smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788666	557080646	/nfs/dbraw/zinc/08/06/46/557080646.db2.gz	PYXAIPOMQPZIPD-UHFFFAOYSA-N	0	0	411.462	0.946	50	5		HCBARN
CCOC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788668	557080667	/nfs/dbraw/zinc/08/06/67/557080667.db2.gz	FVSFPWFEDYJAHG-UHFFFAOYSA-N	0	0	411.462	0.946	50	5		HCBARN
CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788682	568477969	/nfs/dbraw/zinc/47/79/69/568477969.db2.gz	LYJLGXZASITUKA-UHFFFAOYSA-N	0	0	410.478	0.519	50	5		HCBARN
COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788688	557080738	/nfs/dbraw/zinc/08/07/38/557080738.db2.gz	XFFURGYJKJCNIO-UHFFFAOYSA-N	0	0	411.462	0.946	50	5		HCBARN
COC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788689	568477988	/nfs/dbraw/zinc/47/79/88/568477988.db2.gz	IQIZZZGHKIIXBZ-UHFFFAOYSA-N	0	0	411.462	0.946	50	5		HCBARN
CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788703	568478049	/nfs/dbraw/zinc/47/80/49/568478049.db2.gz	YEVVRAVNIQOERY-UHFFFAOYSA-N	0	0	410.478	0.519	50	5		HCBARN
CNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788707	568478021	/nfs/dbraw/zinc/47/80/21/568478021.db2.gz	VSEVDHJLFURWHH-UHFFFAOYSA-N	0	0	410.478	0.519	50	5		HCBARN
CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788710	568478035	/nfs/dbraw/zinc/47/80/35/568478035.db2.gz	SCZQYEBPDQUYLY-UHFFFAOYSA-N	0	0	424.505	0.909	50	5		HCBARN
CCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000000788792	569009473	/nfs/dbraw/zinc/00/94/73/569009473.db2.gz	ARFSPLHGBKDGRM-UHFFFAOYSA-N	0	0	410.478	0.519	50	5		HCBARN
CCCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1c(C)cccn1c2=O	ZINC000000788866	568478167	/nfs/dbraw/zinc/47/81/67/568478167.db2.gz	QJUAJSGVBXQYRW-UHFFFAOYSA-N	0	0	424.505	0.909	50	5		HCBARN
CCCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccc(C)cn1c2=O	ZINC000000788868	568478155	/nfs/dbraw/zinc/47/81/55/568478155.db2.gz	QEHVHJOQHXWMBY-UHFFFAOYSA-N	0	0	424.505	0.909	50	5		HCBARN
CC(C)n1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccccn1c2=O	ZINC000000794702	557082763	/nfs/dbraw/zinc/08/27/63/557082763.db2.gz	VWYCILFZIKGFGI-UHFFFAOYSA-N	0	0	410.478	0.772	50	5		HCBARN
Cn1c2nc(Br)n(CC(=O)c3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000000841951	568528215	/nfs/dbraw/zinc/52/82/15/568528215.db2.gz	MNFVKQNZBUFZQS-UHFFFAOYSA-N	0	0	408.168	0.977	50	5		HCBARN
O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000001009277	568761144	/nfs/dbraw/zinc/76/11/44/568761144.db2.gz	WZNGCIXHUPPLLZ-UHFFFAOYSA-N	0	0	409.424	0.841	50	5		HCBARN
COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	ZINC000001046167	568764666	/nfs/dbraw/zinc/76/46/66/568764666.db2.gz	KQOJXFHOZKESCN-JTQLQIEISA-N	0	0	413.228	0.846	50	5		HCBARN
COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])c1c(N)n(C)c(=O)n(C)c1=O	ZINC000001046168	568764591	/nfs/dbraw/zinc/76/45/91/568764591.db2.gz	KQOJXFHOZKESCN-SNVBAGLBSA-N	0	0	413.228	0.846	50	5		HCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NC[C@H]3CCCO3)CC2)cc1	ZINC000001056508	568765035	/nfs/dbraw/zinc/76/50/35/568765035.db2.gz	UMEZOGFKDMDUAS-CQSZACIVSA-N	0	0	414.509	0.955	50	5		HCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NC[C@@H]3CCCO3)CC2)cc1	ZINC000001056511	568765067	/nfs/dbraw/zinc/76/50/67/568765067.db2.gz	UMEZOGFKDMDUAS-AWEZNQCLSA-N	0	0	414.509	0.955	50	5		HCBARN
Cn1c2nc(Br)n(CC(=O)c3cccc([N+](=O)[O-])c3)c2c(=O)[nH]c1=O	ZINC000001509256	569006027	/nfs/dbraw/zinc/00/60/27/569006027.db2.gz	JJQYCWHNDMJXRP-UHFFFAOYSA-N	0	0	408.168	0.977	50	5		HCBARN
Cn1c2nc(Br)n(CC(=O)c3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000001562934	569030532	/nfs/dbraw/zinc/03/05/32/569030532.db2.gz	KPRBDGIRCKUIED-UHFFFAOYSA-N	0	0	422.195	0.987	50	5		HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000002020105	560185823	/nfs/dbraw/zinc/18/58/23/560185823.db2.gz	DYCJFJRCWPVDHY-MJFSBKNWSA-N	0	0	419.419	0.638	50	5	in-vitro	HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000002097863	560124692	/nfs/dbraw/zinc/12/46/92/560124692.db2.gz	DYCJFJRCWPVDHY-LSCFUAHRSA-N	0	0	419.419	0.638	50	5	biogenic,in-vivo	HCBARN
Cn1c2nc(NC[C@H]3CCCO3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000002227285	569317127	/nfs/dbraw/zinc/31/71/27/569317127.db2.gz	QXZCERQCTYQDJK-CQSZACIVSA-N	0	0	414.422	0.981	50	5		HCBARN
COCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2cccnc2)c1=N	ZINC000002316047	557336658	/nfs/dbraw/zinc/33/66/58/557336658.db2.gz	IXNSRMOUFIONNN-UHFFFAOYSA-N	0	0	404.430	0.948	50	5		HCBARN
COCCCn1c(=N)c(C(=O)N2CCN(C)CC2)cc2c1nc1c(C)cccn1c2=O	ZINC000002508791	557353715	/nfs/dbraw/zinc/35/37/15/557353715.db2.gz	VSPBTSWEZZOJSP-UHFFFAOYSA-N	0	0	424.505	0.861	50	5		HCBARN
O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(F)(F)F	ZINC000002631534	568790913	/nfs/dbraw/zinc/79/09/13/568790913.db2.gz	BIWCWCNWZHYOGG-UHFFFAOYSA-N	0	0	403.269	0.803	50	5		HCBARN
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000002636630	568792406	/nfs/dbraw/zinc/79/24/06/568792406.db2.gz	QBAGDRBDMSOBHW-UHFFFAOYSA-N	0	0	423.403	0.878	50	5		HCBARN
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCn1nnc2ccccc2c1=O	ZINC000002659033	568798445	/nfs/dbraw/zinc/79/84/45/568798445.db2.gz	DBROXGFZUHZUCP-UHFFFAOYSA-N	0	0	423.341	0.887	50	5		HCBARN
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1	ZINC000002659918	568798723	/nfs/dbraw/zinc/79/87/23/568798723.db2.gz	LQQDOOCIAKRJMF-RISCZKNCSA-N	0	0	423.403	0.473	50	5		HCBARN
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000002695096	557741301	/nfs/dbraw/zinc/74/13/01/557741301.db2.gz	YCDUZYPXVAZSKP-UHFFFAOYSA-N	0	0	410.478	0.601	50	5		HCBARN
CCCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccccn1c2=O	ZINC000002696000	557741478	/nfs/dbraw/zinc/74/14/78/557741478.db2.gz	FNCAZDCMSNYTEZ-UHFFFAOYSA-N	0	0	410.478	0.601	50	5		HCBARN
Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1[N+](=O)[O-]	ZINC000002725933	568803884	/nfs/dbraw/zinc/80/38/84/568803884.db2.gz	UTMYURXCSZTOEQ-UHFFFAOYSA-N	0	0	407.452	0.941	50	5		HCBARN
O=C(CNC(=O)c1cccs1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002749123	568806069	/nfs/dbraw/zinc/80/60/69/568806069.db2.gz	STURDXXSYDGEOK-UHFFFAOYSA-N	0	0	405.388	0.928	50	5		HCBARN
CC1=C(C(=O)NCC(C)C)N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	ZINC000002785521	568808697	/nfs/dbraw/zinc/80/86/97/568808697.db2.gz	XCMJVMGDLJZARJ-SJCJKPOMSA-N	0	0	422.467	0.388	50	5		HCBARN
CC1=C(C(=O)NCC(C)C)N2C(=O)[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	ZINC000002785522	568808782	/nfs/dbraw/zinc/80/87/82/568808782.db2.gz	XCMJVMGDLJZARJ-YVEFUNNKSA-N	0	0	422.467	0.388	50	5		HCBARN
CC1=C(C(=O)NCC(C)C)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@@H]2SC1	ZINC000002785523	568808780	/nfs/dbraw/zinc/80/87/80/568808780.db2.gz	XCMJVMGDLJZARJ-PXAZEXFGSA-N	0	0	422.467	0.388	50	5		HCBARN
CC1=C(C(=O)NCC(C)C)N2C(=O)[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2SC1	ZINC000002785524	568808699	/nfs/dbraw/zinc/80/86/99/568808699.db2.gz	XCMJVMGDLJZARJ-SJKOYZFVSA-N	0	0	422.467	0.388	50	5		HCBARN
CCCNC(=O)C1=C(C)CS[C@H]2[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C(=O)N12	ZINC000002785576	568808715	/nfs/dbraw/zinc/80/87/15/568808715.db2.gz	JQKIFYMNBIMXSZ-BZNIZROVSA-N	0	0	408.440	0.142	50	5		HCBARN
CCCNC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C(=O)N12	ZINC000002785577	568808810	/nfs/dbraw/zinc/80/88/10/568808810.db2.gz	JQKIFYMNBIMXSZ-BDJLRTHQSA-N	0	0	408.440	0.142	50	5		HCBARN
CCCNC(=O)C1=C(C)CS[C@H]2[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C(=O)N12	ZINC000002785578	568809000	/nfs/dbraw/zinc/80/90/00/568809000.db2.gz	JQKIFYMNBIMXSZ-ZBEGNZNMSA-N	0	0	408.440	0.142	50	5		HCBARN
CCCNC(=O)C1=C(C)CS[C@@H]2[C@@H](NC(=O)c3nn(C)cc3[N+](=O)[O-])C(=O)N12	ZINC000002785579	568808920	/nfs/dbraw/zinc/80/89/20/568808920.db2.gz	JQKIFYMNBIMXSZ-MEDUHNTESA-N	0	0	408.440	0.142	50	5		HCBARN
Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1	ZINC000002803530	568810954	/nfs/dbraw/zinc/81/09/54/568810954.db2.gz	CRVYGHHUPCOIDR-UHFFFAOYSA-N	0	0	415.453	0.024	50	5		HCBARN
CCn1ncc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c1C(=O)N1CCOCC1	ZINC000002804779	568811629	/nfs/dbraw/zinc/81/16/29/568811629.db2.gz	QJNWZGDJOALEOK-UHFFFAOYSA-N	0	0	405.415	0.817	50	5		HCBARN
Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1	ZINC000002804965	568811689	/nfs/dbraw/zinc/81/16/89/568811689.db2.gz	LCGFJVDIJZJCRR-UHFFFAOYSA-N	0	0	415.414	0.526	50	5		HCBARN
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N(CCO)CCO)c1	ZINC000002864671	568813542	/nfs/dbraw/zinc/81/35/42/568813542.db2.gz	YCRWMHQZCWMKKW-UHFFFAOYSA-N	0	0	409.420	0.822	50	5		HCBARN
CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CCN(C(=O)c3ccccc3)CC2)N1C	ZINC000003190066	568860618	/nfs/dbraw/zinc/86/06/18/568860618.db2.gz	FHGQPGCAHAFEOF-UHFFFAOYSA-N	0	0	402.411	0.891	50	5		HCBARN
COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-]	ZINC000003291515	568873787	/nfs/dbraw/zinc/87/37/87/568873787.db2.gz	DHWHNJXZMCDKKE-UHFFFAOYSA-N	0	0	416.390	0.911	50	5		HCBARN
CS(=O)(=O)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1[N+](=O)[O-]	ZINC000003295425	568874804	/nfs/dbraw/zinc/87/48/04/568874804.db2.gz	XDDQMABRITWITH-UHFFFAOYSA-N	0	0	404.360	0.918	50	5		HCBARN
NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1	ZINC000003309118	568877741	/nfs/dbraw/zinc/87/77/41/568877741.db2.gz	IJCDLNMDSPMOSD-UHFFFAOYSA-N	0	0	403.376	0.591	50	5		HCBARN
COc1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC	ZINC000003360074	568887596	/nfs/dbraw/zinc/88/75/96/568887596.db2.gz	IATRFAIQUKAYCV-SECBINFHSA-N	0	0	402.381	0.072	50	5		HCBARN
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003369037	568889564	/nfs/dbraw/zinc/88/95/64/568889564.db2.gz	TUMSBAZVIAWQKX-UHFFFAOYSA-N	0	0	409.376	0.450	50	5		HCBARN
NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1	ZINC000003391426	568894573	/nfs/dbraw/zinc/89/45/73/568894573.db2.gz	WCGVNOHRDGETKJ-UHFFFAOYSA-N	0	0	406.376	0.667	50	5		HCBARN
Cn1cccc1C(=O)NC(=O)COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003408812	568897671	/nfs/dbraw/zinc/89/76/71/568897671.db2.gz	YCBSXHSJKOGQRD-UHFFFAOYSA-N	0	0	402.363	0.553	50	5		HCBARN
CCS(=O)(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000004199493	132273087	/nfs/dbraw/zinc/27/30/87/132273087.db2.gz	QBKDFCMNBNDQDD-UHFFFAOYSA-N	0	0	412.468	0.539	50	5		HCBARN
CC(=O)O[C@@H]1CO[C@H](n2nnc3c2cccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004425870	558544047	/nfs/dbraw/zinc/54/40/47/558544047.db2.gz	KDIBGRIOEGKAKP-DZUCGIPZSA-N	0	0	422.350	0.663	50	5		HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1	ZINC000004475303	558599703	/nfs/dbraw/zinc/59/97/03/558599703.db2.gz	DYCJFJRCWPVDHY-ABYLEIOUSA-N	0	0	419.419	0.638	50	5	biogenic,in-vitro	HCBARN
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004591333	132279508	/nfs/dbraw/zinc/27/95/08/132279508.db2.gz	HHZWLGXNPJORPQ-UHFFFAOYSA-N	0	0	409.402	0.947	50	5		HCBARN
CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N(C)C1=S	ZINC000004624655	132280608	/nfs/dbraw/zinc/28/06/08/132280608.db2.gz	PHOPZJRCRZXCIH-RDTXWAMCSA-N	0	0	404.448	0.948	50	5		HCBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N(C)C1=S	ZINC000004624658	132280626	/nfs/dbraw/zinc/28/06/26/132280626.db2.gz	PHOPZJRCRZXCIH-KDOFPFPSSA-N	0	0	404.448	0.948	50	5		HCBARN
O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004844591	559169274	/nfs/dbraw/zinc/16/92/74/559169274.db2.gz	HBYYKRZNACGRHU-UHFFFAOYSA-N	0	0	413.386	0.796	50	5		HCBARN
O=c1c2ccc3c(=O)n(CCCCO)c(=O)c4ccc(c(=O)n1CCCCO)c2c34	ZINC000004905901	559201796	/nfs/dbraw/zinc/20/17/96/559201796.db2.gz	XZBVMYTVRGGDKI-UHFFFAOYSA-N	0	0	410.426	0.611	50	5		HCBARN
O=C(COc1cccnc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000006191401	569031144	/nfs/dbraw/zinc/03/11/44/569031144.db2.gz	GJSGVOKDMTWQIY-UHFFFAOYSA-N	0	0	406.420	0.902	50	5		HCBARN
Cc1cccn2c1nc1c(cc(C(N)=S)c(=N)n1CCCN1CCOCC1)c2=O	ZINC000006816483	569137470	/nfs/dbraw/zinc/13/74/70/569137470.db2.gz	HSGJGKRYIUTTKS-UHFFFAOYSA-N	0	0	412.519	0.794	50	5		HCBARN
CCOC(=O)[C@@H]1C[C@]2(C(=O)OC)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)OC)ON2O1	ZINC000008383500	568996339	/nfs/dbraw/zinc/99/63/39/568996339.db2.gz	DYPBRIDEEAOSTL-HNSFDTNUSA-N	0	0	424.362	0.646	50	5		HCBARN
COc1nc(NC(=O)NC(=O)c2c(OC)ccc([N+](=O)[O-])c2OC)nc(OC)n1	ZINC000008626765	571096324	/nfs/dbraw/zinc/09/63/24/571096324.db2.gz	FQJMDNMHCGECTK-UHFFFAOYSA-N	0	0	408.327	0.776	50	5		HCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000008666184	571100157	/nfs/dbraw/zinc/10/01/57/571100157.db2.gz	WFDXICGVMGDWHI-LLVKDONJSA-N	0	0	419.481	0.128	50	5		HCBARN
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000008666185	571100079	/nfs/dbraw/zinc/10/00/79/571100079.db2.gz	WFDXICGVMGDWHI-NSHDSACASA-N	0	0	419.481	0.128	50	5		HCBARN
Nc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-]	ZINC000008687718	571101979	/nfs/dbraw/zinc/10/19/79/571101979.db2.gz	WXUHDBCJFSDGOO-UHFFFAOYSA-N	0	0	402.363	0.911	50	5		HCBARN
CSc1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008741807	571110732	/nfs/dbraw/zinc/11/07/32/571110732.db2.gz	ZQLZYLIZSOFFSA-SECBINFHSA-N	0	0	408.479	0.394	50	5		HCBARN
CSc1ccc(S(=O)(=O)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008741808	571110598	/nfs/dbraw/zinc/11/05/98/571110598.db2.gz	ZQLZYLIZSOFFSA-VIFPVBQESA-N	0	0	408.479	0.394	50	5		HCBARN
CS(=O)(=O)c1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008741811	571110548	/nfs/dbraw/zinc/11/05/48/571110548.db2.gz	BOYSIXNBGPFVMW-SECBINFHSA-N	0	0	408.479	0.394	50	5		HCBARN
CS(=O)(=O)c1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008741812	571110702	/nfs/dbraw/zinc/11/07/02/571110702.db2.gz	BOYSIXNBGPFVMW-VIFPVBQESA-N	0	0	408.479	0.394	50	5		HCBARN
O=[N+]([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000008779926	571118919	/nfs/dbraw/zinc/11/89/19/571118919.db2.gz	DTPHQYAKKLMPAS-LLVKDONJSA-N	0	0	405.454	0.215	50	5		HCBARN
O=[N+]([O-])c1ccc(N[C@H]2CCS(=O)(=O)C2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000008779927	571118867	/nfs/dbraw/zinc/11/88/67/571118867.db2.gz	DTPHQYAKKLMPAS-NSHDSACASA-N	0	0	405.454	0.215	50	5		HCBARN
CC(C)NC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C	ZINC000008824994	569390406	/nfs/dbraw/zinc/39/04/06/569390406.db2.gz	GFABDPUWADEYSK-UHFFFAOYSA-N	0	0	423.411	0.661	50	5		HCBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000008825903	571122189	/nfs/dbraw/zinc/12/21/89/571122189.db2.gz	BDIVUHMJJDDZMX-UHFFFAOYSA-N	0	0	407.408	0.890	50	5		HCBARN
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000008826252	132333664	/nfs/dbraw/zinc/33/36/64/132333664.db2.gz	LPGXWMXEGKTSHA-UHFFFAOYSA-N	0	0	417.447	0.741	50	5		HCBARN
COCCOC(=O)C1=C(C)Nc2cc(=O)[nH]c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008830402	569390472	/nfs/dbraw/zinc/39/04/72/569390472.db2.gz	LQROUDKPZYHFFY-MRXNPFEDSA-N	0	0	402.363	0.923	50	5		HCBARN
COCCOC(=O)C1=C(C)Nc2cc(=O)[nH]c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008830403	569390489	/nfs/dbraw/zinc/39/04/89/569390489.db2.gz	LQROUDKPZYHFFY-INIZCTEOSA-N	0	0	402.363	0.923	50	5		HCBARN
NS(=O)(=O)c1cccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000008882736	571140541	/nfs/dbraw/zinc/14/05/41/571140541.db2.gz	GGQHCBIQRSUQRB-UHFFFAOYSA-N	0	0	403.376	0.591	50	5		HCBARN
CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	ZINC000009009894	132334900	/nfs/dbraw/zinc/33/49/00/132334900.db2.gz	KXVQUWMBYVDCRO-HNNXBMFYSA-N	0	0	415.406	0.225	50	5		HCBARN
CC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	ZINC000009009895	132334980	/nfs/dbraw/zinc/33/49/80/132334980.db2.gz	KXVQUWMBYVDCRO-OAHLLOKOSA-N	0	0	415.406	0.225	50	5		HCBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000009050831	571216082	/nfs/dbraw/zinc/21/60/82/571216082.db2.gz	AYEQULLKRCYSEV-GFCCVEGCSA-N	0	0	407.404	0.369	50	5		HCBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1	ZINC000009050835	571216270	/nfs/dbraw/zinc/21/62/70/571216270.db2.gz	AYEQULLKRCYSEV-LBPRGKRZSA-N	0	0	407.404	0.369	50	5		HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000009058686	571216992	/nfs/dbraw/zinc/21/69/92/571216992.db2.gz	DYCJFJRCWPVDHY-PLNCSYRRSA-N	0	0	419.419	0.638	50	5		HCBARN
Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000009090567	132335722	/nfs/dbraw/zinc/33/57/22/132335722.db2.gz	SLRLCPLYJORLJP-UHFFFAOYSA-N	0	0	423.455	0.106	50	5		HCBARN
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1	ZINC000009096070	132335800	/nfs/dbraw/zinc/33/58/00/132335800.db2.gz	JXVZTFGTPUHAGC-UHFFFAOYSA-N	0	0	422.467	0.820	50	5		HCBARN
COC(CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)N(C)C(=O)N(C)C2=O)OC	ZINC000009111067	536503432	/nfs/dbraw/zinc/50/34/32/536503432.db2.gz	NZNLKGNTOWYCIO-UHFFFAOYSA-N	0	0	406.395	0.613	50	5		HCBARN
Cc1nn(CC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)c1[N+](=O)[O-]	ZINC000009120670	571225570	/nfs/dbraw/zinc/22/55/70/571225570.db2.gz	FEMPSKYNBXBYRF-UHFFFAOYSA-N	0	0	411.396	0.237	50	5		HCBARN
O=C(NCCNC(=O)c1cnccn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000009192531	132337047	/nfs/dbraw/zinc/33/70/47/132337047.db2.gz	GHVCGPKEPZZCTD-UHFFFAOYSA-N	0	0	400.395	0.381	50	5		HCBARN
Cn1cccc1C(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000009205152	132337085	/nfs/dbraw/zinc/33/70/85/132337085.db2.gz	HRPXVBAMIPGGJE-UHFFFAOYSA-N	0	0	416.390	0.883	50	5		HCBARN
CCN(CC)C(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	ZINC000009219446	571238107	/nfs/dbraw/zinc/23/81/07/571238107.db2.gz	FWJSCFDCQUKDNG-UHFFFAOYSA-N	0	0	416.456	0.351	50	5		HCBARN
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccn4)C[C@H]32)C(=O)N1	ZINC000009302851	132338217	/nfs/dbraw/zinc/33/82/17/132338217.db2.gz	KDOVSKBCUZRSDY-HNNXBMFYSA-N	0	0	422.401	0.594	50	5		HCBARN
COc1ccc(-n2nnnc2S(=O)(=O)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009328020	569392341	/nfs/dbraw/zinc/39/23/41/569392341.db2.gz	QOVXWGSXMOYFTO-UHFFFAOYSA-N	0	0	418.391	0.992	50	5		HCBARN
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000009331483	569392328	/nfs/dbraw/zinc/39/23/28/569392328.db2.gz	AZMKCQMEKRKQGJ-UHFFFAOYSA-N	0	0	404.408	0.610	50	5		HCBARN
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	ZINC000009348721	535549197	/nfs/dbraw/zinc/54/91/97/535549197.db2.gz	QENNDIHQKKQBCK-YGRLFVJLSA-N	0	0	416.390	0.651	50	5		HCBARN
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	ZINC000009348722	132338948	/nfs/dbraw/zinc/33/89/48/132338948.db2.gz	QENNDIHQKKQBCK-HZMBPMFUSA-N	0	0	416.390	0.651	50	5		HCBARN
CN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000009352401	571250608	/nfs/dbraw/zinc/25/06/08/571250608.db2.gz	KGFPIWRAOAEGCV-GFCCVEGCSA-N	0	0	402.450	0.876	50	5		HCBARN
CN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000009352402	571250602	/nfs/dbraw/zinc/25/06/02/571250602.db2.gz	KGFPIWRAOAEGCV-LBPRGKRZSA-N	0	0	402.450	0.876	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000009356234	569392549	/nfs/dbraw/zinc/39/25/49/569392549.db2.gz	ZCAJZEBWTXTYLJ-GPINWOSQSA-N	0	0	416.342	0.860	50	5		HCBARN
O=C(CN1C(=O)CCC1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000009367597	571252333	/nfs/dbraw/zinc/25/23/33/571252333.db2.gz	NCBMYNANTCSZBA-UHFFFAOYSA-N	0	0	424.416	0.972	50	5		HCBARN
CC1=C(C(=O)N2CCOCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)NC(=S)N1	ZINC000009402936	571255039	/nfs/dbraw/zinc/25/50/39/571255039.db2.gz	XORBCJZIEYZROI-HNNXBMFYSA-N	0	0	406.420	0.975	50	5		HCBARN
CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)NC(=S)N1	ZINC000009402937	571254975	/nfs/dbraw/zinc/25/49/75/571254975.db2.gz	XORBCJZIEYZROI-OAHLLOKOSA-N	0	0	406.420	0.975	50	5		HCBARN
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000009424565	571257677	/nfs/dbraw/zinc/25/76/77/571257677.db2.gz	SAIFPXDJXFTSIG-UHFFFAOYSA-N	0	0	413.438	0.142	50	5		HCBARN
Cn1c2nc(N3CCOCC3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000009424895	571257660	/nfs/dbraw/zinc/25/76/60/571257660.db2.gz	OPNMHUJJLXRZIS-UHFFFAOYSA-N	0	0	400.395	0.227	50	5		HCBARN
Cn1c2nc(NC[C@@H]3CCCO3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000009425143	571257668	/nfs/dbraw/zinc/25/76/68/571257668.db2.gz	QXZCERQCTYQDJK-AWEZNQCLSA-N	0	0	414.422	0.981	50	5		HCBARN
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2C1	ZINC000009446763	535779377	/nfs/dbraw/zinc/77/93/77/535779377.db2.gz	CBZFVBWEOFIKJM-ZDUSSCGKSA-N	0	0	417.378	0.150	50	5		HCBARN
Cc1nn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000009506922	571263669	/nfs/dbraw/zinc/26/36/69/571263669.db2.gz	AVDAZRYDZSBEKP-KGLIPLIRSA-N	0	0	400.457	0.603	50	5		HCBARN
Cc1nn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000009506924	571263712	/nfs/dbraw/zinc/26/37/12/571263712.db2.gz	AVDAZRYDZSBEKP-ZIAGYGMSSA-N	0	0	400.457	0.603	50	5		HCBARN
Cc1nn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000009506926	571263685	/nfs/dbraw/zinc/26/36/85/571263685.db2.gz	AVDAZRYDZSBEKP-KBPBESRZSA-N	0	0	400.457	0.603	50	5		HCBARN
Cc1nn(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000009506928	571263687	/nfs/dbraw/zinc/26/36/87/571263687.db2.gz	AVDAZRYDZSBEKP-UONOGXRCSA-N	0	0	400.457	0.603	50	5		HCBARN
COc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1OC	ZINC000009511186	571264127	/nfs/dbraw/zinc/26/41/27/571264127.db2.gz	IATRFAIQUKAYCV-VIFPVBQESA-N	0	0	402.381	0.072	50	5		HCBARN
CN(C)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	ZINC000009512170	571264255	/nfs/dbraw/zinc/26/42/55/571264255.db2.gz	JTTMLQGQROUVID-UHFFFAOYSA-N	0	0	410.408	0.693	50	5		HCBARN
O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1F	ZINC000009540216	571267425	/nfs/dbraw/zinc/26/74/25/571267425.db2.gz	GGOKUEAMIVMXDF-UHFFFAOYSA-N	0	0	416.321	0.919	50	5		HCBARN
CCCn1c(N)c(N(CCOC)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(=O)[nH]c1=O	ZINC000009544940	571267484	/nfs/dbraw/zinc/26/74/84/571267484.db2.gz	CTKSGUDLXZOQMS-UHFFFAOYSA-N	0	0	421.410	0.739	50	5		HCBARN
NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000009562055	571268444	/nfs/dbraw/zinc/26/84/44/571268444.db2.gz	YETLPLKCGXVCJY-UHFFFAOYSA-N	0	0	405.816	0.677	50	5		HCBARN
CCNc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	ZINC000009581101	571270874	/nfs/dbraw/zinc/27/08/74/571270874.db2.gz	CAURWPSDDQBVJM-UHFFFAOYSA-N	0	0	405.367	0.046	50	5		HCBARN
O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000009582774	571270998	/nfs/dbraw/zinc/27/09/98/571270998.db2.gz	RRZXUSINZYBTAL-UHFFFAOYSA-N	0	0	416.321	0.919	50	5		HCBARN
CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-]	ZINC000009595028	571272310	/nfs/dbraw/zinc/27/23/10/571272310.db2.gz	LOGDYVPRLIKUGP-UHFFFAOYSA-N	0	0	421.435	0.995	50	5		HCBARN
Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000009610029	132235084	/nfs/dbraw/zinc/23/50/84/132235084.db2.gz	GLBQVPDROGWFAZ-UHFFFAOYSA-N	0	0	410.412	0.967	50	5		HCBARN
COC(=O)c1cc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000009612703	571273780	/nfs/dbraw/zinc/27/37/80/571273780.db2.gz	ZEYGNNFEZGOFOB-GFCCVEGCSA-N	0	0	414.392	0.184	50	5		HCBARN
COC(=O)c1cc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc([N+](=O)[O-])c1	ZINC000009612704	571273783	/nfs/dbraw/zinc/27/37/83/571273783.db2.gz	ZEYGNNFEZGOFOB-LBPRGKRZSA-N	0	0	414.392	0.184	50	5		HCBARN
Cc1nnc(NC(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)o1	ZINC000009635538	132341883	/nfs/dbraw/zinc/34/18/83/132341883.db2.gz	BAAAEVYPXHXUQH-UHFFFAOYSA-N	0	0	410.412	0.789	50	5		HCBARN
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1	ZINC000009661825	571277706	/nfs/dbraw/zinc/27/77/06/571277706.db2.gz	LQQDOOCIAKRJMF-FZMZJTMJSA-N	0	0	423.403	0.473	50	5		HCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCS(=O)(=O)C1	ZINC000009672741	571278760	/nfs/dbraw/zinc/27/87/60/571278760.db2.gz	MGBZUXUZEKQWDJ-LLVKDONJSA-N	0	0	405.454	0.215	50	5		HCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCS(=O)(=O)C1	ZINC000009672742	571278727	/nfs/dbraw/zinc/27/87/27/571278727.db2.gz	MGBZUXUZEKQWDJ-NSHDSACASA-N	0	0	405.454	0.215	50	5		HCBARN
O=C(COC(=O)CSCC(=O)N1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000009883771	569251495	/nfs/dbraw/zinc/25/14/95/569251495.db2.gz	GULFVZHYOWVBGM-UHFFFAOYSA-N	0	0	415.399	0.808	50	5		HCBARN
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009883905	569251500	/nfs/dbraw/zinc/25/15/00/569251500.db2.gz	URYGYMXTDNSTSG-UHFFFAOYSA-N	0	0	407.404	0.758	50	5		HCBARN
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009963551	571293075	/nfs/dbraw/zinc/29/30/75/571293075.db2.gz	KKFGFLGEDHRGLC-UHFFFAOYSA-N	0	0	421.431	0.687	50	5		HCBARN
COc1ccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000009971581	569394672	/nfs/dbraw/zinc/39/46/72/569394672.db2.gz	VYQPGDRNRXLGFL-UHFFFAOYSA-N	0	0	415.449	0.772	50	5		HCBARN
CC(C)NS(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000010044548	132344863	/nfs/dbraw/zinc/34/48/63/132344863.db2.gz	UTRWMUBRFMQTOF-UHFFFAOYSA-N	0	0	420.513	0.800	50	5		HCBARN
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000010128958	569395169	/nfs/dbraw/zinc/39/51/69/569395169.db2.gz	AJSTUDWWJSZGIA-CYBMUJFWSA-N	0	0	408.436	0.752	50	5		HCBARN
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000010128960	569395191	/nfs/dbraw/zinc/39/51/91/569395191.db2.gz	AJSTUDWWJSZGIA-ZDUSSCGKSA-N	0	0	408.436	0.752	50	5		HCBARN
CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010129087	569395310	/nfs/dbraw/zinc/39/53/10/569395310.db2.gz	KGEDZAMPVRMRPI-CYBMUJFWSA-N	0	0	408.436	0.752	50	5		HCBARN
CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010129090	569395313	/nfs/dbraw/zinc/39/53/13/569395313.db2.gz	KGEDZAMPVRMRPI-ZDUSSCGKSA-N	0	0	408.436	0.752	50	5		HCBARN
Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c1n(C)c(=O)n(C)c2=O	ZINC000010166201	571295711	/nfs/dbraw/zinc/29/57/11/571295711.db2.gz	NUAOGEZNXNRDCI-UHFFFAOYSA-N	0	0	404.408	0.610	50	5		HCBARN
Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2c1n(C)c(=O)n(C)c2=O	ZINC000010166205	527083888	/nfs/dbraw/zinc/08/38/88/527083888.db2.gz	CEPWYMDXSYQXNC-UHFFFAOYSA-N	0	0	404.408	0.610	50	5		HCBARN
Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2c1n(C)c(=O)n(C)c2=O	ZINC000010166211	571295713	/nfs/dbraw/zinc/29/57/13/571295713.db2.gz	ZZKOOHYIRIQEPJ-UHFFFAOYSA-N	0	0	404.408	0.610	50	5		HCBARN
Cn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2c1n(C)c(=O)n(C)c2=O	ZINC000010166214	571295687	/nfs/dbraw/zinc/29/56/87/571295687.db2.gz	IRYQFGOWWMZDBU-UHFFFAOYSA-N	0	0	422.398	0.749	50	5		HCBARN
NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000010326848	571300390	/nfs/dbraw/zinc/30/03/90/571300390.db2.gz	ZNYJTLKTSMEABE-UHFFFAOYSA-N	0	0	410.383	0.679	50	5		HCBARN
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000010386081	569254422	/nfs/dbraw/zinc/25/44/22/569254422.db2.gz	KNXHCKCNCGWSAZ-LBPRGKRZSA-N	0	0	418.410	0.593	50	5		HCBARN
CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000010386083	569254436	/nfs/dbraw/zinc/25/44/36/569254436.db2.gz	KNXHCKCNCGWSAZ-GFCCVEGCSA-N	0	0	418.410	0.593	50	5		HCBARN
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O	ZINC000011565750	559110353	/nfs/dbraw/zinc/11/03/53/559110353.db2.gz	OFNYCRLNCOXZRA-LBPRGKRZSA-N	0	0	419.346	0.214	50	5		HCBARN
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O	ZINC000011565751	559110348	/nfs/dbraw/zinc/11/03/48/559110348.db2.gz	OFNYCRLNCOXZRA-GFCCVEGCSA-N	0	0	419.346	0.214	50	5		HCBARN
Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2n1	ZINC000011758057	559257738	/nfs/dbraw/zinc/25/77/38/559257738.db2.gz	OZUKOPUDSGQLHJ-UHFFFAOYSA-N	0	0	416.419	0.975	50	5		HCBARN
CCOCC(=O)NCCn1ncc2c1ncn(Cc1cccc([N+](=O)[O-])c1)c2=O	ZINC000012071823	560888390	/nfs/dbraw/zinc/88/83/90/560888390.db2.gz	UKZPKSJLTIZENT-UHFFFAOYSA-N	0	0	400.395	0.702	50	5		HCBARN
O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000012163357	132355561	/nfs/dbraw/zinc/35/55/61/132355561.db2.gz	UGMCZXFCJCZINY-UHFFFAOYSA-N	0	0	423.451	0.855	50	5		HCBARN
O=C(NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])o1	ZINC000012164611	132355504	/nfs/dbraw/zinc/35/55/04/132355504.db2.gz	DISSTHFJVMMBOK-UHFFFAOYSA-N	0	0	424.439	0.250	50	5		HCBARN
COc1cccc(C(=O)NCCNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)c1	ZINC000012371536	569400524	/nfs/dbraw/zinc/40/05/24/569400524.db2.gz	VBCOHSNINPZMJB-UHFFFAOYSA-N	0	0	415.366	0.391	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000012379832	569400682	/nfs/dbraw/zinc/40/06/82/569400682.db2.gz	PHMDTYPSXBJNRO-GPINWOSQSA-N	0	0	416.342	0.860	50	5		HCBARN
CN1C2=C(C(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000012416649	569400984	/nfs/dbraw/zinc/40/09/84/569400984.db2.gz	IOYSJEXGDAABJA-DOMZBBRYSA-N	0	0	406.420	0.574	50	5		HCBARN
CN1C2=C(C(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000012416651	569401001	/nfs/dbraw/zinc/40/10/01/569401001.db2.gz	IOYSJEXGDAABJA-IUODEOHRSA-N	0	0	406.420	0.574	50	5		HCBARN
CN1C2=C(C(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000012416653	569400954	/nfs/dbraw/zinc/40/09/54/569400954.db2.gz	IOYSJEXGDAABJA-WFASDCNBSA-N	0	0	406.420	0.574	50	5		HCBARN
CN1C2=C(C(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O	ZINC000012416654	569400970	/nfs/dbraw/zinc/40/09/70/569400970.db2.gz	IOYSJEXGDAABJA-SWLSCSKDSA-N	0	0	406.420	0.574	50	5		HCBARN
Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2nc(N)nc(N(C)C)n2)n1C	ZINC000012427686	569401198	/nfs/dbraw/zinc/40/11/98/569401198.db2.gz	JLBOIAONPGCJJL-UHFFFAOYSA-N	0	0	405.448	0.402	50	5		HCBARN
Cc1nn2c(nc(=O)c3cc(S(=O)(=O)N4CCOCC4)cc([N+](=O)[O-])c32)s1	ZINC000012427698	569382453	/nfs/dbraw/zinc/38/24/53/569382453.db2.gz	LYKPHEMBJVQDMM-UHFFFAOYSA-N	0	0	411.421	0.542	50	5		HCBARN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)c1	ZINC000012428861	569401216	/nfs/dbraw/zinc/40/12/16/569401216.db2.gz	UWLAVLOZLRLALS-UHFFFAOYSA-N	0	0	418.497	0.632	50	5		HCBARN
O=C(NCCNC(=O)c1ccc(F)cc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	ZINC000012429029	569401212	/nfs/dbraw/zinc/40/12/12/569401212.db2.gz	KVRNUWGMPITIRQ-UHFFFAOYSA-N	0	0	403.330	0.522	50	5		HCBARN
O=C(NCCNC(=O)c1ccc(F)cc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000012429030	569401176	/nfs/dbraw/zinc/40/11/76/569401176.db2.gz	LMIZVEUNVQOYTJ-UHFFFAOYSA-N	0	0	403.330	0.522	50	5		HCBARN
O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	ZINC000012429183	569401211	/nfs/dbraw/zinc/40/12/11/569401211.db2.gz	CRZJGLVCUURFLX-UHFFFAOYSA-N	0	0	417.357	0.450	50	5		HCBARN
O=C(Cc1ccc(F)cc1)NCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000012429184	569401206	/nfs/dbraw/zinc/40/12/06/569401206.db2.gz	ZSVMHOKVGXRPRC-UHFFFAOYSA-N	0	0	417.357	0.450	50	5		HCBARN
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCNC(=O)c2ccc(F)cc2)n1	ZINC000012446639	569401484	/nfs/dbraw/zinc/40/14/84/569401484.db2.gz	OZBLONMFQNXELB-UHFFFAOYSA-N	0	0	417.357	0.830	50	5		HCBARN
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCNC(=O)c2cccs2)n1	ZINC000012446642	569401401	/nfs/dbraw/zinc/40/14/01/569401401.db2.gz	OGCZWBCHOUAURF-UHFFFAOYSA-N	0	0	405.396	0.752	50	5		HCBARN
CCN(CC)S(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000012515355	535621434	/nfs/dbraw/zinc/62/14/34/535621434.db2.gz	XSNBSTCVBCRALD-UHFFFAOYSA-N	0	0	420.513	0.707	50	5		HCBARN
CN(C)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000012516380	568840654	/nfs/dbraw/zinc/84/06/54/568840654.db2.gz	BKAYDBBLIQXVAL-HNNXBMFYSA-N	0	0	412.468	0.673	50	5		HCBARN
CN(C)C(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000012516382	568840674	/nfs/dbraw/zinc/84/06/74/568840674.db2.gz	BKAYDBBLIQXVAL-OAHLLOKOSA-N	0	0	412.468	0.673	50	5		HCBARN
CNS(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1	ZINC000012522753	568842205	/nfs/dbraw/zinc/84/22/05/568842205.db2.gz	YIVRLLGAFBVUAQ-UHFFFAOYSA-N	0	0	400.438	0.762	50	5		HCBARN
CC[C@@H](C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000012526764	132361749	/nfs/dbraw/zinc/36/17/49/132361749.db2.gz	UQCSSZAXFHJQAP-CYBMUJFWSA-N	0	0	413.500	0.540	50	5		HCBARN
CC[C@H](C)NC(=O)CN1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1	ZINC000012526765	132361879	/nfs/dbraw/zinc/36/18/79/132361879.db2.gz	UQCSSZAXFHJQAP-ZDUSSCGKSA-N	0	0	413.500	0.540	50	5		HCBARN
O=C(C1CC1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000012527103	132361874	/nfs/dbraw/zinc/36/18/74/132361874.db2.gz	CITCGJNLKSDOEJ-UHFFFAOYSA-N	0	0	424.479	0.674	50	5		HCBARN
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCn2cnc([N+](=O)[O-])c2)CC1	ZINC000012552048	568853743	/nfs/dbraw/zinc/85/37/43/568853743.db2.gz	VCKIXTFJVKWBOH-UHFFFAOYSA-N	0	0	412.428	0.319	50	5		HCBARN
O=[N+]([O-])c1ccc(NCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012558131	568856448	/nfs/dbraw/zinc/85/64/48/568856448.db2.gz	QDKQVKLCOOGMRC-UHFFFAOYSA-N	0	0	400.457	0.360	50	5		HCBARN
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1	ZINC000012577348	568862596	/nfs/dbraw/zinc/86/25/96/568862596.db2.gz	UCFNRLZXQCINRG-UHFFFAOYSA-N	0	0	424.464	0.812	50	5		HCBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(N)=O)CC3)c([N+](=O)[O-])c2)CC1	ZINC000012594246	132364892	/nfs/dbraw/zinc/36/48/92/132364892.db2.gz	YVXSUPVWJWQPBQ-UHFFFAOYSA-N	0	0	411.484	0.233	50	5		HCBARN
CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000012775922	568954245	/nfs/dbraw/zinc/95/42/45/568954245.db2.gz	MCYPVADAFGFRMC-UHFFFAOYSA-N	0	0	413.456	0.055	50	5		HCBARN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1=O	ZINC000012792588	569403544	/nfs/dbraw/zinc/40/35/44/569403544.db2.gz	BXFHZROCSKAPAJ-UHFFFAOYSA-N	0	0	401.379	0.331	50	5		HCBARN
O=C([C@@H]1CCCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1)N1CCOCC1	ZINC000012815417	568989537	/nfs/dbraw/zinc/98/95/37/568989537.db2.gz	RDCVHQIZBGHIFN-CYBMUJFWSA-N	0	0	402.407	0.719	50	5		HCBARN
O=C([C@H]1CCCN(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1)N1CCOCC1	ZINC000012815420	568989561	/nfs/dbraw/zinc/98/95/61/568989561.db2.gz	RDCVHQIZBGHIFN-ZDUSSCGKSA-N	0	0	402.407	0.719	50	5		HCBARN
CCn1nnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	ZINC000012860894	132367907	/nfs/dbraw/zinc/36/79/07/132367907.db2.gz	OUOFJINLWPDCSO-UHFFFAOYSA-N	0	0	406.428	0.565	50	5		HCBARN
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000012861471	569011888	/nfs/dbraw/zinc/01/18/88/569011888.db2.gz	PBVALPLTXNGLGH-CYBMUJFWSA-N	0	0	417.871	0.958	50	5		HCBARN
O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000012861478	569011870	/nfs/dbraw/zinc/01/18/70/569011870.db2.gz	PBVALPLTXNGLGH-ZDUSSCGKSA-N	0	0	417.871	0.958	50	5		HCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000012870356	569013193	/nfs/dbraw/zinc/01/31/93/569013193.db2.gz	ZZBKKFKLIWCGPW-GFCCVEGCSA-N	0	0	419.481	0.217	50	5		HCBARN
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000012870364	569013207	/nfs/dbraw/zinc/01/32/07/569013207.db2.gz	ZZBKKFKLIWCGPW-LBPRGKRZSA-N	0	0	419.481	0.217	50	5		HCBARN
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCOCC2CC2)c([N+](=O)[O-])c1	ZINC000012871058	569013255	/nfs/dbraw/zinc/01/32/55/569013255.db2.gz	ZZSQWJAIYCJGFG-UHFFFAOYSA-N	0	0	421.497	0.940	50	5		HCBARN
C[C@@H]1CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000012885279	569019468	/nfs/dbraw/zinc/01/94/68/569019468.db2.gz	RJQCUEFWZXTEQR-GHMZBOCLSA-N	0	0	411.436	0.965	50	5		HCBARN
C[C@@H]1CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000012885290	569019475	/nfs/dbraw/zinc/01/94/75/569019475.db2.gz	RJQCUEFWZXTEQR-PHIMTYICSA-N	0	0	411.436	0.965	50	5		HCBARN
C[C@H]1CN(C(=O)COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)O1	ZINC000012885296	569019485	/nfs/dbraw/zinc/01/94/85/569019485.db2.gz	RJQCUEFWZXTEQR-QWRGUYRKSA-N	0	0	411.436	0.965	50	5		HCBARN
O=C1OCCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000012886676	569019522	/nfs/dbraw/zinc/01/95/22/569019522.db2.gz	HGCLUTXNWOVDQX-UHFFFAOYSA-N	0	0	401.397	0.447	50	5		HCBARN
C[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012916408	569022344	/nfs/dbraw/zinc/02/23/44/569022344.db2.gz	MNWNBJRPCPBBQQ-OLZOCXBDSA-N	0	0	410.452	0.200	50	5		HCBARN
C[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012916413	569022300	/nfs/dbraw/zinc/02/23/00/569022300.db2.gz	MNWNBJRPCPBBQQ-STQMWFEESA-N	0	0	410.452	0.200	50	5		HCBARN
C[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012916418	569022350	/nfs/dbraw/zinc/02/23/50/569022350.db2.gz	MNWNBJRPCPBBQQ-CHWSQXEVSA-N	0	0	410.452	0.200	50	5		HCBARN
C[C@H]1C[C@H]1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012916423	569022341	/nfs/dbraw/zinc/02/23/41/569022341.db2.gz	MNWNBJRPCPBBQQ-QWHCGFSZSA-N	0	0	410.452	0.200	50	5		HCBARN
COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1[N+](=O)[O-]	ZINC000012927793	569024022	/nfs/dbraw/zinc/02/40/22/569024022.db2.gz	JRAGHZJJGJVDAL-UHFFFAOYSA-N	0	0	421.435	0.608	50	5		HCBARN
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000012930108	569024142	/nfs/dbraw/zinc/02/41/42/569024142.db2.gz	PSRFPVYMDLTPBC-CQSZACIVSA-N	0	0	413.452	0.314	50	5		HCBARN
COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000012930116	569024105	/nfs/dbraw/zinc/02/41/05/569024105.db2.gz	PSRFPVYMDLTPBC-AWEZNQCLSA-N	0	0	413.452	0.314	50	5		HCBARN
CCCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000012995091	569406060	/nfs/dbraw/zinc/40/60/60/569406060.db2.gz	FKUULIREHNTICS-UHFFFAOYSA-N	0	0	405.455	0.385	50	5		HCBARN
Cn1c2nc(Br)n(CC(=O)c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000013014472	569406729	/nfs/dbraw/zinc/40/67/29/569406729.db2.gz	JPBCMFXNEXQSEL-UHFFFAOYSA-N	0	0	422.195	0.987	50	5		HCBARN
Cn1c2nc(Cl)n(Cc3cc([N+](=O)[O-])cc4c3OCOC4)c2c(=O)n(C)c1=O	ZINC000013100535	569409039	/nfs/dbraw/zinc/40/90/39/569409039.db2.gz	QFOPNPYVPPGXOZ-UHFFFAOYSA-N	0	0	407.770	0.910	50	5		HCBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000013130287	569211370	/nfs/dbraw/zinc/21/13/70/569211370.db2.gz	JLBWFBQHLPKCFD-UHFFFAOYSA-N	0	0	412.358	0.768	50	5		HCBARN
CCNc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-]	ZINC000013144442	569409722	/nfs/dbraw/zinc/40/97/22/569409722.db2.gz	BBQSMTMPNVJDLE-UHFFFAOYSA-N	0	0	410.408	0.995	50	5		HCBARN
Cn1c2ncn(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2c(=O)n(C)c1=O	ZINC000013534283	558836341	/nfs/dbraw/zinc/83/63/41/558836341.db2.gz	VPKPTDRWMGHRGS-UHFFFAOYSA-N	0	0	415.391	0.590	50	5		HCBARN
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000013628976	558551799	/nfs/dbraw/zinc/55/17/99/558551799.db2.gz	SIPXLIRJHGNHCF-JKSUJKDBSA-N	0	0	403.412	0.599	50	5		HCBARN
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000013628978	558551754	/nfs/dbraw/zinc/55/17/54/558551754.db2.gz	SIPXLIRJHGNHCF-HOTGVXAUSA-N	0	0	403.412	0.599	50	5		HCBARN
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000013628981	558551823	/nfs/dbraw/zinc/55/18/23/558551823.db2.gz	SIPXLIRJHGNHCF-HZPDHXFCSA-N	0	0	403.412	0.599	50	5		HCBARN
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000013628984	558551832	/nfs/dbraw/zinc/55/18/32/558551832.db2.gz	SIPXLIRJHGNHCF-CVEARBPZSA-N	0	0	403.412	0.599	50	5		HCBARN
O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1[N+](=O)[O-]	ZINC000013725948	569257504	/nfs/dbraw/zinc/25/75/04/569257504.db2.gz	SKTXBZXUMOEMTN-UHFFFAOYSA-N	0	0	419.463	0.872	50	5		HCBARN
O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000013725952	569257536	/nfs/dbraw/zinc/25/75/36/569257536.db2.gz	GBIYBPBZJKJJRI-UHFFFAOYSA-N	0	0	419.463	0.872	50	5		HCBARN
O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000013725956	569257521	/nfs/dbraw/zinc/25/75/21/569257521.db2.gz	JMDALLMBRLVXQW-UHFFFAOYSA-N	0	0	419.463	0.872	50	5		HCBARN
O=C(COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1	ZINC000013778491	558868642	/nfs/dbraw/zinc/86/86/42/558868642.db2.gz	LQQDOOCIAKRJMF-BXUZGUMPSA-N	0	0	423.403	0.473	50	5		HCBARN
O=C(COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc[nH]1	ZINC000013778494	558868649	/nfs/dbraw/zinc/86/86/49/558868649.db2.gz	LQQDOOCIAKRJMF-SMDDNHRTSA-N	0	0	423.403	0.473	50	5		HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000013818312	560220567	/nfs/dbraw/zinc/22/05/67/560220567.db2.gz	DYCJFJRCWPVDHY-MBMVNNNZSA-N	0	0	419.419	0.638	50	5	biogenic,in-vitro	HCBARN
Cc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn12	ZINC000013847900	132459589	/nfs/dbraw/zinc/45/95/89/132459589.db2.gz	DAOJRAHCJQXMIF-UHFFFAOYSA-N	0	0	403.424	0.852	50	5		HCBARN
Cc1cc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c(=O)[nH]1	ZINC000013878775	558889961	/nfs/dbraw/zinc/88/99/61/558889961.db2.gz	WMALVBWGMRKQBU-UHFFFAOYSA-N	0	0	423.403	0.832	50	5		HCBARN
NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000014187836	559155729	/nfs/dbraw/zinc/15/57/29/559155729.db2.gz	OPEADBCTXFFBFE-UHFFFAOYSA-N	0	0	403.376	0.591	50	5		HCBARN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000014229444	559160900	/nfs/dbraw/zinc/16/09/00/559160900.db2.gz	ALLODWVGGUOZOO-UHFFFAOYSA-N	0	0	410.383	0.569	50	5		HCBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)cc1	ZINC000014237330	559161304	/nfs/dbraw/zinc/16/13/04/559161304.db2.gz	XWNDWIQZTHQOAT-UHFFFAOYSA-N	0	0	406.420	0.738	50	5		HCBARN
COc1ccc(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)cc1[N+](=O)[O-]	ZINC000014245568	559161482	/nfs/dbraw/zinc/16/14/82/559161482.db2.gz	TUXFPURXNAWMAA-UHFFFAOYSA-N	0	0	416.481	0.484	50	5		HCBARN
COc1ccccc1C(=O)NCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000015082088	568749888	/nfs/dbraw/zinc/74/98/88/568749888.db2.gz	UJQRCPMCWKEYFS-UHFFFAOYSA-N	0	0	415.366	0.391	50	5		HCBARN
O=C(Cc1ccccc1F)NCCNC(=O)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	ZINC000015082090	568749930	/nfs/dbraw/zinc/74/99/30/568749930.db2.gz	BXJLBBWOFKJDNF-UHFFFAOYSA-N	0	0	417.357	0.450	50	5		HCBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1nc(-c2ccccc2F)no1	ZINC000015082735	568749903	/nfs/dbraw/zinc/74/99/03/568749903.db2.gz	NAXWUWMOVKPDQB-UHFFFAOYSA-N	0	0	403.330	0.527	50	5		HCBARN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000015604358	558745854	/nfs/dbraw/zinc/74/58/54/558745854.db2.gz	CMCYRJTZFZUDBU-UHFFFAOYSA-N	0	0	410.383	0.569	50	5		HCBARN
CC(=O)O[C@@H]1CO[C@H](n2nnc3c2cccc3[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000015634826	568956504	/nfs/dbraw/zinc/95/65/04/568956504.db2.gz	KDIBGRIOEGKAKP-SIXLDLHFSA-N	0	0	422.350	0.663	50	5		HCBARN
CCOC(=O)N1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	ZINC000016213954	569029886	/nfs/dbraw/zinc/02/98/86/569029886.db2.gz	WBUXJVZVWCHRAO-UHFFFAOYSA-N	0	0	414.440	0.662	50	5		HCBARN
COCCCNC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000016276672	569030392	/nfs/dbraw/zinc/03/03/92/569030392.db2.gz	MNFXPLNCGRHIKK-UHFFFAOYSA-N	0	0	402.498	0.812	50	5		HCBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCC(C(N)=O)CC1)S(C)(=O)=O	ZINC000016393682	569040840	/nfs/dbraw/zinc/04/08/40/569040840.db2.gz	MHYHRVGQTMFXQT-UHFFFAOYSA-N	0	0	414.440	0.093	50	5		HCBARN
CCN1CCN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)CC1	ZINC000016448649	569051443	/nfs/dbraw/zinc/05/14/43/569051443.db2.gz	RLOZCBBTXGRDRM-UHFFFAOYSA-N	0	0	400.457	0.534	50	5		HCBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@@H](C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000016636367	569061122	/nfs/dbraw/zinc/06/11/22/569061122.db2.gz	BAFZPXDDVOGEMI-ZDUSSCGKSA-N	0	0	413.500	0.621	50	5		HCBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@H](C)C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000016636369	569061102	/nfs/dbraw/zinc/06/11/02/569061102.db2.gz	BAFZPXDDVOGEMI-CYBMUJFWSA-N	0	0	413.500	0.621	50	5		HCBARN
CN(CC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000016738242	569261922	/nfs/dbraw/zinc/26/19/22/569261922.db2.gz	JCMNZNPFYLYRHS-UHFFFAOYSA-N	0	0	412.468	0.674	50	5		HCBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000016738325	569261932	/nfs/dbraw/zinc/26/19/32/569261932.db2.gz	FAPOBADNEBECLH-UHFFFAOYSA-N	0	0	420.513	0.707	50	5		HCBARN
CCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccc(C)cn1c2=O	ZINC000016742598	558804319	/nfs/dbraw/zinc/80/43/19/558804319.db2.gz	JRTYWNWFGHFCGJ-UHFFFAOYSA-N	0	0	410.478	0.519	50	5		HCBARN
COC(=O)C(=O)c1c(C(=O)OC)nc2nnc(N)n2c1-c1cccc([N+](=O)[O-])c1	ZINC000016942712	569267812	/nfs/dbraw/zinc/26/78/12/569267812.db2.gz	DPCDHGHJBKBXFP-UHFFFAOYSA-N	0	0	400.307	0.424	50	5		HCBARN
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1	ZINC000016956673	569268314	/nfs/dbraw/zinc/26/83/14/569268314.db2.gz	CBZFVBWEOFIKJM-CYBMUJFWSA-N	0	0	417.378	0.150	50	5		HCBARN
CCOC(=O)[C@@H]1C[C@]2(C(=O)OC)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](C(=O)OC)ON2O1	ZINC000017111654	569274882	/nfs/dbraw/zinc/27/48/82/569274882.db2.gz	DYPBRIDEEAOSTL-WZTLGTBRSA-N	0	0	424.362	0.646	50	5		HCBARN
COC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000017148844	569275756	/nfs/dbraw/zinc/27/57/56/569275756.db2.gz	INYBAUBEMRQTRT-UHFFFAOYSA-N	0	0	417.403	0.868	50	5		HCBARN
CN(CC(=O)NC1CC1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000017282345	560705571	/nfs/dbraw/zinc/70/55/71/560705571.db2.gz	IKRMLGJGOVPCAS-UHFFFAOYSA-N	0	0	411.484	0.246	50	5		HCBARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000019593733	571314462	/nfs/dbraw/zinc/31/44/62/571314462.db2.gz	JDZZGQLQLNAOKI-IRXDYDNUSA-N	0	0	409.420	0.926	50	5		HCBARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000019593735	571314478	/nfs/dbraw/zinc/31/44/78/571314478.db2.gz	JDZZGQLQLNAOKI-SJORKVTESA-N	0	0	409.420	0.926	50	5		HCBARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000019593737	571314426	/nfs/dbraw/zinc/31/44/26/571314426.db2.gz	JDZZGQLQLNAOKI-DLBZAZTESA-N	0	0	409.420	0.926	50	5		HCBARN
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000019593739	571314523	/nfs/dbraw/zinc/31/45/23/571314523.db2.gz	JDZZGQLQLNAOKI-IAGOWNOFSA-N	0	0	409.420	0.926	50	5		HCBARN
COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)n1C	ZINC000019834734	569430851	/nfs/dbraw/zinc/43/08/51/569430851.db2.gz	HGUSPEBCQHTZAD-UHFFFAOYSA-N	0	0	409.424	0.626	50	5		HCBARN
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCN3CCOCC3)c2)CC1	ZINC000019849694	569431104	/nfs/dbraw/zinc/43/11/04/569431104.db2.gz	PCIXEAQSXJGDAF-UHFFFAOYSA-N	0	0	413.500	0.421	50	5		HCBARN
CS(=O)(=O)N(CC(=O)NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000020018631	568586149	/nfs/dbraw/zinc/58/61/49/568586149.db2.gz	FCEAJHDOAFJHCV-UHFFFAOYSA-N	0	0	400.457	0.199	50	5		HCBARN
CN(CCO)c1cc(N2CCN(c3ncccn3)CC2)c2nonc2c1[N+](=O)[O-]	ZINC000020108064	568588428	/nfs/dbraw/zinc/58/84/28/568588428.db2.gz	RLVOAWWXKGYTSZ-UHFFFAOYSA-N	0	0	400.399	0.676	50	5		HCBARN
CCOc1ccc(NC(=O)Cn2nnc(C(=O)OC)c2C(=O)OC)c([N+](=O)[O-])c1	ZINC000020131352	568589673	/nfs/dbraw/zinc/58/96/73/568589673.db2.gz	QXEDNPAKURLLKE-UHFFFAOYSA-N	0	0	407.339	0.797	50	5		HCBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(CC)CC2)cc1[N+](=O)[O-]	ZINC000020664799	568639546	/nfs/dbraw/zinc/63/95/46/568639546.db2.gz	CMMWHZPMTPNPLB-UHFFFAOYSA-N	0	0	413.452	0.709	50	5		HCBARN
Cn1c2ccccc2c(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O	ZINC000020756739	568641548	/nfs/dbraw/zinc/64/15/48/568641548.db2.gz	BWEYSHXAUGKLOY-UHFFFAOYSA-N	0	0	423.429	0.957	50	5		HCBARN
COCCN(CCOC)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000021633658	568725132	/nfs/dbraw/zinc/72/51/32/568725132.db2.gz	UJIZGELZIMUFFB-UHFFFAOYSA-N	0	0	404.445	0.166	50	5		HCBARN
CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C(N)=O)CC2)CC1	ZINC000022298907	568766106	/nfs/dbraw/zinc/76/61/06/568766106.db2.gz	FNXVBWQEINROBP-UHFFFAOYSA-N	0	0	411.484	0.233	50	5		HCBARN
CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O	ZINC000022428312	568767779	/nfs/dbraw/zinc/76/77/79/568767779.db2.gz	FLWSSOZTZHGAHB-UHFFFAOYSA-N	0	0	418.406	0.662	50	5		HCBARN
NC(=O)CSc1nnc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)s1	ZINC000023141565	559020510	/nfs/dbraw/zinc/02/05/10/559020510.db2.gz	YGJXBWDGVQVETB-UHFFFAOYSA-N	0	0	408.465	0.986	50	5		HCBARN
O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1N1CCOCC1	ZINC000023380651	559173583	/nfs/dbraw/zinc/17/35/83/559173583.db2.gz	ZGLWBDPNHVZRTG-UHFFFAOYSA-N	0	0	400.457	0.042	50	5		HCBARN
COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000024464228	560891176	/nfs/dbraw/zinc/89/11/76/560891176.db2.gz	GCAOKPYXXRSRJZ-UHFFFAOYSA-N	0	0	415.449	0.860	50	5		HCBARN
O=c1n2ccccc2nn1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000024527551	560843527	/nfs/dbraw/zinc/84/35/27/560843527.db2.gz	ZOALUUVLURDAFM-UHFFFAOYSA-N	0	0	418.435	0.368	50	5		HCBARN
CC1CCN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000024832734	568469858	/nfs/dbraw/zinc/46/98/58/568469858.db2.gz	XLMYYAQEYNGIPJ-UHFFFAOYSA-N	0	0	420.513	0.977	50	5		HCBARN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	ZINC000024834368	568469840	/nfs/dbraw/zinc/46/98/40/568469840.db2.gz	JUSFTSSVRGWQJR-UHFFFAOYSA-N	0	0	410.383	0.569	50	5		HCBARN
CNS(=O)(=O)c1ccc(NCCNS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1	ZINC000024841649	568470566	/nfs/dbraw/zinc/47/05/66/568470566.db2.gz	MKRZPEFAIKAKHS-UHFFFAOYSA-N	0	0	414.465	0.893	50	5		HCBARN
O=C(CCn1cnc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000024865725	526682186	/nfs/dbraw/zinc/68/21/86/526682186.db2.gz	NBKBYEQCXCIFAF-UHFFFAOYSA-N	0	0	401.379	0.895	50	5		HCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCN1CCOCC1	ZINC000025480845	527339892	/nfs/dbraw/zinc/33/98/92/527339892.db2.gz	WXLHEVLZFWTDCW-UHFFFAOYSA-N	0	0	400.457	0.360	50	5		HCBARN
CCCCn1nnnc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000026228400	569030626	/nfs/dbraw/zinc/03/06/26/569030626.db2.gz	OSGFCQLKSSCQHC-UHFFFAOYSA-N	0	0	409.472	0.888	50	5		HCBARN
COc1ccc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)cc1OC	ZINC000027053899	569072081	/nfs/dbraw/zinc/07/20/81/569072081.db2.gz	RXIIBJFTHWZXDY-UHFFFAOYSA-N	0	0	404.379	0.531	50	5		HCBARN
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(CC(=O)NCC(C)C)CC1	ZINC000027552278	569372436	/nfs/dbraw/zinc/37/24/36/569372436.db2.gz	MNVQSGDQVQEOKS-UHFFFAOYSA-N	0	0	407.471	0.932	50	5		HCBARN
Cc1nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1[N+](=O)[O-]	ZINC000029167993	568821261	/nfs/dbraw/zinc/82/12/61/568821261.db2.gz	MJFIMJVUIYABKS-CHWSQXEVSA-N	0	0	416.504	0.337	50	5		HCBARN
Cc1nn(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1[N+](=O)[O-]	ZINC000029167997	568821239	/nfs/dbraw/zinc/82/12/39/568821239.db2.gz	MJFIMJVUIYABKS-BETUJISGSA-N	0	0	416.504	0.337	50	5		HCBARN
Cc1nn(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1[N+](=O)[O-]	ZINC000029168004	568821349	/nfs/dbraw/zinc/82/13/49/568821349.db2.gz	MJFIMJVUIYABKS-STQMWFEESA-N	0	0	416.504	0.337	50	5		HCBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(c2ncccn2)CC1	ZINC000030004149	568855365	/nfs/dbraw/zinc/85/53/65/568855365.db2.gz	MMXHMYMKGXPIAB-UHFFFAOYSA-N	0	0	406.468	0.875	50	5		HCBARN
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000031708418	568929371	/nfs/dbraw/zinc/92/93/71/568929371.db2.gz	SMMRATBUAXUKMI-CYBMUJFWSA-N	0	0	417.871	0.958	50	5		HCBARN
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000031708424	568929438	/nfs/dbraw/zinc/92/94/38/568929438.db2.gz	SMMRATBUAXUKMI-ZDUSSCGKSA-N	0	0	417.871	0.958	50	5		HCBARN
O=c1nc2n(CC[NH+](CCO)CCO)c3cc(Cl)c(Cl)cc3nc-2c(=O)[n-]1	ZINC000031947207	569012721	/nfs/dbraw/zinc/01/27/21/569012721.db2.gz	GKYCCOBALDWOCX-UHFFFAOYSA-N	0	0	414.249	0.590	50	5		HCBARN
CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O	ZINC000032789096	525133172	/nfs/dbraw/zinc/13/31/72/525133172.db2.gz	GPXCNUVXLQMBIZ-JTQLQIEISA-N	0	0	402.360	0.028	50	5		HCBARN
CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O	ZINC000032789101	525134640	/nfs/dbraw/zinc/13/46/40/525134640.db2.gz	GPXCNUVXLQMBIZ-SNVBAGLBSA-N	0	0	402.360	0.028	50	5		HCBARN
C[C@@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032809660	525064356	/nfs/dbraw/zinc/06/43/56/525064356.db2.gz	FPHBYWYODJXHID-GFCCVEGCSA-N	0	0	410.452	0.342	50	5		HCBARN
C[C@H](NC(=O)C1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032809661	524905336	/nfs/dbraw/zinc/90/53/36/524905336.db2.gz	FPHBYWYODJXHID-LBPRGKRZSA-N	0	0	410.452	0.342	50	5		HCBARN
CS(=O)(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(C4CC4)C3=O)CC2)c([N+](=O)[O-])c1	ZINC000032869591	525253048	/nfs/dbraw/zinc/25/30/48/525253048.db2.gz	WOCKCZJHGURPAE-MRXNPFEDSA-N	0	0	422.463	0.410	50	5		HCBARN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCN1CCOCC1)OCCCO2	ZINC000032895323	527340621	/nfs/dbraw/zinc/34/06/21/527340621.db2.gz	HLAJSXBKPDQZCI-UHFFFAOYSA-N	0	0	401.441	0.757	50	5		HCBARN
O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2CCOCC2)CC1	ZINC000032900573	526515329	/nfs/dbraw/zinc/51/53/29/526515329.db2.gz	ZKTXJQOBCUFXCI-UHFFFAOYSA-N	0	0	405.455	0.400	50	5		HCBARN
Cc1n[nH]c(=O)c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C	ZINC000032911686	526481302	/nfs/dbraw/zinc/48/13/02/526481302.db2.gz	PJKBZHXISXEGDT-UHFFFAOYSA-N	0	0	421.435	0.442	50	5		HCBARN
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1	ZINC000032915618	527295068	/nfs/dbraw/zinc/29/50/68/527295068.db2.gz	UGAPIPNYWILUAK-UHFFFAOYSA-N	0	0	418.431	0.897	50	5		HCBARN
CCOC(=O)N(C)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000032921989	520921117	/nfs/dbraw/zinc/92/11/17/520921117.db2.gz	QXDZYUGWUMMKCA-UHFFFAOYSA-N	0	0	402.429	0.615	50	5		HCBARN
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)o1	ZINC000032924874	527072560	/nfs/dbraw/zinc/07/25/60/527072560.db2.gz	HETYDVZLHWTBJV-UHFFFAOYSA-N	0	0	408.392	0.433	50	5		HCBARN
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1	ZINC000032924876	527072978	/nfs/dbraw/zinc/07/29/78/527072978.db2.gz	WZYUOBIMNMBNSC-UHFFFAOYSA-N	0	0	408.392	0.433	50	5		HCBARN
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1	ZINC000032924877	527072290	/nfs/dbraw/zinc/07/22/90/527072290.db2.gz	NMKYWLJLLIABFV-UHFFFAOYSA-N	0	0	408.392	0.433	50	5		HCBARN
CNS(=O)(=O)c1ccc(NCCc2ccc(S(N)(=O)=O)s2)c([N+](=O)[O-])c1	ZINC000032927092	522290954	/nfs/dbraw/zinc/29/09/54/522290954.db2.gz	YIJVJMNFEVNOSZ-UHFFFAOYSA-N	0	0	420.494	0.866	50	5		HCBARN
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000034807838	568827718	/nfs/dbraw/zinc/82/77/18/568827718.db2.gz	DIBHATPKLFUSBU-UHFFFAOYSA-N	0	0	416.390	0.883	50	5		HCBARN
COCCN(CCOC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000034868090	568829587	/nfs/dbraw/zinc/82/95/87/568829587.db2.gz	NERUXRGPWKHETP-UHFFFAOYSA-N	0	0	416.500	0.630	50	5		HCBARN
CCCn1c(N)c(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)[nH]c1=O	ZINC000034874273	535590294	/nfs/dbraw/zinc/59/02/94/535590294.db2.gz	ISQYWCSFPHPQDI-UHFFFAOYSA-N	0	0	416.438	0.442	50	5		HCBARN
Cn1cc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cn1	ZINC000036007051	569076158	/nfs/dbraw/zinc/07/61/58/569076158.db2.gz	YMMDMDASHRCOHY-UHFFFAOYSA-N	0	0	408.440	0.273	50	5		HCBARN
Cc1c(S(=O)(=O)N2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cnn1C	ZINC000036007142	569076139	/nfs/dbraw/zinc/07/61/39/569076139.db2.gz	UERVBUKQYTVDGV-UHFFFAOYSA-N	0	0	422.467	0.582	50	5		HCBARN
Cc1nnc(-n2ccc3nc4ccn(CCN5CCOCC5)c(=O)c4cc3c2=O)[nH]1	ZINC000036365622	558799480	/nfs/dbraw/zinc/79/94/80/558799480.db2.gz	TUTBHAMAOWUPOK-UHFFFAOYSA-N	0	0	407.434	0.459	50	5		HCBARN
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1	ZINC000036387495	527353614	/nfs/dbraw/zinc/35/36/14/527353614.db2.gz	DYCJFJRCWPVDHY-LRCAOYNASA-N	0	0	419.419	0.638	50	5	biogenic,in-vitro	HCBARN
CNS(=O)(=O)c1ccc(NC2CCN(CC(=O)NC(C)C)CC2)c([N+](=O)[O-])c1	ZINC000036394040	569168398	/nfs/dbraw/zinc/16/83/98/569168398.db2.gz	WPSZQNBHLQYIGP-UHFFFAOYSA-N	0	0	413.500	0.904	50	5		HCBARN
COc1nn(CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]	ZINC000036614604	569206734	/nfs/dbraw/zinc/20/67/34/569206734.db2.gz	AXBTZZZHGOSZPE-UHFFFAOYSA-N	0	0	409.424	0.905	50	5		HCBARN
CNS(=O)(=O)c1ccc(N2CCCN(CC(=O)NC(C)C)CC2)c([N+](=O)[O-])c1	ZINC000036734431	569226529	/nfs/dbraw/zinc/22/65/29/569226529.db2.gz	VSTSVAVIXSQEBO-UHFFFAOYSA-N	0	0	413.500	0.540	50	5		HCBARN
Cc1nnc(C)n1-n1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000038829304	558816227	/nfs/dbraw/zinc/81/62/27/558816227.db2.gz	JKKCHYPAVZWFDK-UHFFFAOYSA-N	0	0	421.461	0.563	50	5		HCBARN
CCOc1ccc(C(=O)N2CCN(CC(=O)NCCCOC)CC2)cc1[N+](=O)[O-]	ZINC000039996398	571136654	/nfs/dbraw/zinc/13/66/54/571136654.db2.gz	MKYZYPOOSUVLJK-UHFFFAOYSA-N	0	0	408.455	0.904	50	5		HCBARN
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	ZINC000040012858	571138406	/nfs/dbraw/zinc/13/84/06/571138406.db2.gz	WALVZUDJRCZGOL-MRXNPFEDSA-N	0	0	424.435	0.407	50	5		HCBARN
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	ZINC000040012859	571138289	/nfs/dbraw/zinc/13/82/89/571138289.db2.gz	WALVZUDJRCZGOL-INIZCTEOSA-N	0	0	424.435	0.407	50	5		HCBARN
CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000040050083	571143944	/nfs/dbraw/zinc/14/39/44/571143944.db2.gz	HABIKIHXBGPFCS-UHFFFAOYSA-N	0	0	418.406	0.921	50	5		HCBARN
CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cc([N+](=O)[O-])cc(C(N)=O)c1=O	ZINC000040050085	571143933	/nfs/dbraw/zinc/14/39/33/571143933.db2.gz	GZZVLZDVFLRSHF-UHFFFAOYSA-N	0	0	402.363	0.633	50	5		HCBARN
CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc1	ZINC000040051199	571144968	/nfs/dbraw/zinc/14/49/68/571144968.db2.gz	ZBSDQOKQIZHERG-UHFFFAOYSA-N	0	0	405.436	0.860	50	5		HCBARN
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1	ZINC000040072481	571152997	/nfs/dbraw/zinc/15/29/97/571152997.db2.gz	SBYBDHYKKMHEDA-OKILXGFUSA-N	0	0	412.468	0.707	50	5		HCBARN
C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1	ZINC000040072482	571153032	/nfs/dbraw/zinc/15/30/32/571153032.db2.gz	SBYBDHYKKMHEDA-KBPBESRZSA-N	0	0	412.468	0.707	50	5		HCBARN
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1	ZINC000040072483	571153037	/nfs/dbraw/zinc/15/30/37/571153037.db2.gz	SBYBDHYKKMHEDA-ZIAGYGMSSA-N	0	0	412.468	0.707	50	5		HCBARN
CCOC(=O)c1cc(C(=O)NCCc2nc(N)nc(N(C)C)n2)cc([N+](=O)[O-])c1	ZINC000040072503	571153063	/nfs/dbraw/zinc/15/30/63/571153063.db2.gz	CKWLCYMUROKXAI-UHFFFAOYSA-N	0	0	403.399	0.577	50	5		HCBARN
O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000040073914	571154177	/nfs/dbraw/zinc/15/41/77/571154177.db2.gz	WEKYKLYGYHDBHN-CYBMUJFWSA-N	0	0	411.436	0.079	50	5		HCBARN
O=C(COc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000040073915	571154048	/nfs/dbraw/zinc/15/40/48/571154048.db2.gz	WEKYKLYGYHDBHN-ZDUSSCGKSA-N	0	0	411.436	0.079	50	5		HCBARN
CN1CCN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CC1	ZINC000040083157	571156573	/nfs/dbraw/zinc/15/65/73/571156573.db2.gz	IRPKAVPWLXVGGE-UHFFFAOYSA-N	0	0	420.495	0.757	50	5		HCBARN
O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc([N+](=O)[O-])c1	ZINC000040089789	571159706	/nfs/dbraw/zinc/15/97/06/571159706.db2.gz	WFPYQJCTHGJUBC-UHFFFAOYSA-N	0	0	404.404	0.968	50	5		HCBARN
Cc1cc(=O)c(C(=O)NCCCN(C)S(C)(=O)=O)nn1-c1ccccc1[N+](=O)[O-]	ZINC000040090824	571160912	/nfs/dbraw/zinc/16/09/12/571160912.db2.gz	XHKXCNQXLACKBW-UHFFFAOYSA-N	0	0	423.451	0.460	50	5		HCBARN
O=[N+]([O-])c1cccc(OCCN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1	ZINC000040105786	571166413	/nfs/dbraw/zinc/16/64/13/571166413.db2.gz	LUZYSJSEBPZOOZ-UHFFFAOYSA-N	0	0	400.457	0.168	50	5		HCBARN
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000040115374	571172998	/nfs/dbraw/zinc/17/29/98/571172998.db2.gz	FNWDWCFAQWXTOJ-OLZOCXBDSA-N	0	0	418.269	0.947	50	5		HCBARN
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000040115376	571173060	/nfs/dbraw/zinc/17/30/60/571173060.db2.gz	FNWDWCFAQWXTOJ-STQMWFEESA-N	0	0	418.269	0.947	50	5		HCBARN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000040115378	571173131	/nfs/dbraw/zinc/17/31/31/571173131.db2.gz	FNWDWCFAQWXTOJ-CHWSQXEVSA-N	0	0	418.269	0.947	50	5		HCBARN
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000040115380	571173114	/nfs/dbraw/zinc/17/31/14/571173114.db2.gz	FNWDWCFAQWXTOJ-QWHCGFSZSA-N	0	0	418.269	0.947	50	5		HCBARN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CNS(C)(=O)=O	ZINC000040122998	571178737	/nfs/dbraw/zinc/17/87/37/571178737.db2.gz	WIJNGTSWDKBCFP-GFCCVEGCSA-N	0	0	407.470	0.696	50	5		HCBARN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CNS(C)(=O)=O	ZINC000040122999	571178725	/nfs/dbraw/zinc/17/87/25/571178725.db2.gz	WIJNGTSWDKBCFP-LBPRGKRZSA-N	0	0	407.470	0.696	50	5		HCBARN
O=C(CCNc1ncccn1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000040143478	571193828	/nfs/dbraw/zinc/19/38/28/571193828.db2.gz	ZCNOOBUHYCYGAJ-UHFFFAOYSA-N	0	0	420.451	0.720	50	5		HCBARN
Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)no1	ZINC000040144117	571194496	/nfs/dbraw/zinc/19/44/96/571194496.db2.gz	VLVFFBWKCXXAEJ-UHFFFAOYSA-N	0	0	423.407	0.363	50	5		HCBARN
CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2[N+](=O)[O-])CC1	ZINC000040150094	571198539	/nfs/dbraw/zinc/19/85/39/571198539.db2.gz	HVQGOGVZLWFXJU-OAHLLOKOSA-N	0	0	403.439	0.662	50	5		HCBARN
CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2[N+](=O)[O-])CC1	ZINC000040150095	571198500	/nfs/dbraw/zinc/19/85/00/571198500.db2.gz	HVQGOGVZLWFXJU-HNNXBMFYSA-N	0	0	403.439	0.662	50	5		HCBARN
Nc1c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc(F)cc1[N+](=O)[O-]	ZINC000040152811	571200301	/nfs/dbraw/zinc/20/03/01/571200301.db2.gz	GCLJLBSMLYNRGV-UHFFFAOYSA-N	0	0	409.399	0.858	50	5		HCBARN
O=c1c2cc3c(ccn(-c4nc[nH]n4)c3=O)nc2ccn1CCCN1CCOCC1	ZINC000040372882	527462836	/nfs/dbraw/zinc/46/28/36/527462836.db2.gz	GKMKYXSYODVMMG-UHFFFAOYSA-N	0	0	407.434	0.541	50	5		HCBARN
Cc1nnc(-n2ccc3nc4ccn(CCCN5CCOCC5)c(=O)c4cc3c2=O)[nH]1	ZINC000040372885	526478474	/nfs/dbraw/zinc/47/84/74/526478474.db2.gz	DLMAFLDTLGNQDH-UHFFFAOYSA-N	0	0	421.461	0.849	50	5		HCBARN
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CN2CCOCC2)CC1	ZINC000048365911	568441843	/nfs/dbraw/zinc/44/18/43/568441843.db2.gz	ITPJBBMBBCXNOL-UHFFFAOYSA-N	0	0	406.439	0.752	50	5		HCBARN
O=C(CN1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)N1CCOCC1	ZINC000054959727	569369029	/nfs/dbraw/zinc/36/90/29/569369029.db2.gz	RELFJANSUSXLMY-UHFFFAOYSA-N	0	0	419.482	0.412	50	5		HCBARN
Cc1nonc1OCCN1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1	ZINC000055231662	569395300	/nfs/dbraw/zinc/39/53/00/569395300.db2.gz	IXYOIVZPVGUAFB-UHFFFAOYSA-N	0	0	417.426	0.678	50	5		HCBARN
CC1CCN(S(=O)(=O)c2ccc(N3CCN[C@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1	ZINC000057418841	568834418	/nfs/dbraw/zinc/83/44/18/568834418.db2.gz	DZWCDTWJJPQPBZ-AWEZNQCLSA-N	0	0	411.484	0.279	50	5		HCBARN
CC1CCN(S(=O)(=O)c2ccc(N3CCN[C@@H](C(N)=O)C3)c([N+](=O)[O-])c2)CC1	ZINC000057418845	568834495	/nfs/dbraw/zinc/83/44/95/568834495.db2.gz	DZWCDTWJJPQPBZ-CQSZACIVSA-N	0	0	411.484	0.279	50	5		HCBARN
Nc1nc(NCCOCCO)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000057439922	568836888	/nfs/dbraw/zinc/83/68/88/568836888.db2.gz	HZAAQOQBZPNBRS-UHFFFAOYSA-N	0	0	417.470	0.710	50	5		HCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1	ZINC000057990997	568873238	/nfs/dbraw/zinc/87/32/38/568873238.db2.gz	WEXBJEHBHRIWLT-UHFFFAOYSA-N	0	0	412.449	0.685	50	5		HCBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1	ZINC000057992996	568873384	/nfs/dbraw/zinc/87/33/84/568873384.db2.gz	OMHNWTDPODTREJ-UHFFFAOYSA-N	0	0	412.449	0.685	50	5		HCBARN
C[C@@H]1CN(S(=O)(=O)CCNc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000058004352	568874534	/nfs/dbraw/zinc/87/45/34/568874534.db2.gz	SOPMWZQQVLEGNJ-TXEJJXNPSA-N	0	0	421.497	0.849	50	5		HCBARN
C[C@H]1CN(S(=O)(=O)CCNc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000058004355	568874560	/nfs/dbraw/zinc/87/45/60/568874560.db2.gz	SOPMWZQQVLEGNJ-RYUDHWBXSA-N	0	0	421.497	0.849	50	5		HCBARN
C[C@@H]1CN(S(=O)(=O)CCNc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)C[C@@H](C)O1	ZINC000058004357	568874474	/nfs/dbraw/zinc/87/44/74/568874474.db2.gz	SOPMWZQQVLEGNJ-VXGBXAGGSA-N	0	0	421.497	0.849	50	5		HCBARN
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000058165922	568895199	/nfs/dbraw/zinc/89/51/99/568895199.db2.gz	BXNDCUCVYOMSIN-AATRIKPKSA-N	0	0	400.391	0.428	50	5		HCBARN
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(CCN2CCNC2=O)CC1	ZINC000058307483	568910216	/nfs/dbraw/zinc/91/02/16/568910216.db2.gz	LYONRASWDBQLLH-UHFFFAOYSA-N	0	0	416.482	0.978	50	5		HCBARN
COc1ccc(S(=O)(=O)NCc2cccc(CS(N)(=O)=O)c2)c([N+](=O)[O-])c1	ZINC000058425561	568917935	/nfs/dbraw/zinc/91/79/35/568917935.db2.gz	UHWVZHIEJYVIRQ-UHFFFAOYSA-N	0	0	415.449	0.870	50	5		HCBARN
C[C@@H](C(N)=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000072308118	558768459	/nfs/dbraw/zinc/76/84/59/558768459.db2.gz	FBNHRGWYDLJLGA-JTQLQIEISA-N	0	0	414.260	0.787	50	5		HCBARN
C[C@H](C(N)=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000072308119	558768749	/nfs/dbraw/zinc/76/87/49/558768749.db2.gz	FBNHRGWYDLJLGA-SNVBAGLBSA-N	0	0	414.260	0.787	50	5		HCBARN
COC(=O)[C@@H]1C[C@@H](O)[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000072309033	558772266	/nfs/dbraw/zinc/77/22/66/558772266.db2.gz	JXDLAJRCJWXXBP-AEGPPILISA-N	0	0	413.452	0.214	50	5		HCBARN
COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000072309035	558772200	/nfs/dbraw/zinc/77/22/00/558772200.db2.gz	JXDLAJRCJWXXBP-NWANDNLSSA-N	0	0	413.452	0.214	50	5		HCBARN
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCS(=O)(=O)Nc1ccccn1	ZINC000072314012	571308293	/nfs/dbraw/zinc/30/82/93/571308293.db2.gz	SVHNZIBMRQMGSH-UHFFFAOYSA-N	0	0	420.856	1.363	50	5		HCBARN
CCNC(=O)CN(CC)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000078705867	569417508	/nfs/dbraw/zinc/41/75/08/569417508.db2.gz	YRXIXFJZNYSFKU-UHFFFAOYSA-N	0	0	400.457	0.578	50	5		HCBARN
CC(C)(O)CSCCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000078823724	569420730	/nfs/dbraw/zinc/42/07/30/569420730.db2.gz	CTRKTIRMOUFBGZ-UHFFFAOYSA-N	0	0	420.513	0.665	50	5		HCBARN
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1)N1CCOCC1	ZINC000078903603	569421510	/nfs/dbraw/zinc/42/15/10/569421510.db2.gz	AYROUZZUQKOJPU-UHFFFAOYSA-N	0	0	419.438	0.532	50	5		HCBARN
COC(=O)C1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)CC1	ZINC000079099715	569427359	/nfs/dbraw/zinc/42/73/59/569427359.db2.gz	HZEAYYFPSPBXHP-UHFFFAOYSA-N	0	0	419.843	0.897	50	5		HCBARN
NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000084350866	568947121	/nfs/dbraw/zinc/94/71/21/568947121.db2.gz	JTXFAOCGGVFLET-UHFFFAOYSA-N	0	0	411.484	0.377	50	5		HCBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CC2CCS(=O)(=O)CC2)CC1	ZINC000089821222	569266524	/nfs/dbraw/zinc/26/65/24/569266524.db2.gz	ZACYUDSLQSZEHZ-UHFFFAOYSA-N	0	0	417.509	0.726	50	5		HCBARN
NS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1	ZINC000095393313	568604225	/nfs/dbraw/zinc/60/42/25/568604225.db2.gz	GJYHURYPDRBYFJ-UHFFFAOYSA-N	0	0	407.408	0.409	50	5		HCBARN
COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)Nc2nncs2)CC1	ZINC000095456940	568617940	/nfs/dbraw/zinc/61/79/40/568617940.db2.gz	VTVBZZNKJSFUHS-UHFFFAOYSA-N	0	0	406.424	0.994	50	5		HCBARN
CCn1nc(C)c([N+](=O)[O-])c1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000095462928	568621785	/nfs/dbraw/zinc/62/17/85/568621785.db2.gz	DYXAYNMFHUHGEU-UHFFFAOYSA-N	0	0	414.422	0.622	50	5		HCBARN
O=C(Cn1c2ccccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O)N1CCOCC1	ZINC000096317821	568727112	/nfs/dbraw/zinc/72/71/12/568727112.db2.gz	KQKJVCMKQWXHNJ-UHFFFAOYSA-N	0	0	410.386	0.919	50	5		HCBARN
O=C1[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCCN1CCO	ZINC000097095903	558991852	/nfs/dbraw/zinc/99/18/52/558991852.db2.gz	WCURPGRPQWWXAF-OAHLLOKOSA-N	0	0	412.468	0.775	50	5		HCBARN
O=C1[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCCN1CCO	ZINC000097095904	558991841	/nfs/dbraw/zinc/99/18/41/558991841.db2.gz	WCURPGRPQWWXAF-HNNXBMFYSA-N	0	0	412.468	0.775	50	5		HCBARN
O=C(NCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCc1ccco1	ZINC000097958249	558987240	/nfs/dbraw/zinc/98/72/40/558987240.db2.gz	NTPKTVQIQPMTQB-UHFFFAOYSA-N	0	0	415.450	0.738	50	5		HCBARN
O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN(C(=O)CN2C(=O)CCC2=O)CC1	ZINC000098009329	559018344	/nfs/dbraw/zinc/01/83/44/559018344.db2.gz	BXNDCUCVYOMSIN-WAYWQWQTSA-N	0	0	400.391	0.428	50	5		HCBARN
Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(=O)N2	ZINC000100229810	559180808	/nfs/dbraw/zinc/18/08/08/559180808.db2.gz	INXIGLRRBPJKMO-CQSZACIVSA-N	0	0	413.268	0.122	50	5		HCBARN
Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)c1cccc([N+](=O)[O-])c1)(C(F)(F)F)C(=O)N2	ZINC000100229812	559180810	/nfs/dbraw/zinc/18/08/10/559180810.db2.gz	INXIGLRRBPJKMO-AWEZNQCLSA-N	0	0	413.268	0.122	50	5		HCBARN
COCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627921	559245485	/nfs/dbraw/zinc/24/54/85/559245485.db2.gz	BQUAFNGNHUVOHY-AWEZNQCLSA-N	0	0	411.462	0.992	50	5		HCBARN
COCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c1nc1c(C)cccn1c2=O	ZINC000100627924	559245461	/nfs/dbraw/zinc/24/54/61/559245461.db2.gz	BQUAFNGNHUVOHY-CQSZACIVSA-N	0	0	411.462	0.992	50	5		HCBARN
COCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100627926	559245494	/nfs/dbraw/zinc/24/54/94/559245494.db2.gz	ZUGXZWUMWPFEOE-AWEZNQCLSA-N	0	0	411.462	0.992	50	5		HCBARN
COCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c1nc1ccc(C)cn1c2=O	ZINC000100627927	559245490	/nfs/dbraw/zinc/24/54/90/559245490.db2.gz	ZUGXZWUMWPFEOE-CQSZACIVSA-N	0	0	411.462	0.992	50	5		HCBARN
COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C[C@@H]2CCCO2)c1=N	ZINC000100870184	560760474	/nfs/dbraw/zinc/76/04/74/560760474.db2.gz	CZTYFEYZLZFRCJ-AWEZNQCLSA-N	0	0	411.462	0.992	50	5		HCBARN
COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C[C@H]2CCCO2)c1=N	ZINC000100870186	560760459	/nfs/dbraw/zinc/76/04/59/560760459.db2.gz	CZTYFEYZLZFRCJ-CQSZACIVSA-N	0	0	411.462	0.992	50	5		HCBARN
Cc1cccn2c1nc1c(cc(C(=O)NCc3cccnc3)c(=N)n1CCO)c2=O	ZINC000100871224	560760463	/nfs/dbraw/zinc/76/04/63/560760463.db2.gz	SCMRMIZLVNWBEC-UHFFFAOYSA-N	0	0	404.430	0.754	50	5		HCBARN
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101764644	560801091	/nfs/dbraw/zinc/80/10/91/560801091.db2.gz	PKEQVGROYARQMZ-CYBMUJFWSA-N	0	0	401.379	0.786	50	5		HCBARN
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764689	560801055	/nfs/dbraw/zinc/80/10/55/560801055.db2.gz	WOFQISBKCDBDQW-ZDUSSCGKSA-N	0	0	401.379	0.786	50	5		HCBARN
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764693	560801068	/nfs/dbraw/zinc/80/10/68/560801068.db2.gz	WOFQISBKCDBDQW-CYBMUJFWSA-N	0	0	401.379	0.786	50	5		HCBARN
CS(=O)(=O)c1ccc(N2CCN([C@H]3CC(=O)N(C4CC4)C3=O)CC2)c([N+](=O)[O-])c1	ZINC000102616407	560818177	/nfs/dbraw/zinc/81/81/77/560818177.db2.gz	WOCKCZJHGURPAE-INIZCTEOSA-N	0	0	422.463	0.410	50	5		HCBARN
COC(=O)[C@H]1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[C@@H](O)C1	ZINC000106922639	523980902	/nfs/dbraw/zinc/98/09/02/523980902.db2.gz	JXDLAJRCJWXXBP-CFVMTHIKSA-N	0	0	413.452	0.214	50	5		HCBARN
CC(=O)O[C@@H]1CO[C@H](n2nnc3c2cccc3[N+](=O)[O-])[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000107564295	560896890	/nfs/dbraw/zinc/89/68/90/560896890.db2.gz	KDIBGRIOEGKAKP-XBVQOTNRSA-N	0	0	422.350	0.663	50	5		HCBARN
CC(=O)O[C@@H]1CO[C@H](n2nnc3c2cccc3[N+](=O)[O-])[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000107564298	560896869	/nfs/dbraw/zinc/89/68/69/560896869.db2.gz	KDIBGRIOEGKAKP-IWCQGFGOSA-N	0	0	422.350	0.663	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	ZINC000169683547	569132752	/nfs/dbraw/zinc/13/27/52/569132752.db2.gz	ZCAJZEBWTXTYLJ-GJRWTSMGSA-N	0	0	416.342	0.860	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000169685354	569132774	/nfs/dbraw/zinc/13/27/74/569132774.db2.gz	PHMDTYPSXBJNRO-GJRWTSMGSA-N	0	0	416.342	0.860	50	5		HCBARN
CNC(=O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000170595673	569241652	/nfs/dbraw/zinc/24/16/52/569241652.db2.gz	QUCJXJRYLOITJE-CQSZACIVSA-N	0	0	400.457	0.678	50	5		HCBARN
CNC(=O)[C@H](CO)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-]	ZINC000170595674	569241673	/nfs/dbraw/zinc/24/16/73/569241673.db2.gz	QUCJXJRYLOITJE-AWEZNQCLSA-N	0	0	400.457	0.678	50	5		HCBARN
CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000170604988	569244555	/nfs/dbraw/zinc/24/45/55/569244555.db2.gz	FSRLUVBWNJXUBO-UHFFFAOYSA-N	0	0	423.469	0.331	50	5		HCBARN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nncn1C	ZINC000170606518	569244817	/nfs/dbraw/zinc/24/48/17/569244817.db2.gz	KDVOHUNMPCRLLM-LBPRGKRZSA-N	0	0	410.456	0.960	50	5		HCBARN
C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nncn1C	ZINC000170606519	569244774	/nfs/dbraw/zinc/24/47/74/569244774.db2.gz	KDVOHUNMPCRLLM-GFCCVEGCSA-N	0	0	410.456	0.960	50	5		HCBARN
COCn1nccc1S(=O)(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000170606676	569244779	/nfs/dbraw/zinc/24/47/79/569244779.db2.gz	RXCQWBIBUIJXFL-UHFFFAOYSA-N	0	0	400.413	0.933	50	5		HCBARN
CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1	ZINC000170613256	569246782	/nfs/dbraw/zinc/24/67/82/569246782.db2.gz	ITXPLBRWWWJEDK-AWEZNQCLSA-N	0	0	414.465	0.972	50	5		HCBARN
CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1	ZINC000170613257	569246789	/nfs/dbraw/zinc/24/67/89/569246789.db2.gz	ITXPLBRWWWJEDK-CQSZACIVSA-N	0	0	414.465	0.972	50	5		HCBARN
[NH3+]CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000170615015	569247272	/nfs/dbraw/zinc/24/72/72/569247272.db2.gz	GAFOLVHRGMBTKL-UHFFFAOYSA-N	0	0	400.438	0.633	50	5		HCBARN
CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)nc1	ZINC000170619869	569248197	/nfs/dbraw/zinc/24/81/97/569248197.db2.gz	NLEFAWYHJGROEC-UHFFFAOYSA-N	0	0	421.391	0.787	50	5		HCBARN
O=c1[nH]cnc2c1CN(c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC2	ZINC000170685846	569298536	/nfs/dbraw/zinc/29/85/36/569298536.db2.gz	JDBFKUWZNDDTKW-UHFFFAOYSA-N	0	0	421.435	0.262	50	5		HCBARN
CC(=O)N1CCN(c2ccc(C(=O)N(CCO)CC(F)F)cc2[N+](=O)[O-])CC1	ZINC000225430422	569395662	/nfs/dbraw/zinc/39/56/62/569395662.db2.gz	QUPSPDNXJLMQRZ-UHFFFAOYSA-N	0	0	400.382	0.963	50	5		HCBARN
CNC(=O)[C@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000225435467	569396689	/nfs/dbraw/zinc/39/66/89/569396689.db2.gz	UYFLBZNOSZLZMN-ZEPSKSRBSA-N	0	0	414.484	0.971	50	5		HCBARN
CNC(=O)[C@@H](O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000225435515	569396696	/nfs/dbraw/zinc/39/66/96/569396696.db2.gz	UYFLBZNOSZLZMN-PPUFBPAQSA-N	0	0	414.484	0.971	50	5		HCBARN
CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)(C(N)=O)C1	ZINC000225656577	568778100	/nfs/dbraw/zinc/77/81/00/568778100.db2.gz	CZCJNMMPDAZWMF-UHFFFAOYSA-N	0	0	414.440	0.489	50	5		HCBARN
COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1	ZINC000229381693	568945153	/nfs/dbraw/zinc/94/51/53/568945153.db2.gz	JXDLAJRCJWXXBP-QEJZJMRPSA-N	0	0	413.452	0.214	50	5		HCBARN
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N(C)C1=S	ZINC000230030491	568803092	/nfs/dbraw/zinc/80/30/92/568803092.db2.gz	PHOPZJRCRZXCIH-KSSFIOAISA-N	0	0	404.448	0.948	50	5		HCBARN
CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N(C)C1=S	ZINC000230030497	568803147	/nfs/dbraw/zinc/80/31/47/568803147.db2.gz	PHOPZJRCRZXCIH-KBXCAEBGSA-N	0	0	404.448	0.948	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000239259357	569231857	/nfs/dbraw/zinc/23/18/57/569231857.db2.gz	ZCAJZEBWTXTYLJ-CUYVQJCZSA-N	0	0	416.342	0.860	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	ZINC000239259358	569231874	/nfs/dbraw/zinc/23/18/74/569231874.db2.gz	ZCAJZEBWTXTYLJ-QZNHQWIBSA-N	0	0	416.342	0.860	50	5		HCBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCC(O)(C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000240465917	569247139	/nfs/dbraw/zinc/24/71/39/569247139.db2.gz	GBJAESVYCWUFAF-UHFFFAOYSA-N	0	0	400.457	0.442	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000245226864	571217362	/nfs/dbraw/zinc/21/73/62/571217362.db2.gz	PHMDTYPSXBJNRO-CUYVQJCZSA-N	0	0	416.342	0.860	50	5		HCBARN
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000245226865	571217485	/nfs/dbraw/zinc/21/74/85/571217485.db2.gz	PHMDTYPSXBJNRO-QZNHQWIBSA-N	0	0	416.342	0.860	50	5		HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1	ZINC000245237978	571218927	/nfs/dbraw/zinc/21/89/27/571218927.db2.gz	AUECOLJLUKVGAK-CWQOZTLDSA-N	0	0	410.354	0.738	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(Oc2ccc(F)cc2)c1	ZINC000245237979	571218902	/nfs/dbraw/zinc/21/89/02/571218902.db2.gz	AUECOLJLUKVGAK-DISONHOPSA-N	0	0	410.354	0.738	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1	ZINC000245237980	571218909	/nfs/dbraw/zinc/21/89/09/571218909.db2.gz	AUECOLJLUKVGAK-MDMSPXHWSA-N	0	0	410.354	0.738	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc(Oc2ccc(F)cc2)c1	ZINC000245237981	571218962	/nfs/dbraw/zinc/21/89/62/571218962.db2.gz	AUECOLJLUKVGAK-RSJGLCBASA-N	0	0	410.354	0.738	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1	ZINC000245238360	571218864	/nfs/dbraw/zinc/21/88/64/571218864.db2.gz	LWUWLBFOJMOOIA-CWQOZTLDSA-N	0	0	408.432	0.958	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(Sc2ccccc2)c1	ZINC000245238361	571218872	/nfs/dbraw/zinc/21/88/72/571218872.db2.gz	LWUWLBFOJMOOIA-DISONHOPSA-N	0	0	408.432	0.958	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1	ZINC000245238362	571218877	/nfs/dbraw/zinc/21/88/77/571218877.db2.gz	LWUWLBFOJMOOIA-MDMSPXHWSA-N	0	0	408.432	0.958	50	5	biogenic	HCBARN
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc(Sc2ccccc2)c1	ZINC000245238363	571218845	/nfs/dbraw/zinc/21/88/45/571218845.db2.gz	LWUWLBFOJMOOIA-RSJGLCBASA-N	0	0	408.432	0.958	50	5	biogenic	HCBARN
CCOC(=O)[C@@H]1C[C@]2(C(=O)OC)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H](C(=O)OC)ON2O1	ZINC000248266236	559269727	/nfs/dbraw/zinc/26/97/27/559269727.db2.gz	DYPBRIDEEAOSTL-MOROJQBDSA-N	0	0	424.362	0.646	50	5		HCBARN
CCOC(=O)[C@@H]1C[C@]2(C(=O)OC)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)OC)ON2O1	ZINC000248266239	559269705	/nfs/dbraw/zinc/26/97/05/559269705.db2.gz	DYPBRIDEEAOSTL-UYAYXHRUSA-N	0	0	424.362	0.646	50	5		HCBARN
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1	ZINC000248319357	559270452	/nfs/dbraw/zinc/27/04/52/559270452.db2.gz	QENNDIHQKKQBCK-IINYFYTJSA-N	0	0	416.390	0.651	50	5		HCBARN
O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1	ZINC000328593879	569415644	/nfs/dbraw/zinc/41/56/44/569415644.db2.gz	UQAIFCFQTUUREJ-UHFFFAOYSA-N	0	0	415.453	0.154	50	5		HCBARN
O=C([C@@H](c1ccccc1)n1cnnn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413307	559250591	/nfs/dbraw/zinc/25/05/91/559250591.db2.gz	KDVROUABVPNDPN-JCKWVBRZSA-N	0	0	421.417	0.978	50	5		HCBARN
O=C([C@H](c1ccccc1)n1cnnn1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413309	559250541	/nfs/dbraw/zinc/25/05/41/559250541.db2.gz	KDVROUABVPNDPN-JOQOYGCGSA-N	0	0	421.417	0.978	50	5	biogenic	HCBARN