881243	533046930	/nfs/dbraw/zinc/04/69/30/533046930.db2.gz	FIZGCTCLUHKCJF-UHFFFAOYSA-N	1	2	327.142	1.742	10	5		EDBELO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1	ZINC000105825796	441281861	/nfs/dbraw/zinc/28/18/61/441281861.db2.gz	VOCGMYXVMKSEFJ-UHFFFAOYSA-N	1	2	333.348	1.269	10	5		EDBELO
Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1	ZINC000105825796	441281865	/nfs/dbraw/zinc/28/18/65/441281865.db2.gz	VOCGMYXVMKSEFJ-UHFFFAOYSA-N	1	2	333.348	1.269	10	5		EDBELO
C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000182874268	442839693	/nfs/dbraw/zinc/83/96/93/442839693.db2.gz	UIMILCHSWVLFRY-VSOYFRJCSA-N	1	2	345.399	1.931	10	5		EDBELO
C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000173973522	534404508	/nfs/dbraw/zinc/40/45/08/534404508.db2.gz	ZZKYDVDDCNEPGE-IAQYHMDHSA-N	1	2	337.351	1.527	10	5		EDBELO
Cc1cccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000173967020	534598173	/nfs/dbraw/zinc/59/81/73/534598173.db2.gz	ZJDUOQWXOSXZGZ-UKRRQHHQSA-N	1	2	333.388	1.696	10	5		EDBELO
C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000246337605	139104734	/nfs/dbraw/zinc/10/47/34/139104734.db2.gz	FAZNTDYYCUBQOB-CZUORRHYSA-N	1	2	348.403	1.186	10	5		EDBELO
C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000246337605	139104735	/nfs/dbraw/zinc/10/47/35/139104735.db2.gz	FAZNTDYYCUBQOB-CZUORRHYSA-N	1	2	348.403	1.186	10	5		EDBELO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1	ZINC000246337605	139104736	/nfs/dbraw/zinc/10/47/36/139104736.db2.gz	FAZNTDYYCUBQOB-CZUORRHYSA-N	1	2	348.403	1.186	10	5		EDBELO
CCc1n[nH]c(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-]	ZINC000172309457	442441735	/nfs/dbraw/zinc/44/17/35/442441735.db2.gz	QZXKGISIEUVNJW-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCc1n[nH]c(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-]	ZINC000172309457	442441738	/nfs/dbraw/zinc/44/17/38/442441738.db2.gz	QZXKGISIEUVNJW-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCc1[nH]nc(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-]	ZINC000172309457	442441740	/nfs/dbraw/zinc/44/17/40/442441740.db2.gz	QZXKGISIEUVNJW-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCc1[nH]nc(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)c1[N+](=O)[O-]	ZINC000172309457	442441742	/nfs/dbraw/zinc/44/17/42/442441742.db2.gz	QZXKGISIEUVNJW-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CNC(=O)[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C	ZINC000183674319	442951325	/nfs/dbraw/zinc/95/13/25/442951325.db2.gz	LZHIYPMMOKDCGN-CYBMUJFWSA-N	1	2	333.348	1.505	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000246332406	139104477	/nfs/dbraw/zinc/10/44/77/139104477.db2.gz	DULPDYREKZRRPS-CZUORRHYSA-N	1	2	335.404	1.756	10	5		EDBELO
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000172765526	442537828	/nfs/dbraw/zinc/53/78/28/442537828.db2.gz	FJXHHXIPTRNMSB-GIZXNFQBSA-N	1	2	331.372	1.541	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000077169752	441725992	/nfs/dbraw/zinc/72/59/92/441725992.db2.gz	YDXWJXWIDQLKKC-AAEUAGOBSA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000077169752	441725996	/nfs/dbraw/zinc/72/59/96/441725996.db2.gz	YDXWJXWIDQLKKC-AAEUAGOBSA-N	1	2	334.376	1.522	10	5		EDBELO
C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000134584113	442498125	/nfs/dbraw/zinc/49/81/25/442498125.db2.gz	DGDDNNBUSMIKSH-SNVBAGLBSA-N	1	2	327.768	1.699	10	5		EDBELO
C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156630	443149855	/nfs/dbraw/zinc/14/98/55/443149855.db2.gz	QFRIZXJQCPFYIN-PWSUYJOCSA-N	1	2	325.340	1.284	10	5		EDBELO
C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156630	443149858	/nfs/dbraw/zinc/14/98/58/443149858.db2.gz	QFRIZXJQCPFYIN-PWSUYJOCSA-N	1	2	325.340	1.284	10	5		EDBELO
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173795779	534673409	/nfs/dbraw/zinc/67/34/09/534673409.db2.gz	QSSFLSHRBGRGAP-HNNXBMFYSA-N	1	2	334.376	1.211	10	5		EDBELO
Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc([N+](=O)[O-])c1	ZINC000173855847	231052713	/nfs/dbraw/zinc/05/27/13/231052713.db2.gz	KOQOCRXKGOCEMN-XJKSGUPXSA-N	1	2	333.388	1.696	10	5		EDBELO
C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1	ZINC000173967884	138677976	/nfs/dbraw/zinc/67/79/76/138677976.db2.gz	SGEXHXANMRQOII-CZUORRHYSA-N	1	2	349.387	1.153	10	5		EDBELO
C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1	ZINC000123101103	222215633	/nfs/dbraw/zinc/21/56/33/222215633.db2.gz	CNEUBKKIJYFEFH-JTQLQIEISA-N	1	2	326.316	1.995	10	5		EDBELO
O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000173795792	534672924	/nfs/dbraw/zinc/67/29/24/534672924.db2.gz	QSSFLSHRBGRGAP-OAHLLOKOSA-N	1	2	334.376	1.211	10	5		EDBELO
Cc1c(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000125883995	138336641	/nfs/dbraw/zinc/33/66/41/138336641.db2.gz	MQKCJMBROJBUJV-OAHLLOKOSA-N	1	2	333.388	1.379	10	5		EDBELO
Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1	ZINC000194771929	139000470	/nfs/dbraw/zinc/00/04/70/139000470.db2.gz	AYONCWLQSDCZGD-ZFWWWQNUSA-N	1	2	333.388	1.696	10	5		EDBELO
Cc1nnc([C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1	ZINC000173664738	441819607	/nfs/dbraw/zinc/81/96/07/441819607.db2.gz	FDCHRPNUHUHPGP-HNNXBMFYSA-N	1	2	347.375	1.864	10	5		EDBELO
Cc1nnc([C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1	ZINC000173664738	441819613	/nfs/dbraw/zinc/81/96/13/441819613.db2.gz	FDCHRPNUHUHPGP-HNNXBMFYSA-N	1	2	347.375	1.864	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000195673372	534579989	/nfs/dbraw/zinc/57/99/89/534579989.db2.gz	YDXWJXWIDQLKKC-WCQYABFASA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000195673372	534579993	/nfs/dbraw/zinc/57/99/93/534579993.db2.gz	YDXWJXWIDQLKKC-WCQYABFASA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1	ZINC000077169707	138251812	/nfs/dbraw/zinc/25/18/12/138251812.db2.gz	YQXHLFQMEOSPFY-CYBMUJFWSA-N	1	2	334.376	1.442	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1	ZINC000077169707	138251813	/nfs/dbraw/zinc/25/18/13/138251813.db2.gz	YQXHLFQMEOSPFY-CYBMUJFWSA-N	1	2	334.376	1.442	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1	ZINC000108945582	204275384	/nfs/dbraw/zinc/27/53/84/204275384.db2.gz	RXTWVKIXBBWJBA-ZDUSSCGKSA-N	1	2	334.376	1.230	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1	ZINC000108945582	204275388	/nfs/dbraw/zinc/27/53/88/204275388.db2.gz	RXTWVKIXBBWJBA-ZDUSSCGKSA-N	1	2	334.376	1.230	10	5		EDBELO
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000177783245	207397130	/nfs/dbraw/zinc/39/71/30/207397130.db2.gz	QMTJTJNTYIFMSD-CYBMUJFWSA-N	1	2	332.364	1.378	10	5		EDBELO
CNc1cc(N2CCC[C@@H]2CNc2ncc([N+](=O)[O-])s2)nc[nH+]1	ZINC000190325096	533051485	/nfs/dbraw/zinc/05/14/85/533051485.db2.gz	YDYXOGQGHRJRLB-SECBINFHSA-N	1	2	335.393	1.964	10	5		EDBELO
CNc1cc(N2CCC[C@@H]2CNc2ncc([N+](=O)[O-])s2)[nH+]cn1	ZINC000190325096	533051488	/nfs/dbraw/zinc/05/14/88/533051488.db2.gz	YDYXOGQGHRJRLB-SECBINFHSA-N	1	2	335.393	1.964	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C	ZINC000117275416	276321797	/nfs/dbraw/zinc/32/17/97/276321797.db2.gz	FWUSHNBYIAACSL-NSHDSACASA-N	1	2	327.406	1.839	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C	ZINC000117275416	276321799	/nfs/dbraw/zinc/32/17/99/276321799.db2.gz	FWUSHNBYIAACSL-NSHDSACASA-N	1	2	327.406	1.839	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173888143	441855578	/nfs/dbraw/zinc/85/55/78/441855578.db2.gz	ACITVSDUBNLJPP-XJKSGUPXSA-N	1	2	333.388	1.696	10	5		EDBELO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)C1	ZINC000171702105	442371852	/nfs/dbraw/zinc/37/18/52/442371852.db2.gz	MYUQFBQQKPHOMZ-JTQLQIEISA-N	1	2	325.390	1.979	10	5		EDBELO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C)C1	ZINC000171702105	442371855	/nfs/dbraw/zinc/37/18/55/442371855.db2.gz	MYUQFBQQKPHOMZ-JTQLQIEISA-N	1	2	325.390	1.979	10	5		EDBELO
CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CCOC	ZINC000186632978	442578793	/nfs/dbraw/zinc/57/87/93/442578793.db2.gz	DEDABUDVXVHFFR-GFCCVEGCSA-N	1	2	337.376	1.483	10	5		EDBELO
CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CCOC	ZINC000186632978	442578796	/nfs/dbraw/zinc/57/87/96/442578796.db2.gz	DEDABUDVXVHFFR-GFCCVEGCSA-N	1	2	337.376	1.483	10	5		EDBELO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1	ZINC000105825799	204166545	/nfs/dbraw/zinc/16/65/45/204166545.db2.gz	WWHSNVGIUJDUTO-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1	ZINC000105825799	204166547	/nfs/dbraw/zinc/16/65/47/204166547.db2.gz	WWHSNVGIUJDUTO-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1	ZINC000173979304	441873234	/nfs/dbraw/zinc/87/32/34/441873234.db2.gz	IMTMKBLSKMGWLA-DOMZBBRYSA-N	1	2	348.403	1.278	10	5		EDBELO
C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000173847995	441849794	/nfs/dbraw/zinc/84/97/94/441849794.db2.gz	XTAOUXXPYNZPDT-ZFWWWQNUSA-N	1	2	349.387	1.153	10	5		EDBELO
C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000134430417	442481951	/nfs/dbraw/zinc/48/19/51/442481951.db2.gz	KONODOSYRBTFLX-ABAIWWIYSA-N	1	2	337.351	1.527	10	5		EDBELO
CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000101564274	204010634	/nfs/dbraw/zinc/01/06/34/204010634.db2.gz	UFOCRSYSWXVXLA-AWEZNQCLSA-N	1	2	348.403	1.574	10	5		EDBELO
CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000101564274	204010637	/nfs/dbraw/zinc/01/06/37/204010637.db2.gz	UFOCRSYSWXVXLA-AWEZNQCLSA-N	1	2	348.403	1.574	10	5		EDBELO
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705391	442372292	/nfs/dbraw/zinc/37/22/92/442372292.db2.gz	TYIVEBFDGMUBKD-DOMZBBRYSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171705391	442372293	/nfs/dbraw/zinc/37/22/93/442372293.db2.gz	TYIVEBFDGMUBKD-DOMZBBRYSA-N	1	2	344.375	1.850	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171615783	442363357	/nfs/dbraw/zinc/36/33/57/442363357.db2.gz	LPQFRWBYBBRQOR-AWEZNQCLSA-N	1	2	344.375	1.770	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171615783	442363358	/nfs/dbraw/zinc/36/33/58/442363358.db2.gz	LPQFRWBYBBRQOR-AWEZNQCLSA-N	1	2	344.375	1.770	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000173770952	534342121	/nfs/dbraw/zinc/34/21/21/534342121.db2.gz	IFPBLPFSUOAIAL-CQSZACIVSA-N	1	2	334.376	1.842	10	5		EDBELO
Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000173960085	231081701	/nfs/dbraw/zinc/08/17/01/231081701.db2.gz	DMWPOMUWFNAZRU-CZUORRHYSA-N	1	2	333.388	1.696	10	5		EDBELO
CN(C[C@@H]1C[N@H+](C)CCO1)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000610769767	450329322	/nfs/dbraw/zinc/32/93/22/450329322.db2.gz	XPVSTMYZJYUCQI-JTQLQIEISA-N	1	2	345.197	1.519	10	5		EDBELO
CN(C[C@@H]1C[N@@H+](C)CCO1)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000610769767	450329325	/nfs/dbraw/zinc/32/93/25/450329325.db2.gz	XPVSTMYZJYUCQI-JTQLQIEISA-N	1	2	345.197	1.519	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000080024911	201250907	/nfs/dbraw/zinc/25/09/07/201250907.db2.gz	SSXHBVLCVGCFBK-ZDUSSCGKSA-N	1	2	334.376	1.442	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000080024911	201250909	/nfs/dbraw/zinc/25/09/09/201250909.db2.gz	SSXHBVLCVGCFBK-ZDUSSCGKSA-N	1	2	334.376	1.442	10	5		EDBELO
COc1c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)nn1C	ZINC000092047981	441766240	/nfs/dbraw/zinc/76/62/40/441766240.db2.gz	VWZHGMMLSSYXDJ-UHFFFAOYSA-N	1	2	345.403	1.968	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000080024968	534665059	/nfs/dbraw/zinc/66/50/59/534665059.db2.gz	VYPDGIDBGDJLPL-RISCZKNCSA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000080024968	534665063	/nfs/dbraw/zinc/66/50/63/534665063.db2.gz	VYPDGIDBGDJLPL-RISCZKNCSA-N	1	2	334.376	1.522	10	5		EDBELO
Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1	ZINC000173978098	231088795	/nfs/dbraw/zinc/08/87/95/231088795.db2.gz	TUSYSDORQBYPBO-GFCCVEGCSA-N	1	2	334.376	1.032	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000080024914	201250050	/nfs/dbraw/zinc/25/00/50/201250050.db2.gz	SSXHBVLCVGCFBK-CYBMUJFWSA-N	1	2	334.376	1.442	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1	ZINC000080024914	201250053	/nfs/dbraw/zinc/25/00/53/201250053.db2.gz	SSXHBVLCVGCFBK-CYBMUJFWSA-N	1	2	334.376	1.442	10	5		EDBELO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245833788	139087043	/nfs/dbraw/zinc/08/70/43/139087043.db2.gz	UHMOMJGDVVIVOW-IUODEOHRSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245833788	139087044	/nfs/dbraw/zinc/08/70/44/139087044.db2.gz	UHMOMJGDVVIVOW-IUODEOHRSA-N	1	2	344.375	1.850	10	5		EDBELO
Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000172017496	442399702	/nfs/dbraw/zinc/39/97/02/442399702.db2.gz	FISJOKFSIVHYHS-CYBMUJFWSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC000172017496	442399705	/nfs/dbraw/zinc/39/97/05/442399705.db2.gz	FISJOKFSIVHYHS-CYBMUJFWSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1	ZINC000173978086	534048668	/nfs/dbraw/zinc/04/86/68/534048668.db2.gz	TUSYSDORQBYPBO-LBPRGKRZSA-N	1	2	334.376	1.032	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173770941	534340476	/nfs/dbraw/zinc/34/04/76/534340476.db2.gz	IFPBLPFSUOAIAL-AWEZNQCLSA-N	1	2	334.376	1.842	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000105280412	204141246	/nfs/dbraw/zinc/14/12/46/204141246.db2.gz	IVZYMLLXYBGTQY-JTQLQIEISA-N	1	2	328.756	1.700	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000105280412	204141250	/nfs/dbraw/zinc/14/12/50/204141250.db2.gz	IVZYMLLXYBGTQY-JTQLQIEISA-N	1	2	328.756	1.700	10	5		EDBELO
O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000105890536	204177552	/nfs/dbraw/zinc/17/75/52/204177552.db2.gz	ROEUGXXANBYTGJ-AWEZNQCLSA-N	1	2	332.360	1.571	10	5		EDBELO
O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000105890536	204177556	/nfs/dbraw/zinc/17/75/56/204177556.db2.gz	ROEUGXXANBYTGJ-AWEZNQCLSA-N	1	2	332.360	1.571	10	5		EDBELO
CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000080280043	287305923	/nfs/dbraw/zinc/30/59/23/287305923.db2.gz	RMDNPNLCKWXDOS-UHFFFAOYSA-N	1	2	336.373	1.881	10	5		EDBELO
CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@@H+]1CCOC	ZINC000186632998	442578777	/nfs/dbraw/zinc/57/87/77/442578777.db2.gz	DEDABUDVXVHFFR-LBPRGKRZSA-N	1	2	337.376	1.483	10	5		EDBELO
CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC[N@H+]1CCOC	ZINC000186632998	442578781	/nfs/dbraw/zinc/57/87/81/442578781.db2.gz	DEDABUDVXVHFFR-LBPRGKRZSA-N	1	2	337.376	1.483	10	5		EDBELO
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184732046	443068745	/nfs/dbraw/zinc/06/87/45/443068745.db2.gz	PIETXUTXZSBIJX-FBIMIBRVSA-N	1	2	343.767	1.003	10	5		EDBELO
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184732046	443068750	/nfs/dbraw/zinc/06/87/50/443068750.db2.gz	PIETXUTXZSBIJX-FBIMIBRVSA-N	1	2	343.767	1.003	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000255103284	534582761	/nfs/dbraw/zinc/58/27/61/534582761.db2.gz	YDXWJXWIDQLKKC-DGCLKSJQSA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1	ZINC000255103284	534582767	/nfs/dbraw/zinc/58/27/67/534582767.db2.gz	YDXWJXWIDQLKKC-DGCLKSJQSA-N	1	2	334.376	1.522	10	5		EDBELO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1	ZINC000045816096	201104731	/nfs/dbraw/zinc/10/47/31/201104731.db2.gz	XCARLHIDPRHUTK-CYBMUJFWSA-N	1	2	325.390	1.454	10	5		EDBELO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1	ZINC000045816096	201104734	/nfs/dbraw/zinc/10/47/34/201104734.db2.gz	XCARLHIDPRHUTK-CYBMUJFWSA-N	1	2	325.390	1.454	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000117285529	285048269	/nfs/dbraw/zinc/04/82/69/285048269.db2.gz	YZJDXWSBWPCWRN-NSHDSACASA-N	1	2	325.340	1.527	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000117285529	285048270	/nfs/dbraw/zinc/04/82/70/285048270.db2.gz	YZJDXWSBWPCWRN-NSHDSACASA-N	1	2	325.340	1.527	10	5		EDBELO
CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)nc[nH+]1	ZINC000173428982	277302028	/nfs/dbraw/zinc/30/20/28/277302028.db2.gz	FRYALHAXKQFZEA-SNVBAGLBSA-N	1	2	346.347	1.418	10	5		EDBELO
CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)[nH+]cn1	ZINC000173428982	277302030	/nfs/dbraw/zinc/30/20/30/277302030.db2.gz	FRYALHAXKQFZEA-SNVBAGLBSA-N	1	2	346.347	1.418	10	5		EDBELO
COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])cc1F	ZINC000184223624	443003921	/nfs/dbraw/zinc/00/39/21/443003921.db2.gz	GJACKEVXISYSGR-CYBMUJFWSA-N	1	2	339.367	1.649	10	5		EDBELO
COc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])cc1F	ZINC000184223624	443003923	/nfs/dbraw/zinc/00/39/23/443003923.db2.gz	GJACKEVXISYSGR-CYBMUJFWSA-N	1	2	339.367	1.649	10	5		EDBELO
COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F	ZINC000184223624	443003926	/nfs/dbraw/zinc/00/39/26/443003926.db2.gz	GJACKEVXISYSGR-CYBMUJFWSA-N	1	2	339.367	1.649	10	5		EDBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1[NH+]1CCOCC1	ZINC000184829329	443083184	/nfs/dbraw/zinc/08/31/84/443083184.db2.gz	UTTGYGWASNZBNU-RISCZKNCSA-N	1	2	335.360	1.093	10	5		EDBELO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173853537	231052502	/nfs/dbraw/zinc/05/25/02/231052502.db2.gz	PAZVHGMIPZXZFT-IAQYHMDHSA-N	1	2	334.376	1.091	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173994100	231093131	/nfs/dbraw/zinc/09/31/31/231093131.db2.gz	SQELQDYEVHMSAT-HNNXBMFYSA-N	1	2	348.403	1.248	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173994100	231093133	/nfs/dbraw/zinc/09/31/33/231093133.db2.gz	SQELQDYEVHMSAT-HNNXBMFYSA-N	1	2	348.403	1.248	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173994100	231093136	/nfs/dbraw/zinc/09/31/36/231093136.db2.gz	SQELQDYEVHMSAT-HNNXBMFYSA-N	1	2	348.403	1.248	10	5		EDBELO
CCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000174336706	529599598	/nfs/dbraw/zinc/59/95/98/529599598.db2.gz	AMAMLEQJBUTRKV-OAHLLOKOSA-N	1	2	333.388	1.704	10	5		EDBELO
Cn1c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CC1	ZINC000072665151	287255496	/nfs/dbraw/zinc/25/54/96/287255496.db2.gz	ZAVZXYTWZYLMAW-GFCCVEGCSA-N	1	2	343.391	1.682	10	5		EDBELO
Cn1c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nnc1C1CC1	ZINC000072665151	287255497	/nfs/dbraw/zinc/25/54/97/287255497.db2.gz	ZAVZXYTWZYLMAW-GFCCVEGCSA-N	1	2	343.391	1.682	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000171289253	442339059	/nfs/dbraw/zinc/33/90/59/442339059.db2.gz	PWVCSCKUZKXTNJ-GFCCVEGCSA-N	1	2	335.385	1.870	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000171289253	442339061	/nfs/dbraw/zinc/33/90/61/442339061.db2.gz	PWVCSCKUZKXTNJ-GFCCVEGCSA-N	1	2	335.385	1.870	10	5		EDBELO
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C2	ZINC000193579726	442755993	/nfs/dbraw/zinc/75/59/93/442755993.db2.gz	SKRJHFYROGFXMK-UHFFFAOYSA-N	1	2	345.359	1.751	10	5		EDBELO
COc1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1C	ZINC000188466042	442753558	/nfs/dbraw/zinc/75/35/58/442753558.db2.gz	PJNDJJDIWSNXLN-NSHDSACASA-N	1	2	337.376	1.362	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1[NH+]1CCOCC1	ZINC000184829350	443082806	/nfs/dbraw/zinc/08/28/06/443082806.db2.gz	UTTGYGWASNZBNU-FZMZJTMJSA-N	1	2	335.360	1.093	10	5		EDBELO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](C)O)CC1	ZINC000111285739	138308206	/nfs/dbraw/zinc/30/82/06/138308206.db2.gz	KRJYMYJLSHLDEU-NSHDSACASA-N	1	2	337.376	1.635	10	5		EDBELO
C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000134584090	442497608	/nfs/dbraw/zinc/49/76/08/442497608.db2.gz	DGDDNNBUSMIKSH-JTQLQIEISA-N	1	2	327.768	1.699	10	5		EDBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCOCC1	ZINC000173971534	534424750	/nfs/dbraw/zinc/42/47/50/534424750.db2.gz	OENSLVXEBRRVIM-IAQYHMDHSA-N	1	2	337.351	1.527	10	5		EDBELO
CCCNc1ncnc(N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-]	ZINC000040597145	535206090	/nfs/dbraw/zinc/20/60/90/535206090.db2.gz	QNWYZCLSMAJVAW-UHFFFAOYSA-N	1	2	343.391	1.928	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000130847564	529784250	/nfs/dbraw/zinc/78/42/50/529784250.db2.gz	JDZAWOUZMOXYEQ-NSHDSACASA-N	1	2	330.344	1.203	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	ZINC000130847564	529784252	/nfs/dbraw/zinc/78/42/52/529784252.db2.gz	JDZAWOUZMOXYEQ-NSHDSACASA-N	1	2	330.344	1.203	10	5		EDBELO
Cc1cccnc1Nc1[nH]cnc(=NN2CC[NH+](C)CC2)c1[N+](=O)[O-]	ZINC000040623455	213359553	/nfs/dbraw/zinc/35/95/53/213359553.db2.gz	ZMTIBQAVLFPFLL-UHFFFAOYSA-N	1	2	344.379	1.406	10	5		EDBELO
Cc1cnn(C[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105892750	441309930	/nfs/dbraw/zinc/30/99/30/441309930.db2.gz	TTYNAFGHRFAPMR-OAHLLOKOSA-N	1	2	346.387	1.880	10	5		EDBELO
Cc1cnn(C[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105892750	441309934	/nfs/dbraw/zinc/30/99/34/441309934.db2.gz	TTYNAFGHRFAPMR-OAHLLOKOSA-N	1	2	346.387	1.880	10	5		EDBELO
Cc1cccc(Nc2[nH]cnc(=NN3CC[NH+](C)CC3)c2[N+](=O)[O-])n1	ZINC000040584634	213355766	/nfs/dbraw/zinc/35/57/66/213355766.db2.gz	AVDWOTADYAWEBY-UHFFFAOYSA-N	1	2	344.379	1.406	10	5		EDBELO
CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000080279947	287305947	/nfs/dbraw/zinc/30/59/47/287305947.db2.gz	ZXTQIZKVAWOSFB-UHFFFAOYSA-N	1	2	342.402	1.942	10	5		EDBELO
C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000136361202	442661054	/nfs/dbraw/zinc/66/10/54/442661054.db2.gz	PONRDYWHVQOYNB-JTQLQIEISA-N	1	2	327.768	1.699	10	5		EDBELO
C[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F	ZINC000184807270	443079625	/nfs/dbraw/zinc/07/96/25/443079625.db2.gz	HLCOBGGEVTVHQM-NWDGAFQWSA-N	1	2	339.367	1.674	10	5		EDBELO
CCn1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cn1	ZINC000190819572	443189734	/nfs/dbraw/zinc/18/97/34/443189734.db2.gz	AUFCTJXKAGGAEY-HNNXBMFYSA-N	1	2	347.375	1.046	10	5		EDBELO
CCn1cc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cn1	ZINC000190819572	443189737	/nfs/dbraw/zinc/18/97/37/443189737.db2.gz	AUFCTJXKAGGAEY-HNNXBMFYSA-N	1	2	347.375	1.046	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173849593	534333562	/nfs/dbraw/zinc/33/35/62/534333562.db2.gz	KQXDXPXQPPURMG-XJKSGUPXSA-N	1	2	333.388	1.696	10	5		EDBELO
COc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)O)CC2)c([N+](=O)[O-])c1	ZINC000111288204	138308516	/nfs/dbraw/zinc/30/85/16/138308516.db2.gz	QGCANWOJCWYVFV-LLVKDONJSA-N	1	2	337.376	1.635	10	5		EDBELO
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCOCC1	ZINC000136361763	442660859	/nfs/dbraw/zinc/66/08/59/442660859.db2.gz	VNNXWOJFRWHXKF-SNVBAGLBSA-N	1	2	327.768	1.699	10	5		EDBELO
CC(C)(C)n1cc(C[NH+]2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)cn1	ZINC000113924727	595906648	/nfs/dbraw/zinc/90/66/48/595906648.db2.gz	FDNXJWSKRBBYFW-UHFFFAOYSA-N	1	2	347.423	1.518	10	5		EDBELO
C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1[NH+]1CCOCC1	ZINC000246452702	139109046	/nfs/dbraw/zinc/10/90/46/139109046.db2.gz	MVIPHFJUDPTBTO-SWLSCSKDSA-N	1	2	346.387	1.889	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000171289263	442338977	/nfs/dbraw/zinc/33/89/77/442338977.db2.gz	PWVCSCKUZKXTNJ-LBPRGKRZSA-N	1	2	335.385	1.870	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1	ZINC000171289263	442338978	/nfs/dbraw/zinc/33/89/78/442338978.db2.gz	PWVCSCKUZKXTNJ-LBPRGKRZSA-N	1	2	335.385	1.870	10	5		EDBELO
O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1	ZINC000174839134	534889043	/nfs/dbraw/zinc/88/90/43/534889043.db2.gz	VMBOQCRDSMNJIJ-AWEZNQCLSA-N	1	2	345.407	1.946	10	5		EDBELO
O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1	ZINC000174839134	534889045	/nfs/dbraw/zinc/88/90/45/534889045.db2.gz	VMBOQCRDSMNJIJ-AWEZNQCLSA-N	1	2	345.407	1.946	10	5		EDBELO
Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000173960112	231081922	/nfs/dbraw/zinc/08/19/22/231081922.db2.gz	DMWPOMUWFNAZRU-CJNGLKHVSA-N	1	2	333.388	1.696	10	5		EDBELO
Cc1cc(Br)c(NC(=O)[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000169239389	226234723	/nfs/dbraw/zinc/23/47/23/226234723.db2.gz	NMGLJJBWXSFTJA-JTQLQIEISA-N	1	2	344.165	1.593	10	5		EDBELO
O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000105816842	441276813	/nfs/dbraw/zinc/27/68/13/441276813.db2.gz	FLCPSVADNRBZKY-UHFFFAOYSA-N	1	2	339.359	1.355	10	5		EDBELO
CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000175270983	442029867	/nfs/dbraw/zinc/02/98/67/442029867.db2.gz	REFONJMXCZNBFF-MRXNPFEDSA-N	1	2	335.404	1.900	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)n1	ZINC000176223685	442195005	/nfs/dbraw/zinc/19/50/05/442195005.db2.gz	HIZYIIZTYUMLCZ-CYBMUJFWSA-N	1	2	345.407	1.946	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)n1	ZINC000176223685	442195009	/nfs/dbraw/zinc/19/50/09/442195009.db2.gz	HIZYIIZTYUMLCZ-CYBMUJFWSA-N	1	2	345.407	1.946	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1	ZINC000121267677	442197499	/nfs/dbraw/zinc/19/74/99/442197499.db2.gz	LZGDMDFCNWAHMN-SMDDNHRTSA-N	1	2	338.314	1.877	10	5		EDBELO
O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1	ZINC000121267677	442197506	/nfs/dbraw/zinc/19/75/06/442197506.db2.gz	LZGDMDFCNWAHMN-SMDDNHRTSA-N	1	2	338.314	1.877	10	5		EDBELO
CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H]2CO)nc[nH+]1	ZINC000247099044	139135613	/nfs/dbraw/zinc/13/56/13/139135613.db2.gz	IDUCAFDTYPUHAB-AWEZNQCLSA-N	1	2	343.387	1.982	10	5		EDBELO
CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H]2CO)[nH+]cn1	ZINC000247099044	139135614	/nfs/dbraw/zinc/13/56/14/139135614.db2.gz	IDUCAFDTYPUHAB-AWEZNQCLSA-N	1	2	343.387	1.982	10	5		EDBELO
CS(=O)(=O)c1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-]	ZINC000123915661	222351292	/nfs/dbraw/zinc/35/12/92/222351292.db2.gz	QSSQUNMVVSPNJA-UHFFFAOYSA-N	1	2	339.417	1.530	10	5		EDBELO
CC[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142403	442181897	/nfs/dbraw/zinc/18/18/97/442181897.db2.gz	RYQSBNDSRZJKDR-GJZGRUSLSA-N	1	2	336.392	1.676	10	5		EDBELO
CC[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142403	442181901	/nfs/dbraw/zinc/18/19/01/442181901.db2.gz	RYQSBNDSRZJKDR-GJZGRUSLSA-N	1	2	336.392	1.676	10	5		EDBELO
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1	ZINC000194624394	442926453	/nfs/dbraw/zinc/92/64/53/442926453.db2.gz	OTDLQHSBUPRCSG-JTQLQIEISA-N	1	2	325.390	1.377	10	5		EDBELO
CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1	ZINC000194624394	442926457	/nfs/dbraw/zinc/92/64/57/442926457.db2.gz	OTDLQHSBUPRCSG-JTQLQIEISA-N	1	2	325.390	1.377	10	5		EDBELO
CCn1cc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cn1	ZINC000190819590	443189148	/nfs/dbraw/zinc/18/91/48/443189148.db2.gz	AUFCTJXKAGGAEY-OAHLLOKOSA-N	1	2	347.375	1.046	10	5		EDBELO
CCn1cc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CCO2)cn1	ZINC000190819590	443189152	/nfs/dbraw/zinc/18/91/52/443189152.db2.gz	AUFCTJXKAGGAEY-OAHLLOKOSA-N	1	2	347.375	1.046	10	5		EDBELO
C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000173973510	231086676	/nfs/dbraw/zinc/08/66/76/231086676.db2.gz	ZZKYDVDDCNEPGE-NHYWBVRUSA-N	1	2	337.351	1.527	10	5		EDBELO
C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000183556223	235138435	/nfs/dbraw/zinc/13/84/35/235138435.db2.gz	IIVPVMMOFFAIRF-FZMZJTMJSA-N	1	2	335.364	1.174	10	5		EDBELO
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCO1	ZINC000126721005	138338480	/nfs/dbraw/zinc/33/84/80/138338480.db2.gz	KHKGEOITEZMDRQ-LBPRGKRZSA-N	1	2	339.417	1.767	10	5		EDBELO
CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000126721005	138338481	/nfs/dbraw/zinc/33/84/81/138338481.db2.gz	KHKGEOITEZMDRQ-LBPRGKRZSA-N	1	2	339.417	1.767	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000123428775	222276461	/nfs/dbraw/zinc/27/64/61/222276461.db2.gz	XFJUUGOWDQSLMY-QMMMGPOBSA-N	1	2	331.170	1.495	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000123428775	222276465	/nfs/dbraw/zinc/27/64/65/222276465.db2.gz	XFJUUGOWDQSLMY-QMMMGPOBSA-N	1	2	331.170	1.495	10	5		EDBELO
C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1	ZINC000183556239	534365090	/nfs/dbraw/zinc/36/50/90/534365090.db2.gz	IIVPVMMOFFAIRF-BXUZGUMPSA-N	1	2	335.364	1.174	10	5		EDBELO
O=C(Nc1cc([N+](=O)[O-])ccc1Br)[C@H]1COCC[NH2+]1	ZINC000159455971	225222494	/nfs/dbraw/zinc/22/24/94/225222494.db2.gz	PUCDLHNQANWBGR-SNVBAGLBSA-N	1	2	330.138	1.284	10	5		EDBELO
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000193881439	442805261	/nfs/dbraw/zinc/80/52/61/442805261.db2.gz	JMZUABULAHUPSV-CYBMUJFWSA-N	1	2	325.390	1.454	10	5		EDBELO
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1	ZINC000193881439	442805263	/nfs/dbraw/zinc/80/52/63/442805263.db2.gz	JMZUABULAHUPSV-CYBMUJFWSA-N	1	2	325.390	1.454	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000246332427	139104465	/nfs/dbraw/zinc/10/44/65/139104465.db2.gz	DULPDYREKZRRPS-XJKSGUPXSA-N	1	2	335.404	1.756	10	5		EDBELO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(F)c1	ZINC000249780282	139198577	/nfs/dbraw/zinc/19/85/77/139198577.db2.gz	YRRUGAJFLICCCN-LBPRGKRZSA-N	1	2	343.380	1.593	10	5		EDBELO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(F)c1	ZINC000249780282	139198578	/nfs/dbraw/zinc/19/85/78/139198578.db2.gz	YRRUGAJFLICCCN-LBPRGKRZSA-N	1	2	343.380	1.593	10	5		EDBELO
C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1	ZINC000054647187	287227005	/nfs/dbraw/zinc/22/70/05/287227005.db2.gz	HEZQYXKDJWJAJE-ZDUSSCGKSA-N	1	2	336.392	1.157	10	5		EDBELO
CC(C)c1nnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C	ZINC000173474572	441763535	/nfs/dbraw/zinc/76/35/35/441763535.db2.gz	JWCPPWHPKCJUQZ-LBPRGKRZSA-N	1	2	345.407	1.928	10	5		EDBELO
CC(C)c1nnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1C	ZINC000173474572	441763541	/nfs/dbraw/zinc/76/35/41/441763541.db2.gz	JWCPPWHPKCJUQZ-LBPRGKRZSA-N	1	2	345.407	1.928	10	5		EDBELO
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000151800154	442122320	/nfs/dbraw/zinc/12/23/20/442122320.db2.gz	QLGXASMCKXQVCK-OAHLLOKOSA-N	1	2	339.417	1.595	10	5		EDBELO
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1	ZINC000151800154	442122324	/nfs/dbraw/zinc/12/23/24/442122324.db2.gz	QLGXASMCKXQVCK-OAHLLOKOSA-N	1	2	339.417	1.595	10	5		EDBELO
COc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173968080	533316270	/nfs/dbraw/zinc/31/62/70/533316270.db2.gz	YRMWVIQTCZAYTK-IUODEOHRSA-N	1	2	349.387	1.396	10	5		EDBELO
NNc1cc[nH+]c(Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1	ZINC000165425000	226123330	/nfs/dbraw/zinc/12/33/30/226123330.db2.gz	PUTOUNQLUDPJBA-UHFFFAOYSA-N	1	2	340.137	1.248	10	5		EDBELO
COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1	ZINC000172750253	442533483	/nfs/dbraw/zinc/53/34/83/442533483.db2.gz	SWYNHVJQHLRQMQ-LBPRGKRZSA-N	1	2	335.360	1.150	10	5		EDBELO
O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1	ZINC000192451299	442647606	/nfs/dbraw/zinc/64/76/06/442647606.db2.gz	FPZCQVSSIKPHBX-ZDUSSCGKSA-N	1	2	334.401	1.907	10	5		EDBELO
CCc1n[nH]c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-]	ZINC000192683807	442676283	/nfs/dbraw/zinc/67/62/83/442676283.db2.gz	UFCDMCZYGSPIPZ-LLVKDONJSA-N	1	2	332.364	1.690	10	5		EDBELO
CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-]	ZINC000192683807	442676286	/nfs/dbraw/zinc/67/62/86/442676286.db2.gz	UFCDMCZYGSPIPZ-LLVKDONJSA-N	1	2	332.364	1.690	10	5		EDBELO
C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1	ZINC000184807287	443079200	/nfs/dbraw/zinc/07/92/00/443079200.db2.gz	HLCOBGGEVTVHQM-VXGBXAGGSA-N	1	2	339.367	1.674	10	5		EDBELO
CN(C[C@H]1C[N@H+](C)CCO1)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000610769768	450329194	/nfs/dbraw/zinc/32/91/94/450329194.db2.gz	XPVSTMYZJYUCQI-SNVBAGLBSA-N	1	2	345.197	1.519	10	5		EDBELO
CN(C[C@H]1C[N@@H+](C)CCO1)c1ncc(Br)cc1[N+](=O)[O-]	ZINC000610769768	450329200	/nfs/dbraw/zinc/32/92/00/450329200.db2.gz	XPVSTMYZJYUCQI-SNVBAGLBSA-N	1	2	345.197	1.519	10	5		EDBELO
Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000173770869	231029058	/nfs/dbraw/zinc/02/90/58/231029058.db2.gz	SIRVTEIZUHVVAV-CQSZACIVSA-N	1	2	334.376	1.842	10	5		EDBELO
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCOCC1	ZINC000173967895	441871626	/nfs/dbraw/zinc/87/16/26/441871626.db2.gz	SGEXHXANMRQOII-XJKSGUPXSA-N	1	2	349.387	1.153	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@H]1C	ZINC000172295551	442437406	/nfs/dbraw/zinc/43/74/06/442437406.db2.gz	ZNPRVUMWORESKF-LLVKDONJSA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@H]1C	ZINC000172295551	442437408	/nfs/dbraw/zinc/43/74/08/442437408.db2.gz	ZNPRVUMWORESKF-LLVKDONJSA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@H]1C	ZINC000172295551	442437409	/nfs/dbraw/zinc/43/74/09/442437409.db2.gz	ZNPRVUMWORESKF-LLVKDONJSA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@H]1C	ZINC000172295551	442437412	/nfs/dbraw/zinc/43/74/12/442437412.db2.gz	ZNPRVUMWORESKF-LLVKDONJSA-N	1	2	339.396	1.063	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000172757630	442536056	/nfs/dbraw/zinc/53/60/56/442536056.db2.gz	OCTHANQRYJNUDD-ZDUSSCGKSA-N	1	2	335.360	1.150	10	5		EDBELO
O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c2c(c1)COCO2	ZINC000171615527	227174398	/nfs/dbraw/zinc/17/43/98/227174398.db2.gz	KXGLQJMKNWUFLY-AWEZNQCLSA-N	1	2	345.359	1.890	10	5		EDBELO
O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c2c(c1)COCO2	ZINC000171615527	227174404	/nfs/dbraw/zinc/17/44/04/227174404.db2.gz	KXGLQJMKNWUFLY-AWEZNQCLSA-N	1	2	345.359	1.890	10	5		EDBELO
Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000108945674	441482016	/nfs/dbraw/zinc/48/20/16/441482016.db2.gz	PPIXKWKUILYHNN-LLVKDONJSA-N	1	2	340.336	1.046	10	5		EDBELO
Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000108945674	441482019	/nfs/dbraw/zinc/48/20/19/441482019.db2.gz	PPIXKWKUILYHNN-LLVKDONJSA-N	1	2	340.336	1.046	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1	ZINC000121683543	441758606	/nfs/dbraw/zinc/75/86/06/441758606.db2.gz	NLCQIKSNULCWPZ-OAHLLOKOSA-N	1	2	348.403	1.599	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1	ZINC000121683543	441758614	/nfs/dbraw/zinc/75/86/14/441758614.db2.gz	NLCQIKSNULCWPZ-OAHLLOKOSA-N	1	2	348.403	1.599	10	5		EDBELO
CNC(=O)[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C	ZINC000183669310	442951923	/nfs/dbraw/zinc/95/19/23/442951923.db2.gz	MEXQJMLSTUONOC-CYBMUJFWSA-N	1	2	333.348	1.505	10	5		EDBELO
Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cccc1[N+](=O)[O-]	ZINC000173881572	533771606	/nfs/dbraw/zinc/77/16/06/533771606.db2.gz	MFABTKAHJMNDHQ-MLGOLLRUSA-N	1	2	333.388	1.696	10	5		EDBELO
C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1	ZINC000173973501	534404207	/nfs/dbraw/zinc/40/42/07/534404207.db2.gz	ZZKYDVDDCNEPGE-ABAIWWIYSA-N	1	2	337.351	1.527	10	5		EDBELO
C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1	ZINC000117753664	221086027	/nfs/dbraw/zinc/08/60/27/221086027.db2.gz	QNVDKHZQCSZNJB-NSHDSACASA-N	1	2	341.795	1.628	10	5		EDBELO
CS(=O)(=O)c1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-]	ZINC000124232378	222396160	/nfs/dbraw/zinc/39/61/60/222396160.db2.gz	XVPGKLCKVPUQGD-UHFFFAOYSA-N	1	2	325.390	1.283	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173888149	441856379	/nfs/dbraw/zinc/85/63/79/441856379.db2.gz	ACITVSDUBNLJPP-CZUORRHYSA-N	1	2	333.388	1.696	10	5		EDBELO
O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173790374	534462940	/nfs/dbraw/zinc/46/29/40/534462940.db2.gz	KTFDKAIFKWILAU-INIZCTEOSA-N	1	2	348.403	1.253	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000080024965	534664642	/nfs/dbraw/zinc/66/46/42/534664642.db2.gz	VYPDGIDBGDJLPL-FZMZJTMJSA-N	1	2	334.376	1.522	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	ZINC000080024965	534664645	/nfs/dbraw/zinc/66/46/45/534664645.db2.gz	VYPDGIDBGDJLPL-FZMZJTMJSA-N	1	2	334.376	1.522	10	5		EDBELO
Cc1nn(CN2CC[C@H]([NH+]3CCOCC3)C2)c2cc([N+](=O)[O-])ccc12	ZINC000121225648	596337989	/nfs/dbraw/zinc/33/79/89/596337989.db2.gz	FDWJDKBKLKARQX-HNNXBMFYSA-N	1	2	345.403	1.617	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000181167210	529789628	/nfs/dbraw/zinc/78/96/28/529789628.db2.gz	IBBPFBSOZYMZNX-SNVBAGLBSA-N	1	2	345.302	1.257	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000181167210	529789629	/nfs/dbraw/zinc/78/96/29/529789629.db2.gz	IBBPFBSOZYMZNX-SNVBAGLBSA-N	1	2	345.302	1.257	10	5		EDBELO
C[NH+]1CCN(N=c2nc[nH]c(Nc3cccnc3)c2[N+](=O)[O-])CC1	ZINC000040623473	213359116	/nfs/dbraw/zinc/35/91/16/213359116.db2.gz	AAPJKWFJLWSLHE-UHFFFAOYSA-N	1	2	330.352	1.098	10	5		EDBELO
CN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000171617757	227173833	/nfs/dbraw/zinc/17/38/33/227173833.db2.gz	XZJDZIHEOOJGIQ-OAHLLOKOSA-N	1	2	344.375	1.486	10	5		EDBELO
CN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000171617757	227173838	/nfs/dbraw/zinc/17/38/38/227173838.db2.gz	XZJDZIHEOOJGIQ-OAHLLOKOSA-N	1	2	344.375	1.486	10	5		EDBELO
O=C1CCc2cc([N+](=O)[O-])c(N3CC[C@H]([NH+]4CCOCC4)C3)cc2N1	ZINC000173975953	280261997	/nfs/dbraw/zinc/26/19/97/280261997.db2.gz	IFAADYGHTHQVNC-ZDUSSCGKSA-N	1	2	346.387	1.390	10	5		EDBELO
Cc1nnc([C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000154376472	442335901	/nfs/dbraw/zinc/33/59/01/442335901.db2.gz	BLVGQSOHCZVIRH-UONOGXRCSA-N	1	2	333.348	1.128	10	5		EDBELO
Cc1nnc([C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000154376472	442335903	/nfs/dbraw/zinc/33/59/03/442335903.db2.gz	BLVGQSOHCZVIRH-UONOGXRCSA-N	1	2	333.348	1.128	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173849603	534333761	/nfs/dbraw/zinc/33/37/61/534333761.db2.gz	KQXDXPXQPPURMG-CZUORRHYSA-N	1	2	333.388	1.696	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1	ZINC000077169706	534662635	/nfs/dbraw/zinc/66/26/35/534662635.db2.gz	YQXHLFQMEOSPFY-ZDUSSCGKSA-N	1	2	334.376	1.442	10	5		EDBELO
CC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1	ZINC000077169706	534662639	/nfs/dbraw/zinc/66/26/39/534662639.db2.gz	YQXHLFQMEOSPFY-ZDUSSCGKSA-N	1	2	334.376	1.442	10	5		EDBELO
CCc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000174336692	529599674	/nfs/dbraw/zinc/59/96/74/529599674.db2.gz	AMAMLEQJBUTRKV-HNNXBMFYSA-N	1	2	333.388	1.704	10	5		EDBELO
Cc1cc(C)n(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1	ZINC000062153925	214703217	/nfs/dbraw/zinc/70/32/17/214703217.db2.gz	RDAKUJGMBAYHMG-UHFFFAOYSA-N	1	2	347.375	1.459	10	5		EDBELO
Cc1nnc([C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000246205041	139099140	/nfs/dbraw/zinc/09/91/40/139099140.db2.gz	BLVGQSOHCZVIRH-ZIAGYGMSSA-N	1	2	333.348	1.128	10	5		EDBELO
Cc1nnc([C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)[nH]1	ZINC000246205041	139099141	/nfs/dbraw/zinc/09/91/41/139099141.db2.gz	BLVGQSOHCZVIRH-ZIAGYGMSSA-N	1	2	333.348	1.128	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C	ZINC000117275419	221042696	/nfs/dbraw/zinc/04/26/96/221042696.db2.gz	FWUSHNBYIAACSL-LLVKDONJSA-N	1	2	327.406	1.839	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C	ZINC000117275419	221042700	/nfs/dbraw/zinc/04/27/00/221042700.db2.gz	FWUSHNBYIAACSL-LLVKDONJSA-N	1	2	327.406	1.839	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000105280409	441246977	/nfs/dbraw/zinc/24/69/77/441246977.db2.gz	IVZYMLLXYBGTQY-SNVBAGLBSA-N	1	2	328.756	1.700	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1	ZINC000105280409	441246979	/nfs/dbraw/zinc/24/69/79/441246979.db2.gz	IVZYMLLXYBGTQY-SNVBAGLBSA-N	1	2	328.756	1.700	10	5		EDBELO
COC(=O)[C@@H]1C[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1	ZINC000098089495	219083079	/nfs/dbraw/zinc/08/30/79/219083079.db2.gz	GHSFTHKMRDWNNK-BDAKNGLRSA-N	1	2	345.149	1.640	10	5		EDBELO
Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000108945675	441482314	/nfs/dbraw/zinc/48/23/14/441482314.db2.gz	PPIXKWKUILYHNN-NSHDSACASA-N	1	2	340.336	1.046	10	5		EDBELO
Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000108945675	441482316	/nfs/dbraw/zinc/48/23/16/441482316.db2.gz	PPIXKWKUILYHNN-NSHDSACASA-N	1	2	340.336	1.046	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000171615790	442362865	/nfs/dbraw/zinc/36/28/65/442362865.db2.gz	LPQFRWBYBBRQOR-CQSZACIVSA-N	1	2	344.375	1.770	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000171615790	442362869	/nfs/dbraw/zinc/36/28/69/442362869.db2.gz	LPQFRWBYBBRQOR-CQSZACIVSA-N	1	2	344.375	1.770	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@@H]1C	ZINC000172295554	442437195	/nfs/dbraw/zinc/43/71/95/442437195.db2.gz	ZNPRVUMWORESKF-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C[C@@H]1C	ZINC000172295554	442437198	/nfs/dbraw/zinc/43/71/98/442437198.db2.gz	ZNPRVUMWORESKF-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@@H]1C	ZINC000172295554	442437201	/nfs/dbraw/zinc/43/72/01/442437201.db2.gz	ZNPRVUMWORESKF-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C[C@@H]1C	ZINC000172295554	442437205	/nfs/dbraw/zinc/43/72/05/442437205.db2.gz	ZNPRVUMWORESKF-NSHDSACASA-N	1	2	339.396	1.063	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C	ZINC000117281128	221040863	/nfs/dbraw/zinc/04/08/63/221040863.db2.gz	LUCZXQGTBYYVEX-GFCCVEGCSA-N	1	2	336.392	1.481	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)C[C@H]1C	ZINC000117281128	221040867	/nfs/dbraw/zinc/04/08/67/221040867.db2.gz	LUCZXQGTBYYVEX-GFCCVEGCSA-N	1	2	336.392	1.481	10	5		EDBELO
CCn1c(C)nnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467873	441760592	/nfs/dbraw/zinc/76/05/92/441760592.db2.gz	SGPCPNYYURDEOH-GFCCVEGCSA-N	1	2	331.380	1.596	10	5		EDBELO
CCn1c(C)nnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467873	441760597	/nfs/dbraw/zinc/76/05/97/441760597.db2.gz	SGPCPNYYURDEOH-GFCCVEGCSA-N	1	2	331.380	1.596	10	5		EDBELO
CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCOCC2)C1	ZINC000175270957	442030912	/nfs/dbraw/zinc/03/09/12/442030912.db2.gz	REFONJMXCZNBFF-INIZCTEOSA-N	1	2	335.404	1.900	10	5		EDBELO
Cc1ncc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)s1	ZINC000176232188	442196641	/nfs/dbraw/zinc/19/66/41/442196641.db2.gz	VFOUBNDRMOMSNI-UHFFFAOYSA-N	1	2	336.421	1.374	10	5		EDBELO
Cc1ncc(CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)s1	ZINC000176232188	442196643	/nfs/dbraw/zinc/19/66/43/442196643.db2.gz	VFOUBNDRMOMSNI-UHFFFAOYSA-N	1	2	336.421	1.374	10	5		EDBELO
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000172765514	442537901	/nfs/dbraw/zinc/53/79/01/442537901.db2.gz	NJPWCRVLNZUFMH-LBPRGKRZSA-N	1	2	339.779	1.795	10	5		EDBELO
C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156593	443149686	/nfs/dbraw/zinc/14/96/86/443149686.db2.gz	QFRIZXJQCPFYIN-ZYHUDNBSSA-N	1	2	325.340	1.284	10	5		EDBELO
C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1F	ZINC000185156593	443149690	/nfs/dbraw/zinc/14/96/90/443149690.db2.gz	QFRIZXJQCPFYIN-ZYHUDNBSSA-N	1	2	325.340	1.284	10	5		EDBELO
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1	ZINC000122831695	222167885	/nfs/dbraw/zinc/16/78/85/222167885.db2.gz	LJIAGFWPRKOLHC-LBPRGKRZSA-N	1	2	344.371	1.594	10	5		EDBELO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000249745119	302043976	/nfs/dbraw/zinc/04/39/76/302043976.db2.gz	BREMWYGAWOHSJA-ZDUSSCGKSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000249745119	302043977	/nfs/dbraw/zinc/04/39/77/302043977.db2.gz	BREMWYGAWOHSJA-ZDUSSCGKSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1nnc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1	ZINC000173654964	441816216	/nfs/dbraw/zinc/81/62/16/441816216.db2.gz	UWWLWUJRGJYZCC-AWEZNQCLSA-N	1	2	333.348	1.474	10	5		EDBELO
Cc1nnc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)[nH]1	ZINC000173654964	441816218	/nfs/dbraw/zinc/81/62/18/441816218.db2.gz	UWWLWUJRGJYZCC-AWEZNQCLSA-N	1	2	333.348	1.474	10	5		EDBELO
Cc1ncc(C[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)s1	ZINC000174848852	441975801	/nfs/dbraw/zinc/97/58/01/441975801.db2.gz	UEHLXNPNYLFLTL-UHFFFAOYSA-N	1	2	336.421	1.374	10	5		EDBELO
Cc1ncc(CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)s1	ZINC000174848852	441975804	/nfs/dbraw/zinc/97/58/04/441975804.db2.gz	UEHLXNPNYLFLTL-UHFFFAOYSA-N	1	2	336.421	1.374	10	5		EDBELO
CCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cn1	ZINC000192451488	442647632	/nfs/dbraw/zinc/64/76/32/442647632.db2.gz	RCLCLSVFTFWNRI-UHFFFAOYSA-N	1	2	336.421	1.980	10	5		EDBELO
CCn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cn1	ZINC000192451488	442647635	/nfs/dbraw/zinc/64/76/35/442647635.db2.gz	RCLCLSVFTFWNRI-UHFFFAOYSA-N	1	2	336.421	1.980	10	5		EDBELO
O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000105890289	441309330	/nfs/dbraw/zinc/30/93/30/441309330.db2.gz	MXSFRHHAEMFMGV-MRXNPFEDSA-N	1	2	332.360	1.571	10	5		EDBELO
O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000105890289	441309331	/nfs/dbraw/zinc/30/93/31/441309331.db2.gz	MXSFRHHAEMFMGV-MRXNPFEDSA-N	1	2	332.360	1.571	10	5		EDBELO
Cc1cnn(C[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105892748	441310197	/nfs/dbraw/zinc/31/01/97/441310197.db2.gz	TTYNAFGHRFAPMR-HNNXBMFYSA-N	1	2	346.387	1.880	10	5		EDBELO
Cc1cnn(C[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)c1	ZINC000105892748	441310201	/nfs/dbraw/zinc/31/02/01/441310201.db2.gz	TTYNAFGHRFAPMR-HNNXBMFYSA-N	1	2	346.387	1.880	10	5		EDBELO
C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173967867	441871654	/nfs/dbraw/zinc/87/16/54/441871654.db2.gz	SGEXHXANMRQOII-BBRMVZONSA-N	1	2	349.387	1.153	10	5		EDBELO
COC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000192536168	442659764	/nfs/dbraw/zinc/65/97/64/442659764.db2.gz	FZKQXCDWUOEQKN-CYBMUJFWSA-N	1	2	344.327	1.558	10	5		EDBELO
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1	ZINC000184716157	443065113	/nfs/dbraw/zinc/06/51/13/443065113.db2.gz	FWEZRVWILKMYFZ-GOEBONIOSA-N	1	2	335.404	1.610	10	5		EDBELO
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000184716157	443065114	/nfs/dbraw/zinc/06/51/14/443065114.db2.gz	FWEZRVWILKMYFZ-GOEBONIOSA-N	1	2	335.404	1.610	10	5		EDBELO
CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000101564273	219138448	/nfs/dbraw/zinc/13/84/48/219138448.db2.gz	UFOCRSYSWXVXLA-CQSZACIVSA-N	1	2	348.403	1.574	10	5		EDBELO
CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000101564273	219138450	/nfs/dbraw/zinc/13/84/50/219138450.db2.gz	UFOCRSYSWXVXLA-CQSZACIVSA-N	1	2	348.403	1.574	10	5		EDBELO
COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000173964446	533527967	/nfs/dbraw/zinc/52/79/67/533527967.db2.gz	VGSJOSUGAKVKME-WFASDCNBSA-N	1	2	349.387	1.396	10	5		EDBELO
COC[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000050120547	214044833	/nfs/dbraw/zinc/04/48/33/214044833.db2.gz	MHIYGMMBGVVJOO-NSHDSACASA-N	1	2	333.182	1.796	10	5		EDBELO
COC[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000050120547	214044837	/nfs/dbraw/zinc/04/48/37/214044837.db2.gz	MHIYGMMBGVVJOO-NSHDSACASA-N	1	2	333.182	1.796	10	5		EDBELO
Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc([N+](=O)[O-])c1	ZINC000173855872	231053034	/nfs/dbraw/zinc/05/30/34/231053034.db2.gz	KOQOCRXKGOCEMN-BBRMVZONSA-N	1	2	333.388	1.696	10	5		EDBELO
CCCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Br	ZINC000037516445	213153657	/nfs/dbraw/zinc/15/36/57/213153657.db2.gz	CLLZXMXWXOYBBD-UHFFFAOYSA-N	1	2	330.182	1.973	10	5		EDBELO
CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000037326152	213140609	/nfs/dbraw/zinc/14/06/09/213140609.db2.gz	XFUJBJRZIORDEP-UHFFFAOYSA-N	1	2	333.797	1.574	10	5		EDBELO
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249349411	139191415	/nfs/dbraw/zinc/19/14/15/139191415.db2.gz	PIETXUTXZSBIJX-IEBDPFPHSA-N	1	2	343.767	1.003	10	5		EDBELO
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249349411	139191416	/nfs/dbraw/zinc/19/14/16/139191416.db2.gz	PIETXUTXZSBIJX-IEBDPFPHSA-N	1	2	343.767	1.003	10	5		EDBELO
Cc1cc(C)n(C[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)n1	ZINC000176234142	442197394	/nfs/dbraw/zinc/19/73/94/442197394.db2.gz	PQZMYKIHSAVPIZ-AWEZNQCLSA-N	1	2	334.380	1.006	10	5		EDBELO
Cc1cc(C)n(C[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)n1	ZINC000176234142	442197396	/nfs/dbraw/zinc/19/73/96/442197396.db2.gz	PQZMYKIHSAVPIZ-AWEZNQCLSA-N	1	2	334.380	1.006	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1	ZINC000128421412	442265131	/nfs/dbraw/zinc/26/51/31/442265131.db2.gz	RSLSJRNDFJWDLL-LBPRGKRZSA-N	1	2	347.293	1.674	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1	ZINC000128421412	442265134	/nfs/dbraw/zinc/26/51/34/442265134.db2.gz	RSLSJRNDFJWDLL-LBPRGKRZSA-N	1	2	347.293	1.674	10	5		EDBELO
CSc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000171289279	442339137	/nfs/dbraw/zinc/33/91/37/442339137.db2.gz	GJLKYKYCDBSPJC-NSHDSACASA-N	1	2	325.390	1.377	10	5		EDBELO
CSc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000171289279	442339138	/nfs/dbraw/zinc/33/91/38/442339138.db2.gz	GJLKYKYCDBSPJC-NSHDSACASA-N	1	2	325.390	1.377	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1	ZINC000194749915	442950074	/nfs/dbraw/zinc/95/00/74/442950074.db2.gz	NFWALJSNTJVRFK-ZDUSSCGKSA-N	1	2	334.376	1.230	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1	ZINC000194749915	442950076	/nfs/dbraw/zinc/95/00/76/442950076.db2.gz	NFWALJSNTJVRFK-ZDUSSCGKSA-N	1	2	334.376	1.230	10	5		EDBELO
COc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC	ZINC000153870654	533803108	/nfs/dbraw/zinc/80/31/08/533803108.db2.gz	JZOSLMVUYFWBFT-CYBMUJFWSA-N	1	2	337.376	1.713	10	5		EDBELO
COc1cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC	ZINC000153870654	533803114	/nfs/dbraw/zinc/80/31/14/533803114.db2.gz	JZOSLMVUYFWBFT-CYBMUJFWSA-N	1	2	337.376	1.713	10	5		EDBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCOCC1	ZINC000173971507	534423913	/nfs/dbraw/zinc/42/39/13/534423913.db2.gz	OENSLVXEBRRVIM-ABAIWWIYSA-N	1	2	337.351	1.527	10	5		EDBELO
COc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000173964431	533527618	/nfs/dbraw/zinc/52/76/18/533527618.db2.gz	VGSJOSUGAKVKME-DOMZBBRYSA-N	1	2	349.387	1.396	10	5		EDBELO
COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1	ZINC000173971447	441872067	/nfs/dbraw/zinc/87/20/67/441872067.db2.gz	SYPORDVDTQYMGY-WBMJQRKESA-N	1	2	349.387	1.396	10	5		EDBELO
CS(=O)(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-]	ZINC000125550325	442029928	/nfs/dbraw/zinc/02/99/28/442029928.db2.gz	VGEQBKIFSTVBPR-ZDUSSCGKSA-N	1	2	337.401	1.449	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1	ZINC000151881279	442134636	/nfs/dbraw/zinc/13/46/36/442134636.db2.gz	RXXUUUSQMGAFMK-MRXNPFEDSA-N	1	2	348.403	1.599	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1	ZINC000151881279	442134639	/nfs/dbraw/zinc/13/46/39/442134639.db2.gz	RXXUUUSQMGAFMK-MRXNPFEDSA-N	1	2	348.403	1.599	10	5		EDBELO
Cc1c(Br)c(NC[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-]	ZINC000165787509	442210582	/nfs/dbraw/zinc/21/05/82/442210582.db2.gz	QEPONMOFDMVCAF-VIFPVBQESA-N	1	2	345.197	1.803	10	5		EDBELO
Cc1c(Br)c(NC[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-]	ZINC000165787509	442210584	/nfs/dbraw/zinc/21/05/84/442210584.db2.gz	QEPONMOFDMVCAF-VIFPVBQESA-N	1	2	345.197	1.803	10	5		EDBELO
Cc1c(Br)c(NC[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-]	ZINC000165787375	442210893	/nfs/dbraw/zinc/21/08/93/442210893.db2.gz	QEPONMOFDMVCAF-SECBINFHSA-N	1	2	345.197	1.803	10	5		EDBELO
Cc1c(Br)c(NC[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-]	ZINC000165787375	442210897	/nfs/dbraw/zinc/21/08/97/442210897.db2.gz	QEPONMOFDMVCAF-SECBINFHSA-N	1	2	345.197	1.803	10	5		EDBELO
CSc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000188097583	442711052	/nfs/dbraw/zinc/71/10/52/442711052.db2.gz	IAYREXFTDACBBJ-SNVBAGLBSA-N	1	2	325.390	1.377	10	5		EDBELO
CSc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1[N+](=O)[O-]	ZINC000188097583	442711054	/nfs/dbraw/zinc/71/10/54/442711054.db2.gz	IAYREXFTDACBBJ-SNVBAGLBSA-N	1	2	325.390	1.377	10	5		EDBELO
C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1	ZINC000184807235	443079889	/nfs/dbraw/zinc/07/98/89/443079889.db2.gz	HLCOBGGEVTVHQM-RYUDHWBXSA-N	1	2	339.367	1.674	10	5		EDBELO
CC(C)n1nnnc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467835	528700030	/nfs/dbraw/zinc/70/00/30/528700030.db2.gz	OETJQLMEKPBYQT-LLVKDONJSA-N	1	2	332.368	1.244	10	5		EDBELO
CC(C)n1nnnc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467835	528700031	/nfs/dbraw/zinc/70/00/31/528700031.db2.gz	OETJQLMEKPBYQT-LLVKDONJSA-N	1	2	332.368	1.244	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1	ZINC000108945580	204274981	/nfs/dbraw/zinc/27/49/81/204274981.db2.gz	RXTWVKIXBBWJBA-CYBMUJFWSA-N	1	2	334.376	1.230	10	5		EDBELO
C[N@H+]1CCO[C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1	ZINC000108945580	204274986	/nfs/dbraw/zinc/27/49/86/204274986.db2.gz	RXTWVKIXBBWJBA-CYBMUJFWSA-N	1	2	334.376	1.230	10	5		EDBELO
O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCOCC2)ccc2ncccc21	ZINC000112072998	204382482	/nfs/dbraw/zinc/38/24/82/204382482.db2.gz	YKUZEPQFYGFBSG-GFCCVEGCSA-N	1	2	332.360	1.248	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000181167228	442682654	/nfs/dbraw/zinc/68/26/54/442682654.db2.gz	IBBPFBSOZYMZNX-JTQLQIEISA-N	1	2	345.302	1.257	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000181167228	442682656	/nfs/dbraw/zinc/68/26/56/442682656.db2.gz	IBBPFBSOZYMZNX-JTQLQIEISA-N	1	2	345.302	1.257	10	5		EDBELO
CCOc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000184041094	528673452	/nfs/dbraw/zinc/67/34/52/528673452.db2.gz	QDMNUUGKJOKXEJ-GFCCVEGCSA-N	1	2	325.365	1.099	10	5		EDBELO
CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C	ZINC000117278395	221042593	/nfs/dbraw/zinc/04/25/93/221042593.db2.gz	ZMEBUIAKFSMBRK-LBPRGKRZSA-N	1	2	339.367	1.917	10	5		EDBELO
CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C	ZINC000117278395	221042596	/nfs/dbraw/zinc/04/25/96/221042596.db2.gz	ZMEBUIAKFSMBRK-LBPRGKRZSA-N	1	2	339.367	1.917	10	5		EDBELO
CC[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142420	442181536	/nfs/dbraw/zinc/18/15/36/442181536.db2.gz	RYQSBNDSRZJKDR-LSDHHAIUSA-N	1	2	336.392	1.676	10	5		EDBELO
CC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142420	442181540	/nfs/dbraw/zinc/18/15/40/442181540.db2.gz	RYQSBNDSRZJKDR-LSDHHAIUSA-N	1	2	336.392	1.676	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000249775102	443004917	/nfs/dbraw/zinc/00/49/17/443004917.db2.gz	VUKZNODPCBTXTL-AWEZNQCLSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000249775102	443004918	/nfs/dbraw/zinc/00/49/18/443004918.db2.gz	VUKZNODPCBTXTL-AWEZNQCLSA-N	1	2	339.417	1.762	10	5		EDBELO
O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c2c(c1)COCO2	ZINC000173954418	231080994	/nfs/dbraw/zinc/08/09/94/231080994.db2.gz	MZPWUZMNWHECKK-OAHLLOKOSA-N	1	2	349.387	1.368	10	5		EDBELO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1	ZINC000105827151	204167132	/nfs/dbraw/zinc/16/71/32/204167132.db2.gz	CHZAEOHDSHPNAR-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
Cn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1	ZINC000105827151	204167136	/nfs/dbraw/zinc/16/71/36/204167136.db2.gz	CHZAEOHDSHPNAR-UHFFFAOYSA-N	1	2	343.387	1.676	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000123428518	222275929	/nfs/dbraw/zinc/27/59/29/222275929.db2.gz	XFJUUGOWDQSLMY-MRVPVSSYSA-N	1	2	331.170	1.495	10	5		EDBELO
C[N@H+]1CCO[C@H](CNc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000123428518	222275930	/nfs/dbraw/zinc/27/59/30/222275930.db2.gz	XFJUUGOWDQSLMY-MRVPVSSYSA-N	1	2	331.170	1.495	10	5		EDBELO
C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000170708088	442251226	/nfs/dbraw/zinc/25/12/26/442251226.db2.gz	WGIPCCATGYUJTI-SNVBAGLBSA-N	1	2	328.756	1.700	10	5		EDBELO
C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000170708088	442251229	/nfs/dbraw/zinc/25/12/29/442251229.db2.gz	WGIPCCATGYUJTI-SNVBAGLBSA-N	1	2	328.756	1.700	10	5		EDBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1[NH+]1CCOCC1	ZINC000184829369	443083401	/nfs/dbraw/zinc/08/34/01/443083401.db2.gz	UTTGYGWASNZBNU-BXUZGUMPSA-N	1	2	335.360	1.093	10	5		EDBELO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](C)O)CC1	ZINC000111285742	138308269	/nfs/dbraw/zinc/30/82/69/138308269.db2.gz	KRJYMYJLSHLDEU-LLVKDONJSA-N	1	2	337.376	1.635	10	5		EDBELO
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173945000	441866637	/nfs/dbraw/zinc/86/66/37/441866637.db2.gz	KPSJSJOOMDUNMX-GFCCVEGCSA-N	1	2	340.343	1.854	10	5		EDBELO
O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000171705323	442372207	/nfs/dbraw/zinc/37/22/07/442372207.db2.gz	QOMANQQNBMLMFE-GFCCVEGCSA-N	1	2	330.348	1.462	10	5		EDBELO
O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000171705323	442372209	/nfs/dbraw/zinc/37/22/09/442372209.db2.gz	QOMANQQNBMLMFE-GFCCVEGCSA-N	1	2	330.348	1.462	10	5		EDBELO
Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-]	ZINC000173967044	534599345	/nfs/dbraw/zinc/59/93/45/534599345.db2.gz	ZJDUOQWXOSXZGZ-HIFRSBDPSA-N	1	2	333.388	1.696	10	5		EDBELO
CCOc1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000184041077	528673626	/nfs/dbraw/zinc/67/36/26/528673626.db2.gz	QDMNUUGKJOKXEJ-LBPRGKRZSA-N	1	2	325.365	1.099	10	5		EDBELO
Cc1nn(CCC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)c1[N+](=O)[O-]	ZINC000177762828	207392135	/nfs/dbraw/zinc/39/21/35/207392135.db2.gz	LUMPVJCETIZDJS-CQSZACIVSA-N	1	2	346.391	1.686	10	5		EDBELO
C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173913131	441860004	/nfs/dbraw/zinc/86/00/04/441860004.db2.gz	ZNVWSDSQTMTAQH-GFCCVEGCSA-N	1	2	340.343	1.854	10	5		EDBELO
CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142392	442181748	/nfs/dbraw/zinc/18/17/48/442181748.db2.gz	RYQSBNDSRZJKDR-HUUCEWRRSA-N	1	2	336.392	1.676	10	5		EDBELO
CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc([N+](=O)[O-])c1	ZINC000176142392	442181752	/nfs/dbraw/zinc/18/17/52/442181752.db2.gz	RYQSBNDSRZJKDR-HUUCEWRRSA-N	1	2	336.392	1.676	10	5		EDBELO
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1	ZINC000193885391	442805294	/nfs/dbraw/zinc/80/52/94/442805294.db2.gz	PXGZPICDUYTECW-CYBMUJFWSA-N	1	2	332.320	1.932	10	5		EDBELO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])c1	ZINC000193885391	442805298	/nfs/dbraw/zinc/80/52/98/442805298.db2.gz	PXGZPICDUYTECW-CYBMUJFWSA-N	1	2	332.320	1.932	10	5		EDBELO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245833790	139087024	/nfs/dbraw/zinc/08/70/24/139087024.db2.gz	UHMOMJGDVVIVOW-SWLSCSKDSA-N	1	2	344.375	1.850	10	5		EDBELO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245833790	139087025	/nfs/dbraw/zinc/08/70/25/139087025.db2.gz	UHMOMJGDVVIVOW-SWLSCSKDSA-N	1	2	344.375	1.850	10	5		EDBELO
CC(C)n1cc[nH+]c1CS(=O)(=O)CCn1cc([N+](=O)[O-])cn1	ZINC000159325600	206238000	/nfs/dbraw/zinc/23/80/00/206238000.db2.gz	JDLVDSNIXBULEH-UHFFFAOYSA-N	1	2	327.366	1.184	10	5		EDBELO
COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000177281517	207315496	/nfs/dbraw/zinc/31/54/96/207315496.db2.gz	DULPDYREKZRRPS-CJNGLKHVSA-N	1	2	335.404	1.756	10	5		EDBELO
Nc1[nH+]cccc1Cn1cc(Br)cc([N+](=O)[O-])c1=O	ZINC000052733827	206083434	/nfs/dbraw/zinc/08/34/34/206083434.db2.gz	PROWFNWZRKDWKE-UHFFFAOYSA-N	1	2	325.122	1.545	10	5		EDBELO
CSc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000029956931	267383324	/nfs/dbraw/zinc/38/33/24/267383324.db2.gz	NSBQXHAMWWFPCB-NSHDSACASA-N	1	2	339.417	1.767	10	5		EDBELO
CCc1noc([C@@H](C)N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)n1	ZINC000174849940	441976197	/nfs/dbraw/zinc/97/61/97/441976197.db2.gz	CUOBRXYSUKIZFY-GFCCVEGCSA-N	1	2	349.395	1.116	10	5		EDBELO
Cn1cnnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Br	ZINC000050417782	214057403	/nfs/dbraw/zinc/05/74/03/214057403.db2.gz	GGXIQMXGPLXSMJ-UHFFFAOYSA-N	1	2	326.154	1.776	10	5		EDBELO
COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC	ZINC000153870715	533806442	/nfs/dbraw/zinc/80/64/42/533806442.db2.gz	JZOSLMVUYFWBFT-ZDUSSCGKSA-N	1	2	337.376	1.713	10	5		EDBELO
COc1cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c([N+](=O)[O-])cc1OC	ZINC000153870715	533806452	/nfs/dbraw/zinc/80/64/52/533806452.db2.gz	JZOSLMVUYFWBFT-ZDUSSCGKSA-N	1	2	337.376	1.713	10	5		EDBELO
C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1	ZINC000173960196	138677763	/nfs/dbraw/zinc/67/77/63/138677763.db2.gz	OFZMBLUHVYXJHT-CJNGLKHVSA-N	1	2	349.387	1.153	10	5		EDBELO
O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CSC[NH2+]1	ZINC000037042124	213131898	/nfs/dbraw/zinc/13/18/98/213131898.db2.gz	GWBMOJIXGYZFGH-MRVPVSSYSA-N	1	2	332.179	1.958	10	5		EDBELO
CNC(=O)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C	ZINC000178854634	442503525	/nfs/dbraw/zinc/50/35/25/442503525.db2.gz	WWZVZMBBBUBXBE-CQSZACIVSA-N	1	2	345.359	1.281	10	5		EDBELO
CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000189340254	442925324	/nfs/dbraw/zinc/92/53/24/442925324.db2.gz	UZWJUYMGCJBTEU-RRFJBIMHSA-N	1	2	348.359	1.782	10	5		EDBELO
CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1	ZINC000189340254	442925329	/nfs/dbraw/zinc/92/53/29/442925329.db2.gz	UZWJUYMGCJBTEU-RRFJBIMHSA-N	1	2	348.359	1.782	10	5		EDBELO
Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1	ZINC000173849630	534333714	/nfs/dbraw/zinc/33/37/14/534333714.db2.gz	KQXDXPXQPPURMG-CJNGLKHVSA-N	1	2	333.388	1.696	10	5		EDBELO
CC(C)n1nnnc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467818	528699382	/nfs/dbraw/zinc/69/93/82/528699382.db2.gz	OETJQLMEKPBYQT-NSHDSACASA-N	1	2	332.368	1.244	10	5		EDBELO
CC(C)n1nnnc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173467818	528699385	/nfs/dbraw/zinc/69/93/85/528699385.db2.gz	OETJQLMEKPBYQT-NSHDSACASA-N	1	2	332.368	1.244	10	5		EDBELO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000249692936	139197099	/nfs/dbraw/zinc/19/70/99/139197099.db2.gz	XGBZMVSTALMSDJ-NSHDSACASA-N	1	2	343.380	1.593	10	5		EDBELO
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000249692936	139197100	/nfs/dbraw/zinc/19/71/00/139197100.db2.gz	XGBZMVSTALMSDJ-NSHDSACASA-N	1	2	343.380	1.593	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C	ZINC000117284950	221042948	/nfs/dbraw/zinc/04/29/48/221042948.db2.gz	SMZYQPRUDZXZMG-LBPRGKRZSA-N	1	2	337.376	1.396	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C	ZINC000117284950	221042950	/nfs/dbraw/zinc/04/29/50/221042950.db2.gz	SMZYQPRUDZXZMG-LBPRGKRZSA-N	1	2	337.376	1.396	10	5		EDBELO
C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000076149308	441604499	/nfs/dbraw/zinc/60/44/99/441604499.db2.gz	JIOUZIYYQSACDJ-SNVBAGLBSA-N	1	2	327.768	1.699	10	5		EDBELO
CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)nc[nH+]1	ZINC000173429000	441747651	/nfs/dbraw/zinc/74/76/51/441747651.db2.gz	FRYALHAXKQFZEA-JTQLQIEISA-N	1	2	346.347	1.418	10	5		EDBELO
CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)[nH+]cn1	ZINC000173429000	441747656	/nfs/dbraw/zinc/74/76/56/441747656.db2.gz	FRYALHAXKQFZEA-JTQLQIEISA-N	1	2	346.347	1.418	10	5		EDBELO
CCc1noc([C@@H](C)N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1	ZINC000176233035	442196746	/nfs/dbraw/zinc/19/67/46/442196746.db2.gz	YFCKYHIGOGMVPA-GFCCVEGCSA-N	1	2	349.395	1.116	10	5		EDBELO
COc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000172758305	442536247	/nfs/dbraw/zinc/53/62/47/442536247.db2.gz	CBVSSSSMKRCSMH-CYBMUJFWSA-N	1	2	335.360	1.150	10	5		EDBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1[NH+]1CCOCC1	ZINC000184829387	443083250	/nfs/dbraw/zinc/08/32/50/443083250.db2.gz	UTTGYGWASNZBNU-SMDDNHRTSA-N	1	2	335.360	1.093	10	5		EDBELO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1	ZINC000173732558	231017720	/nfs/dbraw/zinc/01/77/20/231017720.db2.gz	MPEACMLANNBQPB-ZDUSSCGKSA-N	1	2	336.373	1.645	10	5		EDBELO
COc1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-]	ZINC000173964466	533528696	/nfs/dbraw/zinc/52/86/96/533528696.db2.gz	VGSJOSUGAKVKME-SWLSCSKDSA-N	1	2	349.387	1.396	10	5		EDBELO
C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000046261993	441096384	/nfs/dbraw/zinc/09/63/84/441096384.db2.gz	FGMFMSFFXBPJDC-ZDUSSCGKSA-N	1	2	336.392	1.457	10	5		EDBELO
CSc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000171289273	442339077	/nfs/dbraw/zinc/33/90/77/442339077.db2.gz	GJLKYKYCDBSPJC-LLVKDONJSA-N	1	2	325.390	1.377	10	5		EDBELO
CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-]	ZINC000171289273	442339079	/nfs/dbraw/zinc/33/90/79/442339079.db2.gz	GJLKYKYCDBSPJC-LLVKDONJSA-N	1	2	325.390	1.377	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1	ZINC000194630210	442927456	/nfs/dbraw/zinc/92/74/56/442927456.db2.gz	OOQTWYQUJRHQCQ-ZDUSSCGKSA-N	1	2	335.404	1.953	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1	ZINC000194630210	442927459	/nfs/dbraw/zinc/92/74/59/442927459.db2.gz	OOQTWYQUJRHQCQ-ZDUSSCGKSA-N	1	2	335.404	1.953	10	5		EDBELO
Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1	ZINC000173853527	231053060	/nfs/dbraw/zinc/05/30/60/231053060.db2.gz	PAZVHGMIPZXZFT-XHDPSFHLSA-N	1	2	334.376	1.091	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000056058412	214356024	/nfs/dbraw/zinc/35/60/24/214356024.db2.gz	VUKZNODPCBTXTL-CQSZACIVSA-N	1	2	339.417	1.762	10	5		EDBELO
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000056058412	214356027	/nfs/dbraw/zinc/35/60/27/214356027.db2.gz	VUKZNODPCBTXTL-CQSZACIVSA-N	1	2	339.417	1.762	10	5		EDBELO
COCC[N@@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000117285527	221043546	/nfs/dbraw/zinc/04/35/46/221043546.db2.gz	YZJDXWSBWPCWRN-LLVKDONJSA-N	1	2	325.340	1.527	10	5		EDBELO
COCC[N@H+]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000117285527	221043548	/nfs/dbraw/zinc/04/35/48/221043548.db2.gz	YZJDXWSBWPCWRN-LLVKDONJSA-N	1	2	325.340	1.527	10	5		EDBELO
COc1c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)nn1C	ZINC000159172552	533415169	/nfs/dbraw/zinc/41/51/69/533415169.db2.gz	KJNWLFDMLNMEQK-UHFFFAOYSA-N	1	2	345.403	1.968	10	5		EDBELO
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1	ZINC000122831993	222167687	/nfs/dbraw/zinc/16/76/87/222167687.db2.gz	LJIAGFWPRKOLHC-GFCCVEGCSA-N	1	2	344.371	1.594	10	5		EDBELO
C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1	ZINC000123101305	222215596	/nfs/dbraw/zinc/21/55/96/222215596.db2.gz	CNEUBKKIJYFEFH-SNVBAGLBSA-N	1	2	326.316	1.995	10	5		EDBELO
Cc1cnn(C[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000105892882	441310404	/nfs/dbraw/zinc/31/04/04/441310404.db2.gz	JMONDULSSKHDJD-QGZVFWFLSA-N	1	2	346.387	1.880	10	5		EDBELO
Cc1cnn(C[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)c1	ZINC000105892882	441310406	/nfs/dbraw/zinc/31/04/06/441310406.db2.gz	JMONDULSSKHDJD-QGZVFWFLSA-N	1	2	346.387	1.880	10	5		EDBELO
O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000177778742	442383617	/nfs/dbraw/zinc/38/36/17/442383617.db2.gz	DTVSSPKGRGYDGU-CQSZACIVSA-N	1	2	330.344	1.861	10	5		EDBELO
CCc1n[nH]c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-]	ZINC000192683818	442676048	/nfs/dbraw/zinc/67/60/48/442676048.db2.gz	UFCDMCZYGSPIPZ-NSHDSACASA-N	1	2	332.364	1.690	10	5		EDBELO
CCc1[nH]nc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1[N+](=O)[O-]	ZINC000192683818	442676051	/nfs/dbraw/zinc/67/60/51/442676051.db2.gz	UFCDMCZYGSPIPZ-NSHDSACASA-N	1	2	332.364	1.690	10	5		EDBELO
C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1	ZINC000151881369	442134613	/nfs/dbraw/zinc/13/46/13/442134613.db2.gz	RXXUUUSQMGAFMK-INIZCTEOSA-N	1	2	348.403	1.599	10	5		EDBELO
C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1	ZINC000151881369	442134615	/nfs/dbraw/zinc/13/46/15/442134615.db2.gz	RXXUUUSQMGAFMK-INIZCTEOSA-N	1	2	348.403	1.599	10	5		EDBELO