smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000013540524	558842365	/nfs/dbraw/zinc/84/23/65/558842365.db2.gz	WMOIDSVFHDUYQF-RQXXJAGISA-N	1	0	418.409	2.026	50	5		HEBARO
C[NH+](C)CCO[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000083851124	568919748	/nfs/dbraw/zinc/91/97/48/568919748.db2.gz	DJNCBEOJASFYST-LLVKDONJSA-N	1	0	411.402	2.045	50	5		HEBARO
COc1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	ZINC000004029275	568934314	/nfs/dbraw/zinc/93/43/14/568934314.db2.gz	UARRPIJHFIVUNZ-SFHVURJKSA-N	1	0	410.454	2.130	50	5	biogenic	HEBARO
CC(=O)Nc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(F)cc1[N+](=O)[O-]	ZINC000012934695	569026148	/nfs/dbraw/zinc/02/61/48/569026148.db2.gz	ZZCKMEHZIPFURE-UHFFFAOYSA-N	1	0	402.430	2.451	50	5		HEBARO
C[NH+]1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)CC1	ZINC000004568848	558736501	/nfs/dbraw/zinc/73/65/01/558736501.db2.gz	ATNQPLWMPJIGRO-SFHVURJKSA-N	1	0	412.446	2.042	50	5		HEBARO
O=C(C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1	ZINC000025301556	568763384	/nfs/dbraw/zinc/76/33/84/568763384.db2.gz	MKVUIXZRHJCJJV-LJQANCHMSA-N	1	0	405.495	2.449	50	5		HEBARO
CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012521836	568841735	/nfs/dbraw/zinc/84/17/35/568841735.db2.gz	DOAOOEMKNJDRBR-OAHLLOKOSA-N	1	0	414.528	2.004	50	5		HEBARO
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)[NH+](C)C	ZINC000012522659	568842186	/nfs/dbraw/zinc/84/21/86/568842186.db2.gz	BCDIMUAOFGIFDZ-INIZCTEOSA-N	1	0	414.528	2.004	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000015975126	569025196	/nfs/dbraw/zinc/02/51/96/569025196.db2.gz	BSIKUHLEOMYPKY-VDNWNZSNSA-N	1	0	420.425	2.176	50	5		HEBARO
C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21	ZINC000036619154	569210463	/nfs/dbraw/zinc/21/04/63/569210463.db2.gz	JYFYJKPFVULVCD-CQSZACIVSA-N	1	0	409.450	2.304	50	5		HEBARO
COc1ccc([C@@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1	ZINC000012991323	569406132	/nfs/dbraw/zinc/40/61/32/569406132.db2.gz	XBTMAOLPWQRJMV-GOSISDBHSA-N	1	0	401.467	2.370	50	5		HEBARO
Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CC[NH+](C)CC2)cc1	ZINC000004850863	559190875	/nfs/dbraw/zinc/19/08/75/559190875.db2.gz	UMQWNKFPKRKGDF-FQEVSTJZSA-N	1	0	418.519	2.170	50	5		HEBARO
CCOC(=O)c1cn(C2CC2)c2cc(N3CC[NH2+][C@H](C)C3)c([N+](=O)[O-])cc2c1=O	ZINC000005332655	560566708	/nfs/dbraw/zinc/56/67/08/560566708.db2.gz	JEUZMXHMJRCEPB-GFCCVEGCSA-N	1	0	400.435	2.219	50	5		HEBARO
O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1	ZINC000002692824	568801223	/nfs/dbraw/zinc/80/12/23/568801223.db2.gz	ABLIITXQHKILBI-LEWJYISDSA-N	1	0	400.495	2.251	50	5		HEBARO
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000002798650	568809709	/nfs/dbraw/zinc/80/97/09/568809709.db2.gz	ZRBWGSFWOMJACR-AWEZNQCLSA-N	1	0	405.842	2.401	50	5		HEBARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229655681	568952854	/nfs/dbraw/zinc/95/28/54/568952854.db2.gz	PTAAMSSDVVNNBX-KCXPTXFHSA-N	1	0	418.409	2.026	50	5		HEBARO
CCn1cnnc1C1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000089310071	569058402	/nfs/dbraw/zinc/05/84/02/569058402.db2.gz	CCSCFUMHFIRVFW-UHFFFAOYSA-N	1	0	402.455	2.423	50	5		HEBARO
O=C1[C@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661420	132281490	/nfs/dbraw/zinc/28/14/90/132281490.db2.gz	YLMKDSYMYDJBSC-LJQANCHMSA-N	1	0	415.494	2.314	50	5		HEBARO
C[C@@H]1C[N@@H+](CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000012557643	132363806	/nfs/dbraw/zinc/36/38/06/132363806.db2.gz	YFLGQDIYZMCZSF-CALCHBBNSA-N	1	0	404.511	2.427	50	5		HEBARO
O=[N+]([O-])c1ccc(N2CCN(Cn3nc(C[NH+]4CCCC4)oc3=S)CC2)cc1	ZINC000024992203	568711265	/nfs/dbraw/zinc/71/12/65/568711265.db2.gz	VPGSDNIUPZUTAC-UHFFFAOYSA-N	1	0	404.496	2.489	50	5		HEBARO
C[NH+](C)CCO[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000083851126	568919702	/nfs/dbraw/zinc/91/97/02/568919702.db2.gz	DJNCBEOJASFYST-NSHDSACASA-N	1	0	411.402	2.045	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000015975124	569025174	/nfs/dbraw/zinc/02/51/74/569025174.db2.gz	BSIKUHLEOMYPKY-MSQSPTIYSA-N	1	0	420.425	2.176	50	5		HEBARO
C[C@H]([NH3+])C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)n2)CC1	ZINC000000797575	132232991	/nfs/dbraw/zinc/23/29/91/132232991.db2.gz	PJLDDCPFYCBMJO-AWEZNQCLSA-N	1	0	406.446	2.201	50	5		HEBARO
C[C@H]1C[NH+](CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000012557644	132363843	/nfs/dbraw/zinc/36/38/43/132363843.db2.gz	YFLGQDIYZMCZSF-IRXDYDNUSA-N	1	0	404.511	2.427	50	5		HEBARO
CNS(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)[NH+](C)C)c([N+](=O)[O-])c1	ZINC000005688411	560784053	/nfs/dbraw/zinc/78/40/53/560784053.db2.gz	QMPYDWJUXPTVJJ-GOSISDBHSA-N	1	0	408.480	2.226	50	5		HEBARO
COc1cccc(-n2c(CN3CC[NH+](C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000020155069	568591030	/nfs/dbraw/zinc/59/10/30/568591030.db2.gz	JYLIBJIOVCJEQL-UHFFFAOYSA-N	1	0	409.446	2.050	50	5		HEBARO
COC(=O)/C(=C\N1CSC(C)(C)[C@H]1C(=O)OC)C(=[NH2+])c1ccc([N+](=O)[O-])cc1	ZINC000137090775	568828731	/nfs/dbraw/zinc/82/87/31/568828731.db2.gz	JSLCMRWZQUDJPL-FYWVDQSDSA-N	1	0	407.448	2.346	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000138021619	569059649	/nfs/dbraw/zinc/05/96/49/569059649.db2.gz	BSIKUHLEOMYPKY-SUWCGCSTSA-N	1	0	420.425	2.176	50	5		HEBARO
O=C(CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000032903189	526488309	/nfs/dbraw/zinc/48/83/09/526488309.db2.gz	MOZLUIMGLYIILI-UHFFFAOYSA-N	1	0	408.462	2.389	50	5		HEBARO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000032827799	527375594	/nfs/dbraw/zinc/37/55/94/527375594.db2.gz	LOHLVSCRJAOYAS-UHFFFAOYSA-N	1	0	418.519	2.081	50	5		HEBARO
COC(=O)/C(=C/N1CSC(C)(C)[C@@H]1C(=O)OC)C(=[NH2+])c1ccc([N+](=O)[O-])cc1	ZINC000211038843	568756516	/nfs/dbraw/zinc/75/65/16/568756516.db2.gz	JSLCMRWZQUDJPL-BSVZOSEUSA-N	1	0	407.448	2.346	50	5		HEBARO
Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1[N+](=O)[O-]	ZINC000015589991	568952108	/nfs/dbraw/zinc/95/21/08/568952108.db2.gz	DMJLUFBGAHFBFW-IBGZPJMESA-N	1	0	421.457	2.482	50	5		HEBARO
O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661419	132281506	/nfs/dbraw/zinc/28/15/06/132281506.db2.gz	YLMKDSYMYDJBSC-IBGZPJMESA-N	1	0	415.494	2.314	50	5		HEBARO
C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895716	521934177	/nfs/dbraw/zinc/93/41/77/521934177.db2.gz	PDEUYYNLGXYLBG-UHFFFAOYSA-N	1	0	421.475	2.296	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	ZINC000248158397	559265614	/nfs/dbraw/zinc/26/56/14/559265614.db2.gz	FGMRIYXBKDSDSE-QLDGJZPUSA-N	1	0	420.425	2.176	50	5		HEBARO
Cc1cc(C(=O)NC2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)no1	ZINC000048302754	568437844	/nfs/dbraw/zinc/43/78/44/568437844.db2.gz	CIWAWJJPTCAVHJ-UHFFFAOYSA-N	1	0	415.450	2.423	50	5		HEBARO
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1	ZINC000095454424	568616158	/nfs/dbraw/zinc/61/61/58/568616158.db2.gz	PPOBEQFXYUUISV-UHFFFAOYSA-N	1	0	411.524	2.341	50	5		HEBARO
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c1ccc(C)cc1	ZINC000002290777	571049423	/nfs/dbraw/zinc/04/94/23/571049423.db2.gz	TVZQWOGCZGYREG-INIZCTEOSA-N	1	0	423.491	2.030	50	5		HEBARO
CCOC(=O)c1cn(C2CC2)c2cc(N3CC[NH2+][C@@H](C)C3)c([N+](=O)[O-])cc2c1=O	ZINC000005332661	560566734	/nfs/dbraw/zinc/56/67/34/560566734.db2.gz	JEUZMXHMJRCEPB-LBPRGKRZSA-N	1	0	400.435	2.219	50	5		HEBARO
O=C(NCc1ccccc1)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000025304889	568762390	/nfs/dbraw/zinc/76/23/90/568762390.db2.gz	QXGSIUGBICUSMU-FQEVSTJZSA-N	1	0	413.474	2.363	50	5		HEBARO
Cc1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1[N+](=O)[O-]	ZINC000048311075	568436783	/nfs/dbraw/zinc/43/67/83/568436783.db2.gz	FKWKKONXIBJDEE-UHFFFAOYSA-N	1	0	404.511	2.459	50	5		HEBARO
COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+]1CCCC1	ZINC000015128571	568775127	/nfs/dbraw/zinc/77/51/27/568775127.db2.gz	JWEDZLHKDOPZMP-KRWDZBQOSA-N	1	0	420.491	2.500	50	5		HEBARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229655693	568952942	/nfs/dbraw/zinc/95/29/42/568952942.db2.gz	PTAAMSSDVVNNBX-FBAVSBLXSA-N	1	0	418.409	2.026	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	ZINC000138117777	569065192	/nfs/dbraw/zinc/06/51/92/569065192.db2.gz	FGMRIYXBKDSDSE-SUWCGCSTSA-N	1	0	420.425	2.176	50	5		HEBARO
CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000041629251	521688822	/nfs/dbraw/zinc/68/88/22/521688822.db2.gz	IPWIMURQCMPYRB-UHFFFAOYSA-N	1	0	418.519	2.211	50	5		HEBARO
O=[N+]([O-])c1cccc(N(C[C@@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000004819818	559069106	/nfs/dbraw/zinc/06/91/06/559069106.db2.gz	QLMULAKCGDECQS-SFHVURJKSA-N	1	0	405.476	2.247	50	5		HEBARO
CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000100823484	560757542	/nfs/dbraw/zinc/75/75/42/560757542.db2.gz	NIYHZSGVFYRQFH-KRWDZBQOSA-N	1	0	413.434	2.112	50	5		HEBARO
O=C(C[N@H+](CCN1CCOCC1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000095446687	568612064	/nfs/dbraw/zinc/61/20/64/568612064.db2.gz	WJEYAJYVTTWLDA-UHFFFAOYSA-N	1	0	402.495	2.061	50	5		HEBARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229655671	568952902	/nfs/dbraw/zinc/95/29/02/568952902.db2.gz	PTAAMSSDVVNNBX-SUWCGCSTSA-N	1	0	418.409	2.026	50	5		HEBARO
C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn21	ZINC000036619153	569210502	/nfs/dbraw/zinc/21/05/02/569210502.db2.gz	JYFYJKPFVULVCD-AWEZNQCLSA-N	1	0	409.450	2.304	50	5		HEBARO
CCC(CC)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1	ZINC000027369973	569298191	/nfs/dbraw/zinc/29/81/91/569298191.db2.gz	XAOXCHFGXZLRPJ-LJQANCHMSA-N	1	0	407.515	2.443	50	5		HEBARO
O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1	ZINC000002692821	568801375	/nfs/dbraw/zinc/80/13/75/568801375.db2.gz	ABLIITXQHKILBI-RTWAWAEBSA-N	1	0	400.495	2.251	50	5		HEBARO
COc1n[nH]c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)c1[N+](=O)[O-]	ZINC000002761478	568807368	/nfs/dbraw/zinc/80/73/68/568807368.db2.gz	QSHLLOIXZZPYPU-UHFFFAOYSA-N	1	0	413.438	2.414	50	5		HEBARO
CC[NH+](CC)C[C@@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000002988705	568833138	/nfs/dbraw/zinc/83/31/38/568833138.db2.gz	IZTXFBBDRDTHOO-GOSISDBHSA-N	1	0	407.492	2.493	50	5		HEBARO
CC[NH+](CC)C[C@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	ZINC000002988704	568833150	/nfs/dbraw/zinc/83/31/50/568833150.db2.gz	IZTXFBBDRDTHOO-SFHVURJKSA-N	1	0	407.492	2.493	50	5		HEBARO
Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1	ZINC000100210023	559177734	/nfs/dbraw/zinc/17/77/34/559177734.db2.gz	FGDZZSRTDIWPJZ-SFHVURJKSA-N	1	0	409.446	2.189	50	5		HEBARO
COC(=O)/C(=C/N1CSC(C)(C)[C@H]1C(=O)OC)C(=[NH2+])c1ccc([N+](=O)[O-])cc1	ZINC000252615448	569301313	/nfs/dbraw/zinc/30/13/13/569301313.db2.gz	JSLCMRWZQUDJPL-BSGOZVDMSA-N	1	0	407.448	2.346	50	5		HEBARO
Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1	ZINC000100211104	559177793	/nfs/dbraw/zinc/17/77/93/559177793.db2.gz	UCMVYQOHDJVQPF-KRWDZBQOSA-N	1	0	409.446	2.189	50	5		HEBARO
CNS(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)c([N+](=O)[O-])c1	ZINC000005688410	560784121	/nfs/dbraw/zinc/78/41/21/560784121.db2.gz	QMPYDWJUXPTVJJ-SFHVURJKSA-N	1	0	408.480	2.226	50	5		HEBARO
O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000025304886	568762418	/nfs/dbraw/zinc/76/24/18/568762418.db2.gz	QXGSIUGBICUSMU-HXUWFJFHSA-N	1	0	413.474	2.363	50	5		HEBARO
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000002798651	568809676	/nfs/dbraw/zinc/80/96/76/568809676.db2.gz	ZRBWGSFWOMJACR-CQSZACIVSA-N	1	0	405.842	2.401	50	5		HEBARO
COCC[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174358	568896635	/nfs/dbraw/zinc/89/66/35/568896635.db2.gz	XTECGRRJJNUVJF-NSHDSACASA-N	1	0	411.402	2.269	50	5		HEBARO
COc1ccc([C@H](CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)[NH+]2CCCC2)cc1	ZINC000012991327	569406152	/nfs/dbraw/zinc/40/61/52/569406152.db2.gz	XBTMAOLPWQRJMV-SFHVURJKSA-N	1	0	401.467	2.370	50	5		HEBARO
C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009740913	571283377	/nfs/dbraw/zinc/28/33/77/571283377.db2.gz	RQGCHASOMCMDAH-IBGZPJMESA-N	1	0	422.482	2.001	50	5		HEBARO
Cc1ccc(C[N@@H+]2CCCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000009747886	571284065	/nfs/dbraw/zinc/28/40/65/571284065.db2.gz	NKBCYHVWMBLYFU-UHFFFAOYSA-N	1	0	404.492	2.263	50	5		HEBARO
Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000010342187	571301167	/nfs/dbraw/zinc/30/11/67/571301167.db2.gz	XEHUHNMPFFWESB-UHFFFAOYSA-N	1	0	408.462	2.481	50	5		HEBARO
CC(C)[NH+](CCNS(=O)(=O)c1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1)C(C)C	ZINC000032927046	519647897	/nfs/dbraw/zinc/64/78/97/519647897.db2.gz	VPIFCUBSPIGYQX-UHFFFAOYSA-N	1	0	424.527	2.327	50	5		HEBARO
CC[NH+]1CCN(Cc2ccccc2CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	ZINC000032916248	521688833	/nfs/dbraw/zinc/68/88/33/521688833.db2.gz	ICBSTKCHGWVCTP-UHFFFAOYSA-N	1	0	422.489	2.352	50	5		HEBARO
C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000058161260	568894196	/nfs/dbraw/zinc/89/41/96/568894196.db2.gz	PSJLFTUIEPLQGF-JTQLQIEISA-N	1	0	412.855	2.012	50	5		HEBARO
COCC[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174357	568896597	/nfs/dbraw/zinc/89/65/97/568896597.db2.gz	XTECGRRJJNUVJF-LLVKDONJSA-N	1	0	411.402	2.269	50	5		HEBARO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12	ZINC000035870212	569063919	/nfs/dbraw/zinc/06/39/19/569063919.db2.gz	DFXAODFNBUSILX-IFMALSPDSA-N	1	0	424.501	2.221	50	5		HEBARO
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000089977347	569270383	/nfs/dbraw/zinc/27/03/83/569270383.db2.gz	JXALOQIOSUPEAK-CYBMUJFWSA-N	1	0	404.446	2.100	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000009312153	571247149	/nfs/dbraw/zinc/24/71/49/571247149.db2.gz	BSIKUHLEOMYPKY-ORGXJRBJSA-N	1	0	420.425	2.176	50	5		HEBARO
COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+]1CCCC1	ZINC000015128569	568775058	/nfs/dbraw/zinc/77/50/58/568775058.db2.gz	JWEDZLHKDOPZMP-QGZVFWFLSA-N	1	0	420.491	2.500	50	5		HEBARO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681774	569127699	/nfs/dbraw/zinc/12/76/99/569127699.db2.gz	AEZZOBLYJGKOKK-FPOVZHCZSA-N	1	0	416.522	2.353	50	5		HEBARO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N2CCn3ccnc3C2)CC1	ZINC000089644369	569261580	/nfs/dbraw/zinc/26/15/80/569261580.db2.gz	BKLHMXMGBPVNJE-UHFFFAOYSA-N	1	0	412.494	2.409	50	5		HEBARO
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000089977348	569270491	/nfs/dbraw/zinc/27/04/91/569270491.db2.gz	JXALOQIOSUPEAK-ZDUSSCGKSA-N	1	0	404.446	2.100	50	5		HEBARO
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)C[NH+](C)C)S(=O)(=O)c1ccc(C)cc1	ZINC000002290776	571049467	/nfs/dbraw/zinc/04/94/67/571049467.db2.gz	TVZQWOGCZGYREG-MRXNPFEDSA-N	1	0	423.491	2.030	50	5		HEBARO
CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000004739180	132286596	/nfs/dbraw/zinc/28/65/96/132286596.db2.gz	HYGCQMMLFZMVQJ-UHFFFAOYSA-N	1	0	402.407	2.369	50	5		HEBARO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	ZINC000247850610	559173080	/nfs/dbraw/zinc/17/30/80/559173080.db2.gz	RLECGFLZYIEZDY-MKXGPGLRSA-N	1	0	419.393	2.283	50	5		HEBARO
C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000012342613	568488918	/nfs/dbraw/zinc/48/89/18/568488918.db2.gz	RQGCHASOMCMDAH-LJQANCHMSA-N	1	0	422.482	2.001	50	5		HEBARO
CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)[NH+](C)C	ZINC000012522660	568842087	/nfs/dbraw/zinc/84/20/87/568842087.db2.gz	BCDIMUAOFGIFDZ-MRXNPFEDSA-N	1	0	414.528	2.004	50	5		HEBARO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12)N1CCOCC1	ZINC000035871036	569064007	/nfs/dbraw/zinc/06/40/07/569064007.db2.gz	KCIDXIFPOAYZLR-PZJWPPBQSA-N	1	0	414.506	2.059	50	5		HEBARO
Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1	ZINC000018217941	569414076	/nfs/dbraw/zinc/41/40/76/569414076.db2.gz	FGDZZSRTDIWPJZ-GOSISDBHSA-N	1	0	409.446	2.189	50	5		HEBARO
COc1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	ZINC000004029274	568934217	/nfs/dbraw/zinc/93/42/17/568934217.db2.gz	UARRPIJHFIVUNZ-GOSISDBHSA-N	1	0	410.454	2.130	50	5	biogenic	HEBARO
Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1	ZINC000018217968	569414046	/nfs/dbraw/zinc/41/40/46/569414046.db2.gz	UCMVYQOHDJVQPF-QGZVFWFLSA-N	1	0	409.446	2.189	50	5		HEBARO
O=C1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000018217944	569414060	/nfs/dbraw/zinc/41/40/60/569414060.db2.gz	BTKQXADAWNVTOA-QGZVFWFLSA-N	1	0	413.409	2.019	50	5		HEBARO
C[C@@H]1C[NH+](CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1	ZINC000012557641	132363821	/nfs/dbraw/zinc/36/38/21/132363821.db2.gz	YFLGQDIYZMCZSF-IAGOWNOFSA-N	1	0	404.511	2.427	50	5		HEBARO
O=C1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc(F)cc1	ZINC000100210029	559177750	/nfs/dbraw/zinc/17/77/50/559177750.db2.gz	BTKQXADAWNVTOA-KRWDZBQOSA-N	1	0	413.409	2.019	50	5		HEBARO
Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CC[NH+](C)CC2)cc1	ZINC000004850862	559190927	/nfs/dbraw/zinc/19/09/27/559190927.db2.gz	UMQWNKFPKRKGDF-HXUWFJFHSA-N	1	0	418.519	2.170	50	5		HEBARO
C[NH+](C)[C@H](CNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1	ZINC000095941558	568662005	/nfs/dbraw/zinc/66/20/05/568662005.db2.gz	QYNQWGVBONDUJF-OAQYLSRUSA-N	1	0	411.506	2.136	50	5		HEBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)cc1	ZINC000002501241	568777069	/nfs/dbraw/zinc/77/70/69/568777069.db2.gz	AZNOMHBWILREAQ-SFHVURJKSA-N	1	0	405.476	2.247	50	5		HEBARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229856075	568960892	/nfs/dbraw/zinc/96/08/92/568960892.db2.gz	WMOIDSVFHDUYQF-FBAVSBLXSA-N	1	0	418.409	2.026	50	5		HEBARO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000169677331	569125379	/nfs/dbraw/zinc/12/53/79/569125379.db2.gz	DFXAODFNBUSILX-UNMCSNQZSA-N	1	0	424.501	2.221	50	5		HEBARO
CCC(CC)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1	ZINC000027369978	569298201	/nfs/dbraw/zinc/29/82/01/569298201.db2.gz	XAOXCHFGXZLRPJ-IBGZPJMESA-N	1	0	407.515	2.443	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000016011986	558766534	/nfs/dbraw/zinc/76/65/34/558766534.db2.gz	FGMRIYXBKDSDSE-ORGXJRBJSA-N	1	0	420.425	2.176	50	5		HEBARO
O=[N+]([O-])c1cccc(N(C[C@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000004819817	559068970	/nfs/dbraw/zinc/06/89/70/559068970.db2.gz	QLMULAKCGDECQS-GOSISDBHSA-N	1	0	405.476	2.247	50	5		HEBARO
CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])[NH+](C)C	ZINC000012521835	568841717	/nfs/dbraw/zinc/84/17/17/568841717.db2.gz	DOAOOEMKNJDRBR-HNNXBMFYSA-N	1	0	414.528	2.004	50	5		HEBARO
Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1[N+](=O)[O-]	ZINC000015589993	568952053	/nfs/dbraw/zinc/95/20/53/568952053.db2.gz	DMJLUFBGAHFBFW-LJQANCHMSA-N	1	0	421.457	2.482	50	5		HEBARO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035894854	569065149	/nfs/dbraw/zinc/06/51/49/569065149.db2.gz	AEZZOBLYJGKOKK-PZJWPPBQSA-N	1	0	416.522	2.353	50	5		HEBARO
COc1ccc(OCCNc2cc(N3CC[NH+](CCO)CC3)ccc2[N+](=O)[O-])cc1	ZINC000019593903	569424126	/nfs/dbraw/zinc/42/41/26/569424126.db2.gz	YOLCICPSKSXSQS-UHFFFAOYSA-N	1	0	416.478	2.209	50	5		HEBARO
CC1CC[NH+](CCCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1	ZINC000032895528	521008636	/nfs/dbraw/zinc/00/86/36/521008636.db2.gz	IIXKQYWUOCXVIG-UHFFFAOYSA-N	1	0	413.496	2.156	50	5		HEBARO
CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000004679134	558881877	/nfs/dbraw/zinc/88/18/77/558881877.db2.gz	NIYHZSGVFYRQFH-QGZVFWFLSA-N	1	0	413.434	2.112	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000248151548	559265428	/nfs/dbraw/zinc/26/54/28/559265428.db2.gz	BSIKUHLEOMYPKY-QLDGJZPUSA-N	1	0	420.425	2.176	50	5		HEBARO
CC[NH+](CC)CCOc1ccccc1CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000046890622	560878519	/nfs/dbraw/zinc/87/85/19/560878519.db2.gz	RBRWJDHWRQGHQG-UHFFFAOYSA-N	1	0	403.483	2.445	50	5		HEBARO
O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1	ZINC000002692819	568801240	/nfs/dbraw/zinc/80/12/40/568801240.db2.gz	ABLIITXQHKILBI-SFTDATJTSA-N	1	0	400.495	2.251	50	5		HEBARO
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000029231177	568823369	/nfs/dbraw/zinc/82/33/69/568823369.db2.gz	URRHPQCBZQSFMZ-UHFFFAOYSA-N	1	0	418.519	2.081	50	5		HEBARO
C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000058161387	568894167	/nfs/dbraw/zinc/89/41/67/568894167.db2.gz	KVUSHTIGLURIRB-JTQLQIEISA-N	1	0	412.855	2.012	50	5		HEBARO
C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000058161262	568894207	/nfs/dbraw/zinc/89/42/07/568894207.db2.gz	PSJLFTUIEPLQGF-SNVBAGLBSA-N	1	0	412.855	2.012	50	5		HEBARO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12)N1CCOCC1	ZINC000035871038	569064017	/nfs/dbraw/zinc/06/40/17/569064017.db2.gz	KCIDXIFPOAYZLR-TZIWHRDSSA-N	1	0	414.506	2.059	50	5		HEBARO
C[NH+]1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)CC1	ZINC000004568850	558736481	/nfs/dbraw/zinc/73/64/81/558736481.db2.gz	ATNQPLWMPJIGRO-GOSISDBHSA-N	1	0	412.446	2.042	50	5		HEBARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000013685985	558854465	/nfs/dbraw/zinc/85/44/65/558854465.db2.gz	PTAAMSSDVVNNBX-RQXXJAGISA-N	1	0	418.409	2.026	50	5		HEBARO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12)N1CCOCC1	ZINC000035871042	569064045	/nfs/dbraw/zinc/06/40/45/569064045.db2.gz	KCIDXIFPOAYZLR-CTNGQTDRSA-N	1	0	414.506	2.059	50	5		HEBARO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681773	569127824	/nfs/dbraw/zinc/12/78/24/569127824.db2.gz	AEZZOBLYJGKOKK-CTNGQTDRSA-N	1	0	416.522	2.353	50	5		HEBARO
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C[NH+]2CCCCC2)cc1=O	ZINC000016974397	569269655	/nfs/dbraw/zinc/26/96/55/569269655.db2.gz	YNNDIBWHZPNWQJ-UHFFFAOYSA-N	1	0	400.435	2.390	50	5		HEBARO
CCOCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1	ZINC000020575050	519896305	/nfs/dbraw/zinc/89/63/05/519896305.db2.gz	NJUGFVYMOACZNZ-UHFFFAOYSA-N	1	0	401.467	2.404	50	5		HEBARO
C[NH+](C)[C@@H](CNC(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1	ZINC000095941557	568662057	/nfs/dbraw/zinc/66/20/57/568662057.db2.gz	QYNQWGVBONDUJF-NRFANRHFSA-N	1	0	411.506	2.136	50	5		HEBARO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12	ZINC000035870213	569063955	/nfs/dbraw/zinc/06/39/55/569063955.db2.gz	DFXAODFNBUSILX-RBBKRZOGSA-N	1	0	424.501	2.221	50	5		HEBARO
Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000010342188	571301178	/nfs/dbraw/zinc/30/11/78/571301178.db2.gz	CLSGCGWUAQUVME-UHFFFAOYSA-N	1	0	408.462	2.481	50	5		HEBARO
O=[N+]([O-])c1ccc(N2CCN(c3cc(N4CC[NH2+]CC4)ccc3[N+](=O)[O-])CC2)cc1	ZINC000004182690	132272581	/nfs/dbraw/zinc/27/25/81/132272581.db2.gz	DRXFIYDDLMOIPV-UHFFFAOYSA-N	1	0	412.450	2.239	50	5		HEBARO
CC[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000041629263	521688568	/nfs/dbraw/zinc/68/85/68/521688568.db2.gz	ZQZJKBBSWHRTID-UHFFFAOYSA-N	1	0	418.519	2.211	50	5		HEBARO
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21	ZINC000247850616	559173109	/nfs/dbraw/zinc/17/31/09/559173109.db2.gz	RLECGFLZYIEZDY-YRXWBPOGSA-N	1	0	419.393	2.283	50	5		HEBARO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12	ZINC000033667775	559226655	/nfs/dbraw/zinc/22/66/55/559226655.db2.gz	WMOIDSVFHDUYQF-QSNWEANLSA-N	1	0	418.409	2.026	50	5		HEBARO
O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCOCC1	ZINC000002692825	568801209	/nfs/dbraw/zinc/80/12/09/568801209.db2.gz	ABLIITXQHKILBI-NHCUHLMSSA-N	1	0	400.495	2.251	50	5		HEBARO
C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000058161389	568894261	/nfs/dbraw/zinc/89/42/61/568894261.db2.gz	KVUSHTIGLURIRB-SNVBAGLBSA-N	1	0	412.855	2.012	50	5		HEBARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229856071	568960888	/nfs/dbraw/zinc/96/08/88/568960888.db2.gz	WMOIDSVFHDUYQF-KCXPTXFHSA-N	1	0	418.409	2.026	50	5		HEBARO
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccccc1C[NH+]1CCCC1	ZINC000021962545	132474160	/nfs/dbraw/zinc/47/41/60/132474160.db2.gz	RSXUSXVUXWFIOE-UHFFFAOYSA-N	1	0	424.457	2.232	50	5		HEBARO
N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1cccc([N+](=O)[O-])c1	ZINC000005073366	559240653	/nfs/dbraw/zinc/24/06/53/559240653.db2.gz	GZBPEQGVDXSFPD-UHFFFAOYSA-N	1	0	409.446	2.046	50	5		HEBARO
O=C(C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)N1CCCCCC1	ZINC000025301560	568763285	/nfs/dbraw/zinc/76/32/85/568763285.db2.gz	MKVUIXZRHJCJJV-IBGZPJMESA-N	1	0	405.495	2.449	50	5		HEBARO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12)N1CCOCC1	ZINC000035871040	569064033	/nfs/dbraw/zinc/06/40/33/569064033.db2.gz	KCIDXIFPOAYZLR-FPOVZHCZSA-N	1	0	414.506	2.059	50	5		HEBARO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000002334693	569376019	/nfs/dbraw/zinc/37/60/19/569376019.db2.gz	WMOIDSVFHDUYQF-SUWCGCSTSA-N	1	0	418.409	2.026	50	5		HEBARO
C[C@@H]([NH3+])C(=O)N1CCN(c2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)n2)CC1	ZINC000000797576	132232976	/nfs/dbraw/zinc/23/29/76/132232976.db2.gz	PJLDDCPFYCBMJO-CQSZACIVSA-N	1	0	406.446	2.201	50	5		HEBARO
CN(CCO)c1cc(N2CC[NH+](C3CCCCC3)CC2)c2nonc2c1[N+](=O)[O-]	ZINC000004668313	132281578	/nfs/dbraw/zinc/28/15/78/132281578.db2.gz	RJWQQYQXOQJHBL-UHFFFAOYSA-N	1	0	404.471	2.014	50	5		HEBARO
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)C[NH+]2CCCC2)c2ccccc2)cc1	ZINC000002501239	568777164	/nfs/dbraw/zinc/77/71/64/568777164.db2.gz	AZNOMHBWILREAQ-GOSISDBHSA-N	1	0	405.476	2.247	50	5		HEBARO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035894852	569065131	/nfs/dbraw/zinc/06/51/31/569065131.db2.gz	AEZZOBLYJGKOKK-TZIWHRDSSA-N	1	0	416.522	2.353	50	5		HEBARO
CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000101994167	560806872	/nfs/dbraw/zinc/80/68/72/560806872.db2.gz	FGMRIYXBKDSDSE-MSQSPTIYSA-N	1	0	420.425	2.176	50	5		HEBARO
O=[N+]([O-])c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1	ZINC000029915122	568849993	/nfs/dbraw/zinc/84/99/93/568849993.db2.gz	KQACZBPQPPLFAW-UHFFFAOYSA-N	1	0	424.509	2.307	50	5		HEBARO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN1CCOCC1	ZINC000012749521	568937280	/nfs/dbraw/zinc/93/72/80/568937280.db2.gz	XEGSWZOKAQISPD-UHFFFAOYSA-N	1	0	405.476	2.214	50	5		HEBARO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000169677330	569125333	/nfs/dbraw/zinc/12/53/33/569125333.db2.gz	DFXAODFNBUSILX-IRLDBZIGSA-N	1	0	424.501	2.221	50	5		HEBARO