smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000003887497	181052958	/nfs/dbraw/zinc/05/29/58/181052958.db2.gz	XUTPCJXRHJRFSQ-UHFFFAOYSA-N	-1	0	303.296	0.024	50	5		DCBARM
O=C([O-])CS(=O)(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004517822	181119113	/nfs/dbraw/zinc/11/91/13/181119113.db2.gz	MSQHOJKQOXFQRV-UHFFFAOYSA-N	-1	0	302.264	0.033	50	5		DCBARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000013638500	395688828	/nfs/dbraw/zinc/68/88/28/395688828.db2.gz	WBLOVKTWRWLBBI-UHFFFAOYSA-N	-1	0	308.275	0.341	50	5		DCBARM
O=C([O-])C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000002235783	395681451	/nfs/dbraw/zinc/68/14/51/395681451.db2.gz	WJHRKMZEWACLRE-GFCCVEGCSA-N	-1	0	323.305	0.709	50	5		DCBARM
O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1n[nH]c(=O)[n-]1	ZINC000072292563	396130030	/nfs/dbraw/zinc/13/00/30/396130030.db2.gz	UHWADDRUKNMXMY-UHFFFAOYSA-N	-1	0	305.294	0.759	50	5		DCBARM
CCOC(=O)c1nn(-c2ccc(OC)cc2[N+](=O)[O-])cc1[O-]	ZINC000006206086	181318903	/nfs/dbraw/zinc/31/89/03/181318903.db2.gz	SHRGRVSDKNMEJO-UHFFFAOYSA-N	-1	0	307.262	0.912	50	5		DCBARM
C[C@@H]1CCCN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C1	ZINC000004306225	415131229	/nfs/dbraw/zinc/13/12/29/415131229.db2.gz	XQDQWAAEQFZMDC-SSDOTTSWSA-N	-1	0	310.314	0.700	50	5		DCBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC2[N+](=O)[O-])c1	ZINC000046902118	415260955	/nfs/dbraw/zinc/26/09/55/415260955.db2.gz	MSXASHMDLNURIZ-WCBMZHEXSA-N	-1	0	314.319	0.790	50	5		DCBARM
C[C@@H]1C[C@@H](C)CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C1	ZINC000005157008	297232857	/nfs/dbraw/zinc/23/28/57/297232857.db2.gz	IAOKPQVOTFSBDN-HTQZYQBOSA-N	-1	0	324.341	0.946	50	5		DCBARM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004344169	415130435	/nfs/dbraw/zinc/13/04/35/415130435.db2.gz	XEKBNNVVCDSGBZ-JTQLQIEISA-N	-1	0	300.292	0.833	50	5		DCBARM
O=C([O-])CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000004193709	304069530	/nfs/dbraw/zinc/06/95/30/304069530.db2.gz	COERGSYVDWLWLG-UHFFFAOYSA-N	-1	0	309.278	0.246	50	5		DCBARM
O=C([O-])/C=C\C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032691031	134682291	/nfs/dbraw/zinc/68/22/91/134682291.db2.gz	QGJAIBYJUQYWHX-WAYWQWQTSA-N	-1	0	305.290	0.884	50	5		DCBARM
Cc1ccc(OC[C@H](O)CN(C)S(=O)(=O)[O-])c([N+](=O)[O-])c1	ZINC000002897387	180968690	/nfs/dbraw/zinc/96/86/90/180968690.db2.gz	RBCHDHAUMJOLCS-SECBINFHSA-N	-1	0	320.323	0.378	50	5		DCBARM
CSc1ccc(S(=O)(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000003887541	181052951	/nfs/dbraw/zinc/05/29/51/181052951.db2.gz	AWFSJCPMXCNXBR-UHFFFAOYSA-N	-1	0	306.321	0.680	50	5		DCBARM
Cc1cc(C)c(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000262445142	396141170	/nfs/dbraw/zinc/14/11/70/396141170.db2.gz	CKWMHOWQQFHOSO-UHFFFAOYSA-N	-1	0	302.308	0.965	50	5		DCBARM
Cn1[n-]cc2c(=NC[C@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2	ZINC000885648231	667688587	/nfs/dbraw/zinc/68/85/87/667688587.db2.gz	HKGUSEYEGPBEQG-LBPRGKRZSA-N	-1	0	314.305	0.791	50	5		DCBARM
CCn1c2cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc2n(CC)c1=O	ZINC000009879824	288691031	/nfs/dbraw/zinc/69/10/31/288691031.db2.gz	IQZLGKDDAXRLTL-UHFFFAOYSA-N	-1	0	315.307	0.998	50	5		DCBARM
CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21	ZINC000241383102	290084952	/nfs/dbraw/zinc/08/49/52/290084952.db2.gz	MSOHFJRYHLTGPP-TZMCWYRMSA-N	-1	0	321.333	0.846	50	5		DCBARM
O=c1[n-]c(CNc2ncc(Br)cc2[N+](=O)[O-])n[nH]1	ZINC000084338562	415496583	/nfs/dbraw/zinc/49/65/83/415496583.db2.gz	JIWLSQWRYOASSU-UHFFFAOYSA-N	-1	0	315.087	0.776	50	5		DCBARM
C[C@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263569205	545986519	/nfs/dbraw/zinc/98/65/19/545986519.db2.gz	ZDCPAXNSOSBCCO-VIFPVBQESA-N	-1	0	320.099	1.000	50	5		DCBARM
Cc1n[n-]c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1=O	ZINC000005183683	181214545	/nfs/dbraw/zinc/21/45/45/181214545.db2.gz	DXOWQGBUTIPUPM-UHFFFAOYSA-N	-1	0	316.321	0.708	50	5		DCBARM
CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21	ZINC000241383100	290113156	/nfs/dbraw/zinc/11/31/56/290113156.db2.gz	MSOHFJRYHLTGPP-JSGCOSHPSA-N	-1	0	321.333	0.846	50	5		DCBARM
COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000003887690	181053075	/nfs/dbraw/zinc/05/30/75/181053075.db2.gz	VTBDVDJFXQZCQE-UHFFFAOYSA-N	-1	0	304.280	0.356	50	5		DCBARM
C[C@@H]1C[C@H](C)CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C1	ZINC000005156999	297362892	/nfs/dbraw/zinc/36/28/92/297362892.db2.gz	IAOKPQVOTFSBDN-OCAPTIKFSA-N	-1	0	324.341	0.946	50	5		DCBARM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(C)(=O)=O	ZINC000003612887	181040986	/nfs/dbraw/zinc/04/09/86/181040986.db2.gz	VWVSDQXAMIZDFN-UHFFFAOYSA-N	-1	0	304.280	0.454	50	5		DCBARM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CCOCO1	ZINC000089768197	395714986	/nfs/dbraw/zinc/71/49/86/395714986.db2.gz	BENYGKSMGAIHOO-QMMMGPOBSA-N	-1	0	320.298	0.775	50	5		DCBARM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001782152	395681079	/nfs/dbraw/zinc/68/10/79/395681079.db2.gz	NBPIPGHKYHUOGV-SNVBAGLBSA-N	-1	0	300.292	0.833	50	5		DCBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2CNC3)cc1	ZINC000725374678	685320404	/nfs/dbraw/zinc/32/04/04/685320404.db2.gz	MYBVEWIVTUPXAM-UHFFFAOYSA-N	-1	0	309.307	0.722	50	5		DCBARM
CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000125875	415125970	/nfs/dbraw/zinc/12/59/70/415125970.db2.gz	RKMLSEJNBSKLDI-SNVBAGLBSA-N	-1	0	302.308	0.982	50	5		DCBARM
O=C(CSc1nncc(=O)[n-]1)Nc1ccc([N+](=O)[O-])cc1	ZINC000007415582	415139580	/nfs/dbraw/zinc/13/95/80/415139580.db2.gz	COVOCZAUHPFDEA-UHFFFAOYSA-N	-1	0	307.291	0.804	50	5		DCBARM
CCOC(=O)CSc1nn2c([n-]1)nc(C)c([N+](=O)[O-])c2=O	ZINC000006491966	181345646	/nfs/dbraw/zinc/34/56/46/181345646.db2.gz	CGUHHVBGUFICLF-UHFFFAOYSA-N	-1	0	313.295	0.702	50	5		DCBARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000013544010	181859646	/nfs/dbraw/zinc/85/96/46/181859646.db2.gz	VWXCMSJVTMDYIS-UHFFFAOYSA-N	-1	0	308.275	0.341	50	5		DCBARM
[NH3+][C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(=O)[O-]	ZINC000004521526	181119604	/nfs/dbraw/zinc/11/96/04/181119604.db2.gz	AHFFWTMLFDZSOF-QMMMGPOBSA-N	-1	0	311.250	0.424	50	5		DCBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc3c(c2)OCO3)[nH]1	ZINC000005012589	395682585	/nfs/dbraw/zinc/68/25/85/395682585.db2.gz	DDMIGSXWDRQILX-IWQZZHSRSA-N	-1	0	303.230	0.871	50	5		DCBARM
Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1[N+](=O)[O-]	ZINC000101675631	395765939	/nfs/dbraw/zinc/76/59/39/395765939.db2.gz	WNPODPRYUDORGA-JTQLQIEISA-N	-1	0	302.250	0.873	50	5		DCBARM
CCN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)[O-]	ZINC000022205767	182313510	/nfs/dbraw/zinc/31/35/10/182313510.db2.gz	DSJDDSAHFBSXED-SNVBAGLBSA-N	-1	0	320.323	0.459	50	5		DCBARM
Nc1nc(NCC(=O)[O-])nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	ZINC000009210489	395685116	/nfs/dbraw/zinc/68/51/16/395685116.db2.gz	OZHTWYLJSQNTEL-ZCFIWIBFSA-N	-1	0	312.286	0.054	50	5		DCBARM
CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000000123568	395679795	/nfs/dbraw/zinc/67/97/95/395679795.db2.gz	PRAFGBKLVVVLSD-SNVBAGLBSA-N	-1	0	302.308	0.982	50	5		DCBARM
Nc1nc(NCC(=O)[O-])nc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000004305946	395682498	/nfs/dbraw/zinc/68/24/98/395682498.db2.gz	PHSZHZSCLXMSJC-UHFFFAOYSA-N	-1	0	310.314	0.844	50	5		DCBARM
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000039649428	183021399	/nfs/dbraw/zinc/02/13/99/183021399.db2.gz	JMJMJDNHVXYAOC-MNOVXSKESA-N	-1	0	310.262	0.751	50	5	in-vitro	DCBARM
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CCOCO1	ZINC000089768198	395714736	/nfs/dbraw/zinc/71/47/36/395714736.db2.gz	BENYGKSMGAIHOO-MRVPVSSYSA-N	-1	0	320.298	0.775	50	5		DCBARM
CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000042295030	395744151	/nfs/dbraw/zinc/74/41/51/395744151.db2.gz	ORCNHZNZTFZFDL-SSDOTTSWSA-N	-1	0	317.323	0.103	50	5		DCBARM
Cc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)[O-])c([N+](=O)[O-])c1	ZINC000002897388	395682215	/nfs/dbraw/zinc/68/22/15/395682215.db2.gz	RBCHDHAUMJOLCS-VIFPVBQESA-N	-1	0	320.323	0.378	50	5		DCBARM
NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517585	303247998	/nfs/dbraw/zinc/24/79/98/303247998.db2.gz	OLIFDVJRECUYJH-QMMMGPOBSA-N	-1	0	312.238	0.634	50	5	in-vitro	DCBARM
C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C(=O)[O-]	ZINC000263569204	545986554	/nfs/dbraw/zinc/98/65/54/545986554.db2.gz	ZDCPAXNSOSBCCO-SECBINFHSA-N	-1	0	320.099	1.000	50	5		DCBARM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000123585	395679854	/nfs/dbraw/zinc/67/98/54/395679854.db2.gz	NBPIPGHKYHUOGV-JTQLQIEISA-N	-1	0	300.292	0.833	50	5		DCBARM
CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000000125872	280328984	/nfs/dbraw/zinc/32/89/84/280328984.db2.gz	RKMLSEJNBSKLDI-JTQLQIEISA-N	-1	0	302.308	0.982	50	5		DCBARM
Cc1cc(C(=O)[N-]C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000022018748	658749861	/nfs/dbraw/zinc/74/98/61/658749861.db2.gz	DJBSMBZXJHGPJY-UHFFFAOYSA-N	-1	0	317.261	0.521	50	5		DCBARM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000016450538	304188036	/nfs/dbraw/zinc/18/80/36/304188036.db2.gz	IASFTKWVULIFKI-SECBINFHSA-N	-1	0	300.292	0.833	50	5		DCBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1	ZINC000046902116	415261277	/nfs/dbraw/zinc/26/12/77/415261277.db2.gz	MSXASHMDLNURIZ-PSASIEDQSA-N	-1	0	314.319	0.790	50	5		DCBARM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)[O-])cc1Cl	ZINC000005679300	181271554	/nfs/dbraw/zinc/27/15/54/181271554.db2.gz	IJAXNPPTOHPORO-UHFFFAOYSA-N	-1	0	308.699	0.920	50	5		DCBARM
CCn1cc(S(=O)(=O)[N-]c2cc(C)on2)c([N+](=O)[O-])n1	ZINC000083843360	192385054	/nfs/dbraw/zinc/38/50/54/192385054.db2.gz	CAUNOIZUACXROB-UHFFFAOYSA-N	-1	0	301.284	0.908	50	5		DCBARM
Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])c(=O)[n-]c2=O)cc1	ZINC000073966824	396154231	/nfs/dbraw/zinc/15/42/31/396154231.db2.gz	NMBZPUGKFAMJJY-UHFFFAOYSA-N	-1	0	318.289	0.482	50	5		DCBARM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013027759	304115051	/nfs/dbraw/zinc/11/50/51/304115051.db2.gz	IASFTKWVULIFKI-VIFPVBQESA-N	-1	0	300.292	0.833	50	5		DCBARM
CC1CCN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])CC1	ZINC000005164771	415134291	/nfs/dbraw/zinc/13/42/91/415134291.db2.gz	ZVRZFZNGNZSAMF-UHFFFAOYSA-N	-1	0	310.314	0.700	50	5		DCBARM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004344167	331485762	/nfs/dbraw/zinc/48/57/62/331485762.db2.gz	XEKBNNVVCDSGBZ-SNVBAGLBSA-N	-1	0	300.292	0.833	50	5		DCBARM
Cn1[n-]cc2c(=NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2	ZINC000885648230	667688309	/nfs/dbraw/zinc/68/83/09/667688309.db2.gz	HKGUSEYEGPBEQG-GFCCVEGCSA-N	-1	0	314.305	0.791	50	5		DCBARM
O=C([O-])C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000002235784	180916399	/nfs/dbraw/zinc/91/63/99/180916399.db2.gz	WJHRKMZEWACLRE-LBPRGKRZSA-N	-1	0	323.305	0.709	50	5		DCBARM
CCOC(=O)CSc1nn2c([n-]1)nc(C)c([N+](=O)[O-])c2=O	ZINC000100165532	395762882	/nfs/dbraw/zinc/76/28/82/395762882.db2.gz	YHZMCEDJWOCMDA-UHFFFAOYSA-N	-1	0	313.295	0.289	50	5		DCBARM
COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)[n-]c2=O)cc1	ZINC000069848341	396092116	/nfs/dbraw/zinc/09/21/16/396092116.db2.gz	MVOXVQHPZXHUOK-UHFFFAOYSA-N	-1	0	320.261	0.092	50	5		DCBARM
C[C@H]1C[C@H](C)CN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C1	ZINC000005157004	415134625	/nfs/dbraw/zinc/13/46/25/415134625.db2.gz	IAOKPQVOTFSBDN-YUMQZZPRSA-N	-1	0	324.341	0.946	50	5		DCBARM
Cn1ncc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c1C(=O)[O-]	ZINC000008782584	181586276	/nfs/dbraw/zinc/58/62/76/181586276.db2.gz	BDPDXIOLGPJJIS-UHFFFAOYSA-N	-1	0	314.645	0.655	50	5		DCBARM
O=C([O-])c1nonc1NCn1nnc2cc([N+](=O)[O-])ccc21	ZINC000022064716	395691764	/nfs/dbraw/zinc/69/17/64/395691764.db2.gz	NYEFPWXDNPGALV-UHFFFAOYSA-N	-1	0	305.210	0.490	50	5		DCBARM
CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000000123567	395679771	/nfs/dbraw/zinc/67/97/71/395679771.db2.gz	PRAFGBKLVVVLSD-JTQLQIEISA-N	-1	0	302.308	0.982	50	5		DCBARM
C[C@H]1CCCN(c2nc(NCC(=O)[O-])nc(N)c2[N+](=O)[O-])C1	ZINC000004306226	415129336	/nfs/dbraw/zinc/12/93/36/415129336.db2.gz	XQDQWAAEQFZMDC-ZETCQYMHSA-N	-1	0	310.314	0.700	50	5		DCBARM
CCC(=O)Nc1cc2[n-]c3nc(=O)n(C)c(=O)c-3nc2cc1C	ZINC000006733117	281953360	/nfs/dbraw/zinc/95/33/60/281953360.db2.gz	NCIUQKNHVPJVJI-UHFFFAOYSA-N	-1	0	313.317	0.827	50	5		DCBARM
O=C([O-])CCCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1	ZINC000004627530	181130860	/nfs/dbraw/zinc/13/08/60/181130860.db2.gz	MSGUMJIAXGGPJE-UHFFFAOYSA-N	-1	0	322.281	0.491	50	5		DCBARM
CN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000003879244	415131458	/nfs/dbraw/zinc/13/14/58/415131458.db2.gz	UKDMOXIGYKCTLP-UHFFFAOYSA-N	-1	0	310.266	0.953	50	5		DCBARM
Cc1ccc(S(=O)(=O)[N-]C(=O)c2[nH]cnc2[N+](=O)[O-])cc1	ZINC000001414363	301687509	/nfs/dbraw/zinc/68/75/09/301687509.db2.gz	FJYNQESBPBDAFZ-UHFFFAOYSA-N	-1	0	310.291	0.745	50	5		DCBARM
O=C([N-]N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccnc1	ZINC000000321166	395680173	/nfs/dbraw/zinc/68/01/73/395680173.db2.gz	WLSHGZUUKGZHHV-UHFFFAOYSA-N	-1	0	312.241	0.931	50	5		DCBARM
O=C([O-])/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000003879432	659332829	/nfs/dbraw/zinc/33/28/29/659332829.db2.gz	QGJAIBYJUQYWHX-AATRIKPKSA-N	-1	0	305.290	0.884	50	5		DCBARM
O=C([O-])CCn1cc(I)c([N+](=O)[O-])n1	ZINC000072339431	191126117	/nfs/dbraw/zinc/12/61/17/191126117.db2.gz	SOOGNIVIFIHIEB-UHFFFAOYSA-N	-1	0	311.035	0.871	50	5		DCBARM
CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000021015401	182260987	/nfs/dbraw/zinc/26/09/87/182260987.db2.gz	CCHNMHJIODTHDL-JTQLQIEISA-N	-1	0	302.308	0.982	50	5		DCBARM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	ZINC000000207849	257234293	/nfs/dbraw/zinc/23/42/93/257234293.db2.gz	HGPZOPYXWPAUKK-OXJKWZBOSA-N	-1	0	316.269	0.966	50	5	biogenic	DCBARM
O=c1[n-]c(=O)n(Cc2noc(-c3ccoc3)n2)cc1[N+](=O)[O-]	ZINC000072292145	396129690	/nfs/dbraw/zinc/12/96/90/396129690.db2.gz	BVGPPPZOYWVFAV-UHFFFAOYSA-N	-1	0	305.206	0.136	50	5		DCBARM
CC(C)Nc1ccc(S(=O)(=O)NCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000003888180	181053040	/nfs/dbraw/zinc/05/30/40/181053040.db2.gz	QYSJOTGEGUHBTO-UHFFFAOYSA-N	-1	0	317.323	0.778	50	5		DCBARM
CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21	ZINC000241383099	290084464	/nfs/dbraw/zinc/08/44/64/290084464.db2.gz	MSOHFJRYHLTGPP-GXTWGEPZSA-N	-1	0	321.333	0.846	50	5		DCBARM
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOCCO	ZINC000022342389	182319359	/nfs/dbraw/zinc/31/93/59/182319359.db2.gz	LZNRRFUDDVDKFD-UHFFFAOYSA-N	-1	0	315.238	0.622	50	5		DCBARM
COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1O	ZINC000030840479	395704384	/nfs/dbraw/zinc/70/43/84/395704384.db2.gz	BVRWVEJDMLJZMR-RQOWECAXSA-N	-1	0	305.246	0.856	50	5		DCBARM
CCN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)[O-]	ZINC000022205769	182313471	/nfs/dbraw/zinc/31/34/71/182313471.db2.gz	DSJDDSAHFBSXED-JTQLQIEISA-N	-1	0	320.323	0.459	50	5		DCBARM
NC(=O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000004517590	303247636	/nfs/dbraw/zinc/24/76/36/303247636.db2.gz	OLIFDVJRECUYJH-MRVPVSSYSA-N	-1	0	312.238	0.634	50	5		DCBARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000013638554	181871795	/nfs/dbraw/zinc/87/17/95/181871795.db2.gz	DRLUAKPOIOIBJE-UHFFFAOYSA-N	-1	0	308.275	0.341	50	5		DCBARM
Cn1nnc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000126552214	395913203	/nfs/dbraw/zinc/91/32/03/395913203.db2.gz	HJKAZDZITVUTBD-UHFFFAOYSA-N	-1	0	302.247	0.058	50	5		DCBARM
O=C([O-])CS(=O)(=O)CC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004517805	181119100	/nfs/dbraw/zinc/11/91/00/181119100.db2.gz	WRWLCMCKTYNNNT-UHFFFAOYSA-N	-1	0	302.264	0.033	50	5		DCBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000021548854	182279723	/nfs/dbraw/zinc/27/97/23/182279723.db2.gz	FCBUEUZGYQPIRN-SSDOTTSWSA-N	-1	0	315.307	0.609	50	5		DCBARM
CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000042295035	395743987	/nfs/dbraw/zinc/74/39/87/395743987.db2.gz	ORCNHZNZTFZFDL-ZETCQYMHSA-N	-1	0	317.323	0.103	50	5		DCBARM
O=C([O-])CNC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003267322	415129575	/nfs/dbraw/zinc/12/95/75/415129575.db2.gz	TUPKFAMJKIEURT-UHFFFAOYSA-N	-1	0	309.278	0.246	50	5		DCBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000005024968	181192388	/nfs/dbraw/zinc/19/23/88/181192388.db2.gz	FKJQEDDTTAPSSN-SNVBAGLBSA-N	-1	0	320.348	0.524	50	5		DCBARM
O=C([O-])CN1C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2	ZINC000004548218	304068110	/nfs/dbraw/zinc/06/81/10/304068110.db2.gz	NYIRDBZKDUVJMT-ZJUUUORDSA-N	-1	0	305.674	0.334	50	5		DCBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1	ZINC000046902112	415261304	/nfs/dbraw/zinc/26/13/04/415261304.db2.gz	MSXASHMDLNURIZ-SCZZXKLOSA-N	-1	0	314.319	0.790	50	5		DCBARM
O=[N+]([O-])c1ccccc1[N-]S(=O)(=O)CCN1CCOCC1	ZINC000096193943	395748453	/nfs/dbraw/zinc/74/84/53/395748453.db2.gz	QZVLYXLXTSIFRI-UHFFFAOYSA-N	-1	0	315.351	0.669	50	5		DCBARM
Cn1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)n1	ZINC000131261730	395924973	/nfs/dbraw/zinc/92/49/73/395924973.db2.gz	SVQWBDYKIWSOHA-UHFFFAOYSA-N	-1	0	302.247	0.058	50	5		DCBARM
O=C([O-])CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000095389816	185351284	/nfs/dbraw/zinc/35/12/84/185351284.db2.gz	YSGZZIJLBJIVJT-UHFFFAOYSA-N	-1	0	310.262	0.961	50	5		DCBARM
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000000258399	395680209	/nfs/dbraw/zinc/68/02/09/395680209.db2.gz	RCWJYFGAGZAGDP-UHFFFAOYSA-N	-1	0	317.275	0.630	50	5		DCBARM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	ZINC000004028878	304160466	/nfs/dbraw/zinc/16/04/66/304160466.db2.gz	HGPZOPYXWPAUKK-MCYUEQNJSA-N	-1	0	316.269	0.966	50	5	biogenic	DCBARM
CN1C(=O)C(=C([O-])c2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000100293218	395762866	/nfs/dbraw/zinc/76/28/66/395762866.db2.gz	GYUWWUXRXWPPPF-UHFFFAOYSA-N	-1	0	305.246	0.444	50	5		DCBARM
CN(C)c1ccc2[nH]c3c(C(=O)[O-])cc(=O)c(=O)c=3oc2c1	ZINC000005318205	289412058	/nfs/dbraw/zinc/41/20/58/289412058.db2.gz	DNLNTLLPAVLFLS-UHFFFAOYSA-N	-1	0	300.270	0.970	50	5		DCBARM
CN1CCN(c2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000004660159	290057089	/nfs/dbraw/zinc/05/70/89/290057089.db2.gz	NIEMTJYLZCMKQZ-UHFFFAOYSA-N	-1	0	310.266	0.953	50	5		DCBARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC2[N+](=O)[O-])c1	ZINC000046902114	415261100	/nfs/dbraw/zinc/26/11/00/415261100.db2.gz	MSXASHMDLNURIZ-WPRPVWTQSA-N	-1	0	314.319	0.790	50	5		DCBARM
CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@H]21	ZINC000241383101	290113215	/nfs/dbraw/zinc/11/32/15/290113215.db2.gz	MSOHFJRYHLTGPP-OCCSQVGLSA-N	-1	0	321.333	0.846	50	5		DCBARM
Nc1nc(NCC(=O)[O-])nc(NCc2ccco2)c1[N+](=O)[O-]	ZINC000009192472	395685142	/nfs/dbraw/zinc/68/51/42/395685142.db2.gz	DHEFBMRFQCYPSG-UHFFFAOYSA-N	-1	0	308.254	0.669	50	5		DCBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1n[nH]c2c1CNC2	ZINC000725372871	658607372	/nfs/dbraw/zinc/60/73/72/658607372.db2.gz	AJGVRSXBAIXQBD-UHFFFAOYSA-N	-1	0	309.307	0.722	50	5		DCBARM
Cn1c([O-])c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n(C)c1=O	ZINC000002294906	395681473	/nfs/dbraw/zinc/68/14/73/395681473.db2.gz	IYSMFJHJUUFDRI-UHFFFAOYSA-N	-1	0	322.233	0.637	50	5		DCBARM
COc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000022151516	415158302	/nfs/dbraw/zinc/15/83/02/415158302.db2.gz	RQIQCSHAKFFTGZ-UHFFFAOYSA-N	-1	0	318.307	0.747	50	5		DCBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000005024969	181192205	/nfs/dbraw/zinc/19/22/05/181192205.db2.gz	FKJQEDDTTAPSSN-JTQLQIEISA-N	-1	0	320.348	0.524	50	5		DCBARM
CCc1c(C(=O)[O-])[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000005197303	181215450	/nfs/dbraw/zinc/21/54/50/181215450.db2.gz	YCRSJCJHQCENKU-UHFFFAOYSA-N	-1	0	305.246	0.695	50	5		DCBARM
COc1cc(/C=C2\NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000009295898	395685129	/nfs/dbraw/zinc/68/51/29/395685129.db2.gz	VOJXGUODKSPOJG-CLTKARDFSA-N	-1	0	309.303	0.996	50	5		DCBARM
CC(C)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000021015398	182261060	/nfs/dbraw/zinc/26/10/60/182261060.db2.gz	CCHNMHJIODTHDL-SNVBAGLBSA-N	-1	0	302.308	0.982	50	5		DCBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000021548855	182279970	/nfs/dbraw/zinc/27/99/70/182279970.db2.gz	FCBUEUZGYQPIRN-ZETCQYMHSA-N	-1	0	315.307	0.609	50	5		DCBARM
Nc1nc(NCC(=O)[O-])nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-]	ZINC000009244715	395685155	/nfs/dbraw/zinc/68/51/55/395685155.db2.gz	OZHTWYLJSQNTEL-LURJTMIESA-N	-1	0	312.286	0.054	50	5		DCBARM
Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1[N+](=O)[O-]	ZINC000101675636	395766079	/nfs/dbraw/zinc/76/60/79/395766079.db2.gz	WNPODPRYUDORGA-SNVBAGLBSA-N	-1	0	302.250	0.873	50	5		DCBARM