smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)cccc1F	ZINC000000611649	425569985	/nfs/dbraw/zinc/56/99/85/425569985.db2.gz	MXEMBSBKKAVVDT-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
COc1cc(CNc2ccc3n[nH]cc3c2)c([N+](=O)[O-])cc1[O-]	ZINC000095440150	185365959	/nfs/dbraw/zinc/36/59/59/185365959.db2.gz	JUGZXINKHYDJJM-UHFFFAOYSA-N	-1	3	314.301	2.797	50	5		DFBAHM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000003876421	181051677	/nfs/dbraw/zinc/05/16/77/181051677.db2.gz	XFVZCEQEQMVDSY-UHFFFAOYSA-N	-1	3	306.343	2.845	50	5		DFBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-]	ZINC000005754129	181281102	/nfs/dbraw/zinc/28/11/02/181281102.db2.gz	YYXJKQARBSMRFV-UHFFFAOYSA-N	-1	3	310.306	2.843	50	5		DFBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)ccc2Cl)n1	ZINC000000209851	425544755	/nfs/dbraw/zinc/54/47/55/425544755.db2.gz	VJJAKRNGBUIQCP-UHFFFAOYSA-N	-1	3	315.116	2.887	50	5		DFBAHM
CSc1ccccc1[N-]C(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000002761653	425602276	/nfs/dbraw/zinc/60/22/76/425602276.db2.gz	XUVGADXLFRJUER-UHFFFAOYSA-N	-1	3	306.347	2.611	50	5		DFBAHM
Cc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1[N+](=O)[O-]	ZINC000012978063	425744685	/nfs/dbraw/zinc/74/46/85/425744685.db2.gz	CKRQTKQPDVSDJH-UHFFFAOYSA-N	-1	3	313.273	2.534	50	5		DFBAHM
Cc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1[N+](=O)[O-]	ZINC000012978063	425744690	/nfs/dbraw/zinc/74/46/90/425744690.db2.gz	CKRQTKQPDVSDJH-UHFFFAOYSA-N	-1	3	313.273	2.534	50	5		DFBAHM
Cc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1[N+](=O)[O-]	ZINC000012978063	425744694	/nfs/dbraw/zinc/74/46/94/425744694.db2.gz	CKRQTKQPDVSDJH-UHFFFAOYSA-N	-1	3	313.273	2.534	50	5		DFBAHM
O=c1[n-]nc(-c2ccco2)c2cn(-c3cccc([N+](=O)[O-])c3)nc21	ZINC000000093463	304804927	/nfs/dbraw/zinc/80/49/27/304804927.db2.gz	FLZQYTBSMUFZJJ-UHFFFAOYSA-N	-1	3	323.268	2.689	50	5		DFBAHM
CC(C)CNc1nc(N)c([N+](=O)[O-])c([N-]c2ccccc2F)n1	ZINC000004305911	181095320	/nfs/dbraw/zinc/09/53/20/181095320.db2.gz	PJXQQCVONVSTSQ-UHFFFAOYSA-N	-1	3	320.328	2.918	50	5		DFBAHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1	ZINC000005428635	181242197	/nfs/dbraw/zinc/24/21/97/181242197.db2.gz	MXNWMNCCYYWVGI-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
O=C([N-]c1nc(-c2ccccc2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006448857	181342220	/nfs/dbraw/zinc/34/22/20/181342220.db2.gz	MGGMKLYCNDBGEM-UHFFFAOYSA-N	-1	3	315.314	2.694	50	5		DFBAHM
O=C([N-]c1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1	ZINC000003073295	284440393	/nfs/dbraw/zinc/44/03/93/284440393.db2.gz	KIESCJBWOXGQJC-UHFFFAOYSA-N	-1	3	310.269	2.897	50	5		DFBAHM
COc1cc(/C=C2/C(=O)Nc3ccccc32)c([N+](=O)[O-])cc1[O-]	ZINC000009155805	425682621	/nfs/dbraw/zinc/68/26/21/425682621.db2.gz	GAPGTSHHDWYCBN-IZZDOVSWSA-N	-1	3	312.281	2.802	50	5		DFBAHM
CN(C)c1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000009364381	425687698	/nfs/dbraw/zinc/68/76/98/425687698.db2.gz	DKFWXDVDXCODBN-UHFFFAOYSA-N	-1	3	301.302	2.619	50	5		DFBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCc2occc21	ZINC000012952518	425744330	/nfs/dbraw/zinc/74/43/30/425744330.db2.gz	WXECGQJNRHPAOQ-NSHDSACASA-N	-1	3	322.342	2.544	50	5		DFBAHM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccncc2)c([N+](=O)[O-])c1	ZINC000104228760	425961212	/nfs/dbraw/zinc/96/12/12/425961212.db2.gz	VTINJVDCHSVZRA-UHFFFAOYSA-N	-1	3	305.206	2.550	50	5		DFBAHM
Cc1cc(C)n(C[C@H](C)CNCc2cc([O-])ccc2[N+](=O)[O-])n1	ZINC000089594088	301240636	/nfs/dbraw/zinc/24/06/36/301240636.db2.gz	CBTIZINZUAIJHB-LLVKDONJSA-N	-1	3	318.377	2.540	50	5		DFBAHM
O=[N+]([O-])c1cc([N-]S(=O)(=O)CCC2CC2)ccc1Cl	ZINC000095441736	185366429	/nfs/dbraw/zinc/36/64/29/185366429.db2.gz	SZFJIFWPPFPSOO-UHFFFAOYSA-N	-1	3	304.755	2.790	50	5		DFBAHM
COc1ccc([N-]C(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000004616871	181129958	/nfs/dbraw/zinc/12/99/58/181129958.db2.gz	VWVRZSUBCWBLDM-UHFFFAOYSA-N	-1	3	317.257	2.764	50	5		DFBAHM
CSc1ccccc1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl	ZINC000006787017	181388110	/nfs/dbraw/zinc/38/81/10/181388110.db2.gz	MHZYFVXBSUMXTB-UHFFFAOYSA-N	-1	3	312.738	2.946	50	5		DFBAHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1	ZINC000017052652	182071572	/nfs/dbraw/zinc/07/15/72/182071572.db2.gz	VFOMVWMXOUDOMK-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21	ZINC000012952513	296516492	/nfs/dbraw/zinc/51/64/92/296516492.db2.gz	WXECGQJNRHPAOQ-LLVKDONJSA-N	-1	3	322.342	2.544	50	5		DFBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC1=CCCCC1	ZINC000000314776	425552789	/nfs/dbraw/zinc/55/27/89/425552789.db2.gz	YKWNGKMJKKERJD-UHFFFAOYSA-N	-1	3	310.375	2.764	50	5		DFBAHM
CCOc1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000000449848	425561369	/nfs/dbraw/zinc/56/13/69/425561369.db2.gz	JCYQPMHJRIDCNC-UHFFFAOYSA-N	-1	3	302.286	2.951	50	5		DFBAHM
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1[O-]	ZINC000000620751	425571571	/nfs/dbraw/zinc/57/15/71/425571571.db2.gz	RCEFMOGVOYEGJN-UHFFFAOYSA-N	-1	3	311.297	2.871	50	5	in-vitro	DFBAHM
Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000007428472	425644448	/nfs/dbraw/zinc/64/44/48/425644448.db2.gz	YKYWEFMQSZTRCM-UHFFFAOYSA-N	-1	3	310.306	2.843	50	5		DFBAHM
O=C([N-]c1nc(-c2cccnc2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000004138506	181077897	/nfs/dbraw/zinc/07/78/97/181077897.db2.gz	RKVUXHCJXUCTCZ-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
O=[N+]([O-])c1ccccc1NC([O-])=NOCCc1ccccc1	ZINC000004318211	181097533	/nfs/dbraw/zinc/09/75/33/181097533.db2.gz	YVBRXONQHXQXCN-UHFFFAOYSA-N	-1	3	301.302	2.891	50	5		DFBAHM
O=C([N-]OCCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000004318211	181097535	/nfs/dbraw/zinc/09/75/35/181097535.db2.gz	YVBRXONQHXQXCN-UHFFFAOYSA-N	-1	3	301.302	2.891	50	5		DFBAHM
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1[O-]	ZINC000005059831	181198670	/nfs/dbraw/zinc/19/86/70/181198670.db2.gz	SVOJDAYCMFLNEE-UHFFFAOYSA-N	-1	3	322.704	2.971	50	5		DFBAHM
O=C(CCc1ccc([N+](=O)[O-])cc1)c1c(O)cc([O-])cc1O	ZINC000002556279	425597035	/nfs/dbraw/zinc/59/70/35/425597035.db2.gz	VCSSZOJJYHKTRY-UHFFFAOYSA-N	-1	3	303.270	2.527	50	5	in-vitro	DFBAHM
O=C([N-]c1nonc1-c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000008869479	425677800	/nfs/dbraw/zinc/67/78/00/425677800.db2.gz	QRDXACKSZMYOAM-UHFFFAOYSA-N	-1	3	310.269	2.897	50	5		DFBAHM
Cc1[nH]c2ncnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)c2c1C	ZINC000183580077	427295440	/nfs/dbraw/zinc/29/54/40/427295440.db2.gz	RHBGFGFCTUANNA-UHFFFAOYSA-N	-1	3	317.330	2.797	50	5		DFBAHM
Cc1nccc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nnn[n-]1	ZINC000072447055	191169008	/nfs/dbraw/zinc/16/90/08/191169008.db2.gz	AORKGHVOBSNHJZ-UHFFFAOYSA-N	-1	3	316.708	2.799	50	5		DFBAHM
Cc1nccc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nn[n-]n1	ZINC000072447055	191169009	/nfs/dbraw/zinc/16/90/09/191169009.db2.gz	AORKGHVOBSNHJZ-UHFFFAOYSA-N	-1	3	316.708	2.799	50	5		DFBAHM
O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c[n-]nc21	ZINC000001422277	180864659	/nfs/dbraw/zinc/86/46/59/180864659.db2.gz	JOTAARWDEGQFPR-UHFFFAOYSA-N	-1	3	314.276	2.540	50	5		DFBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1	ZINC000003093876	425609962	/nfs/dbraw/zinc/60/99/62/425609962.db2.gz	AJHRKNXUMHRVRE-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
Cc1ccc([N-]C(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000004104332	425617269	/nfs/dbraw/zinc/61/72/69/425617269.db2.gz	VGCXCOJYMWDTRD-UHFFFAOYSA-N	-1	3	305.315	2.623	50	5		DFBAHM
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1	ZINC000000304323	180753793	/nfs/dbraw/zinc/75/37/93/180753793.db2.gz	IKWBQSXCLRVUNN-UHFFFAOYSA-N	-1	3	310.306	2.843	50	5		DFBAHM
O=Cc1ccc(Sc2nnc(-c3ccco3)[n-]2)c([N+](=O)[O-])c1	ZINC000005649653	181267897	/nfs/dbraw/zinc/26/78/97/181267897.db2.gz	DSDQSUWFZNTFRL-UHFFFAOYSA-N	-1	3	316.298	2.937	50	5		DFBAHM
O=Cc1ccc(Sc2nc(-c3ccco3)n[n-]2)c([N+](=O)[O-])c1	ZINC000005649653	181267900	/nfs/dbraw/zinc/26/79/00/181267900.db2.gz	DSDQSUWFZNTFRL-UHFFFAOYSA-N	-1	3	316.298	2.937	50	5		DFBAHM
O=Cc1ccc(Sc2n[n-]c(-c3ccco3)n2)c([N+](=O)[O-])c1	ZINC000005649653	181267903	/nfs/dbraw/zinc/26/79/03/181267903.db2.gz	DSDQSUWFZNTFRL-UHFFFAOYSA-N	-1	3	316.298	2.937	50	5		DFBAHM
COc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c2cccnc12	ZINC000056304523	184009625	/nfs/dbraw/zinc/00/96/25/184009625.db2.gz	MDLKTUSDWUEGDS-UHFFFAOYSA-N	-1	3	313.269	2.997	50	5		DFBAHM
O=c1nc2ccc(Cl)cc2c2[n-]c(=O)c(-c3ccccc3)nn12	ZINC000071924192	285226310	/nfs/dbraw/zinc/22/63/10/285226310.db2.gz	RKESIFLIMOBORL-UHFFFAOYSA-N	-1	3	324.727	2.664	50	5		DFBAHM
Cc1ccc(NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c([O-])c1	ZINC000009468838	425688897	/nfs/dbraw/zinc/68/88/97/425688897.db2.gz	BTXICFSUWNQJAW-UHFFFAOYSA-N	-1	3	315.329	2.927	50	5		DFBAHM
O=C(Cc1ccccc1)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000004754349	181148439	/nfs/dbraw/zinc/14/84/39/181148439.db2.gz	KYEJQNIRSAZNPH-UHFFFAOYSA-N	-1	3	315.354	2.651	50	5		DFBAHM
Cc1c([O-])ccc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1O	ZINC000005678351	181271376	/nfs/dbraw/zinc/27/13/76/181271376.db2.gz	XUYMVGAKABYHEI-UHFFFAOYSA-N	-1	3	303.270	2.576	50	5		DFBAHM
CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000040061654	183030542	/nfs/dbraw/zinc/03/05/42/183030542.db2.gz	VZXHFUBPHHMFHE-UHFFFAOYSA-N	-1	3	306.771	2.715	50	5		DFBAHM
O=C([N-]c1ccccc1F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002780081	425601919	/nfs/dbraw/zinc/60/19/19/425601919.db2.gz	VWOJHSAICULOJX-UHFFFAOYSA-N	-1	3	305.221	2.894	50	5		DFBAHM
CC(C)(C)Cc1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000096494221	426435943	/nfs/dbraw/zinc/43/59/43/426435943.db2.gz	SOXJSEWDYPJVGV-UHFFFAOYSA-N	-1	3	309.351	2.615	50	5		DFBAHM
Cc1cc(=O)[n-]c([C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n1	ZINC000253417263	427204117	/nfs/dbraw/zinc/20/41/17/427204117.db2.gz	HLMOCNSNXFTEAZ-LBPRGKRZSA-N	-1	3	316.361	2.634	50	5		DFBAHM
COc1cc(=O)c2c([O-])c3c(ccc(OC)c3OC)oc-2c1	ZINC000006719013	277386046	/nfs/dbraw/zinc/38/60/46/277386046.db2.gz	VYRIGRQQKUZPEX-UHFFFAOYSA-N	-1	3	302.282	2.678	50	5	biogenic,in-vitro	DFBAHM
COc1cc([O-])c2c(c1)oc1ccc(OC)c(OC)c1c2=O	ZINC000006719013	277386047	/nfs/dbraw/zinc/38/60/47/277386047.db2.gz	VYRIGRQQKUZPEX-UHFFFAOYSA-N	-1	3	302.282	2.678	50	5	biogenic,in-vitro	DFBAHM
O=C([N-]c1nnc(-c2cccs2)o1)c1cccc([N+](=O)[O-])c1	ZINC000004330323	181098638	/nfs/dbraw/zinc/09/86/38/181098638.db2.gz	QPUSITKQBFAHIW-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
O=C([N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccno1	ZINC000010253834	425700517	/nfs/dbraw/zinc/70/05/17/425700517.db2.gz	IBAPHQVNZZYWOC-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccccc1F	ZINC000004663403	181133716	/nfs/dbraw/zinc/13/37/16/181133716.db2.gz	CXTVIGPDAONJNQ-UHFFFAOYSA-N	-1	3	319.317	2.861	50	5		DFBAHM
CCOc1ccc([N-]C(=O)c2c(C)noc2C)c([N+](=O)[O-])c1	ZINC000061997288	184200458	/nfs/dbraw/zinc/20/04/58/184200458.db2.gz	IGPRHOOIMGJGLV-UHFFFAOYSA-N	-1	3	305.290	2.851	50	5		DFBAHM
Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)[N-]c1ccncc1C	ZINC000096433483	426423410	/nfs/dbraw/zinc/42/34/10/426423410.db2.gz	RALRUEBRXBFNDA-UHFFFAOYSA-N	-1	3	321.358	2.716	50	5		DFBAHM
Cn1cc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cn1	ZINC000252501903	427183783	/nfs/dbraw/zinc/18/37/83/427183783.db2.gz	UKZNRIRPVPQWAF-UHFFFAOYSA-N	-1	3	319.324	2.974	50	5		DFBAHM
Cc1[n-]c2n[nH]c(=O)c-2c2c3cc(Cl)ccc3oc(=O)c12	ZINC000020085976	282005897	/nfs/dbraw/zinc/00/58/97/282005897.db2.gz	IBGRNKSPPGFIST-UHFFFAOYSA-N	-1	3	301.689	2.885	50	5		DFBAHM
COc1ccc(Cl)cc1[N-]C(=O)c1noc(C)c1[N+](=O)[O-]	ZINC000004937327	181175638	/nfs/dbraw/zinc/17/56/38/181175638.db2.gz	BLKGHIXLWHGIKK-UHFFFAOYSA-N	-1	3	311.681	2.806	50	5		DFBAHM
Cc1c([N-]S(=O)(=O)Cc2ccccc2)cccc1[N+](=O)[O-]	ZINC000000287869	425550834	/nfs/dbraw/zinc/55/08/34/425550834.db2.gz	WPIRQXUGUBKGMJ-UHFFFAOYSA-N	-1	3	306.343	2.845	50	5		DFBAHM
COc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1[N+](=O)[O-]	ZINC000009479147	425689818	/nfs/dbraw/zinc/68/98/18/425689818.db2.gz	QBEPQRDUHMGEQI-UHFFFAOYSA-N	-1	3	302.286	2.870	50	5		DFBAHM
O=C([N-]c1ccc(-c2ccco2)cc1F)c1n[nH]cc1[N+](=O)[O-]	ZINC000390835410	323343553	/nfs/dbraw/zinc/34/35/53/323343553.db2.gz	MUSACBCIICNRKI-UHFFFAOYSA-N	-1	3	316.248	2.969	50	5		DFBAHM
Cc1c([N-]S(=O)(=O)Cc2cccc(F)c2)cccc1[N+](=O)[O-]	ZINC000095447381	185367852	/nfs/dbraw/zinc/36/78/52/185367852.db2.gz	LWTQHGYPMBVMGE-UHFFFAOYSA-N	-1	3	324.333	2.984	50	5		DFBAHM
O=C(Nc1cccc([N+](=O)[O-])c1)C(=S)[N-]C1CCCCC1	ZINC000020457239	182220202	/nfs/dbraw/zinc/22/02/02/182220202.db2.gz	UEVSUDXFRMRSIL-UHFFFAOYSA-N	-1	3	307.375	2.783	50	5		DFBAHM
O=C(Nc1ncccc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000022262535	182315760	/nfs/dbraw/zinc/31/57/60/182315760.db2.gz	BPJRBLNUWZXVSO-UHFFFAOYSA-N	-1	3	314.301	2.522	50	5		DFBAHM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000105057600	194068129	/nfs/dbraw/zinc/06/81/29/194068129.db2.gz	MEYXPYMSUMTGNP-UHFFFAOYSA-N	-1	3	319.233	2.850	50	5		DFBAHM
COc1cc(C(=O)Nc2ccccc2[O-])c([N+](=O)[O-])cc1OC	ZINC000058356974	184108379	/nfs/dbraw/zinc/10/83/79/184108379.db2.gz	DQJGEBZPQFTOKB-UHFFFAOYSA-N	-1	3	318.285	2.570	50	5		DFBAHM
O=c1[n-]c2c3ccccc3nc(=S)n2nc1-c1ccc(F)cc1	ZINC000071924271	285227212	/nfs/dbraw/zinc/22/72/12/285227212.db2.gz	LLDNWGSBPQBVBS-UHFFFAOYSA-N	-1	3	324.340	2.733	50	5		DFBAHM
COc1cc(CN(C)Cc2c(C)noc2C)c([N+](=O)[O-])cc1[O-]	ZINC000091814666	542543066	/nfs/dbraw/zinc/54/30/66/542543066.db2.gz	FPCMMEHHRNLOFA-UHFFFAOYSA-N	-1	3	321.333	2.546	50	5		DFBAHM
COC(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004281353	181092231	/nfs/dbraw/zinc/09/22/31/181092231.db2.gz	RXXAODFUYOGAJE-UHFFFAOYSA-N	-1	3	312.328	2.757	50	5		DFBAHM
CN(C)c1cc(Nc2cccc([O-])c2)c([N+](=O)[O-])c2nonc21	ZINC000005032641	181193641	/nfs/dbraw/zinc/19/36/41/181193641.db2.gz	DDOYWXWZKWCSAW-UHFFFAOYSA-N	-1	3	315.289	2.646	50	5		DFBAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000000124839	425536914	/nfs/dbraw/zinc/53/69/14/425536914.db2.gz	ZHYXXNPABNYAJK-LLVKDONJSA-N	-1	3	306.343	2.634	50	5		DFBAHM
O=C([N-]c1nonc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000008869481	425678067	/nfs/dbraw/zinc/67/80/67/425678067.db2.gz	FRCWKEFVJYJSAI-UHFFFAOYSA-N	-1	3	310.269	2.897	50	5		DFBAHM
Cc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005077773	425623932	/nfs/dbraw/zinc/62/39/32/425623932.db2.gz	SFZBSCPXOCGYFC-UHFFFAOYSA-N	-1	3	310.306	2.843	50	5		DFBAHM
O=C([N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1csnn1	ZINC000011914890	425715449	/nfs/dbraw/zinc/71/54/49/425715449.db2.gz	LDRWWKBENYXOFL-UHFFFAOYSA-N	-1	3	318.236	2.717	50	5		DFBAHM
O=C(Nc1ccccc1[O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000033226532	425841524	/nfs/dbraw/zinc/84/15/24/425841524.db2.gz	LEJDGBYMELTTFL-UHFFFAOYSA-N	-1	3	324.296	2.738	50	5		DFBAHM
COc1cc([N+](=O)[O-])ccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004070842	181069361	/nfs/dbraw/zinc/06/93/61/181069361.db2.gz	MLLZDZUODBKUEA-UHFFFAOYSA-N	-1	3	323.286	2.825	50	5		DFBAHM
Cc1cc(OC(=O)c2cccc3ccccc32)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248385	181087648	/nfs/dbraw/zinc/08/76/48/181087648.db2.gz	PSXKLCWAJZFDOA-UHFFFAOYSA-N	-1	3	324.292	2.964	50	5		DFBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1F	ZINC000226862409	426624842	/nfs/dbraw/zinc/62/48/42/426624842.db2.gz	BLXRYHXSEBQPHB-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000003880692	181051681	/nfs/dbraw/zinc/05/16/81/181051681.db2.gz	FCKGXEVHAIHNPA-UHFFFAOYSA-N	-1	3	301.327	2.722	50	5		DFBAHM
COC(=O)COc1cc(=O)c2c([O-])c3cccc(C)c3oc-2c1	ZINC000004090123	181072024	/nfs/dbraw/zinc/07/20/24/181072024.db2.gz	BMPSSKFVDNCMSZ-UHFFFAOYSA-N	-1	3	314.293	2.512	50	5		DFBAHM
COC(=O)COc1cc([O-])c2c(c1)oc1c(C)cccc1c2=O	ZINC000004090123	181072027	/nfs/dbraw/zinc/07/20/27/181072027.db2.gz	BMPSSKFVDNCMSZ-UHFFFAOYSA-N	-1	3	314.293	2.512	50	5		DFBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000004104333	181073573	/nfs/dbraw/zinc/07/35/73/181073573.db2.gz	KMPLPMUWMSJPBW-UHFFFAOYSA-N	-1	3	307.356	2.783	50	5		DFBAHM
COc1cc(CN(C)Cc2ccoc2C)c([N+](=O)[O-])cc1[O-]	ZINC000092451842	542547019	/nfs/dbraw/zinc/54/70/19/542547019.db2.gz	WZGZRFKKIAFKTB-UHFFFAOYSA-N	-1	3	306.318	2.842	50	5		DFBAHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCCCC1	ZINC000002512858	425594244	/nfs/dbraw/zinc/59/42/44/425594244.db2.gz	QMZULJCUFXOVHQ-UHFFFAOYSA-N	-1	3	318.782	2.859	50	5		DFBAHM
CCSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002773683	425602216	/nfs/dbraw/zinc/60/22/16/425602216.db2.gz	NSCDRZIEDJOTBQ-UHFFFAOYSA-N	-1	3	310.360	2.811	50	5		DFBAHM
CNc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1[N+](=O)[O-]	ZINC000008030422	425658939	/nfs/dbraw/zinc/65/89/39/425658939.db2.gz	OMXNBLVZTYARHK-UHFFFAOYSA-N	-1	3	301.302	2.903	50	5		DFBAHM
COc1cccc2c(=O)c3c([O-])c(OC)c(OC)cc3oc12	ZINC000014764110	425775014	/nfs/dbraw/zinc/77/50/14/425775014.db2.gz	FFVKXGZKJBHJMS-UHFFFAOYSA-N	-1	3	302.282	2.678	50	5	biogenic,in-vitro	DFBAHM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]Cc2ccco2)c([N+](=O)[O-])c1	ZINC000104242509	336223271	/nfs/dbraw/zinc/22/32/71/336223271.db2.gz	RQLTZGSBJXGTSW-UHFFFAOYSA-N	-1	3	308.206	2.616	50	5		DFBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccc(F)c1	ZINC000004599756	181128984	/nfs/dbraw/zinc/12/89/84/181128984.db2.gz	MVICNNXTMZDXMA-UHFFFAOYSA-N	-1	3	319.317	2.861	50	5		DFBAHM
Cc1cc(=O)[n-]c([C@@H](C)N(C)CCc2ccccc2[N+](=O)[O-])n1	ZINC000253417257	427204903	/nfs/dbraw/zinc/20/49/03/427204903.db2.gz	HLMOCNSNXFTEAZ-GFCCVEGCSA-N	-1	3	316.361	2.634	50	5		DFBAHM
O=C(NCc1ccc([O-])c(F)c1)Nc1ccc([N+](=O)[O-])cc1	ZINC000072291895	398615166	/nfs/dbraw/zinc/61/51/66/398615166.db2.gz	FVRAHMAHWBCPDF-UHFFFAOYSA-N	-1	3	305.265	2.761	50	5		DFBAHM
O=C(/C=C/c1ccco1)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000004754548	181148425	/nfs/dbraw/zinc/14/84/25/181148425.db2.gz	OJSYHNGYPDIELN-BQYQJAHWSA-N	-1	3	317.326	2.714	50	5		DFBAHM
CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000018142666	182094408	/nfs/dbraw/zinc/09/44/08/182094408.db2.gz	FTHBOQWEJRWTTI-UHFFFAOYSA-N	-1	3	306.347	2.996	50	5		DFBAHM
O=C([N-]c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccno1	ZINC000010253879	425700462	/nfs/dbraw/zinc/70/04/62/425700462.db2.gz	VNSQOHVXXBHQTH-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
CCc1ccc(-c2nn3c(=O)nc4ccccc4c3[n-]c2=O)cc1	ZINC000071924135	426005560	/nfs/dbraw/zinc/00/55/60/426005560.db2.gz	BNUFXBQJCFCIOH-UHFFFAOYSA-N	-1	3	318.336	2.573	50	5		DFBAHM
Cc1cc(OC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248405	181087659	/nfs/dbraw/zinc/08/76/59/181087659.db2.gz	WMMUZFPLYGJICO-UHFFFAOYSA-N	-1	3	314.253	2.557	50	5		DFBAHM
O=[N+]([O-])c1ccc([N-]c2nc(Cl)nc(N3CCCC3)n2)cc1	ZINC000005390834	181237746	/nfs/dbraw/zinc/23/77/46/181237746.db2.gz	XXFCCAFITUSSCF-UHFFFAOYSA-N	-1	3	320.740	2.777	50	5		DFBAHM
O=[N+]([O-])c1cc(Cl)cc2n[n-]c(I)c21	ZINC000014983711	285088271	/nfs/dbraw/zinc/08/82/71/285088271.db2.gz	FADCULZWTHEJND-UHFFFAOYSA-N	-1	3	323.477	2.729	50	5		DFBAHM
O=[N+]([O-])c1cc(Cl)cc2[n-]nc(I)c21	ZINC000014983711	285088272	/nfs/dbraw/zinc/08/82/72/285088272.db2.gz	FADCULZWTHEJND-UHFFFAOYSA-N	-1	3	323.477	2.729	50	5		DFBAHM
O=c1[n-]c2c3ccccc3nc(=S)n2nc1-c1ccccc1	ZINC000032934914	285226712	/nfs/dbraw/zinc/22/67/12/285226712.db2.gz	MCPSUUQQBCEQNH-UHFFFAOYSA-N	-1	3	306.350	2.593	50	5		DFBAHM
Cc1cc(C)c([N-]C(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000005361601	425623280	/nfs/dbraw/zinc/62/32/80/425623280.db2.gz	KHKFBKLAMHHMFL-UHFFFAOYSA-N	-1	3	319.342	2.931	50	5		DFBAHM
Cc1cc(OC(=O)CCC2CCCCC2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248332	181088032	/nfs/dbraw/zinc/08/80/32/181088032.db2.gz	GAAKSIKAPXGRPH-UHFFFAOYSA-N	-1	3	308.334	2.857	50	5		DFBAHM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000000124835	425537549	/nfs/dbraw/zinc/53/75/49/425537549.db2.gz	ZHYXXNPABNYAJK-NSHDSACASA-N	-1	3	306.343	2.634	50	5		DFBAHM
CC(C)(C)c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000000318718	425553026	/nfs/dbraw/zinc/55/30/26/425553026.db2.gz	BRPKDYSLOAGHIF-UHFFFAOYSA-N	-1	3	306.347	2.996	50	5		DFBAHM
Cc1nn(C)cc1-c1cc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1	ZINC000002100638	425589565	/nfs/dbraw/zinc/58/95/65/425589565.db2.gz	OQOARZVBERCMIT-UHFFFAOYSA-N	-1	3	301.262	2.693	50	5		DFBAHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccccc1[N+](=O)[O-]	ZINC000002131802	425590014	/nfs/dbraw/zinc/59/00/14/425590014.db2.gz	UKYBPUKCPILCOY-UHFFFAOYSA-N	-1	3	305.221	2.894	50	5		DFBAHM
O=C([N-]c1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1	ZINC000004330259	181098668	/nfs/dbraw/zinc/09/86/68/181098668.db2.gz	HWFKGCJVIGPRRM-UHFFFAOYSA-N	-1	3	310.269	2.897	50	5		DFBAHM
COc1ccc(C(=O)[N-]c2nnc(C(C)C)s2)cc1[N+](=O)[O-]	ZINC000000461740	425563489	/nfs/dbraw/zinc/56/34/89/425563489.db2.gz	YTBJESANDWUUDL-UHFFFAOYSA-N	-1	3	322.346	2.831	50	5		DFBAHM
CN(C)c1nc2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)ccc2o1	ZINC000089326933	426287057	/nfs/dbraw/zinc/28/70/57/426287057.db2.gz	HJNPNFKETYBACO-UHFFFAOYSA-N	-1	3	316.273	2.647	50	5		DFBAHM
O=C([N-]OCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004318212	181097155	/nfs/dbraw/zinc/09/71/55/181097155.db2.gz	BTZWXJJKTSFJFK-UHFFFAOYSA-N	-1	3	301.302	2.891	50	5		DFBAHM
COc1ccc(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-]	ZINC000006174593	425626167	/nfs/dbraw/zinc/62/61/67/425626167.db2.gz	STJDSMBTMHGNAL-UHFFFAOYSA-N	-1	3	320.330	2.585	50	5		DFBAHM
Cc1ccc([O-])c(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)c1	ZINC000048299823	425874442	/nfs/dbraw/zinc/87/44/42/425874442.db2.gz	TXYAEQUJCBOXBI-UHFFFAOYSA-N	-1	3	300.314	2.881	50	5		DFBAHM
O=C([N-]c1ccc(-c2ccccn2)cn1)c1ccc([N+](=O)[O-])o1	ZINC000089883973	426315064	/nfs/dbraw/zinc/31/50/64/426315064.db2.gz	HQDHZGKXJPGACK-UHFFFAOYSA-N	-1	3	310.269	2.897	50	5		DFBAHM
Cc1cc(OC(=O)CCCc2ccccc2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248399	181087878	/nfs/dbraw/zinc/08/78/78/181087878.db2.gz	VOVYOSIBKYYSEF-UHFFFAOYSA-N	-1	3	316.313	2.520	50	5		DFBAHM
O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1	ZINC000003016637	284442361	/nfs/dbraw/zinc/44/23/61/284442361.db2.gz	VCMCIZDYZMLCSH-UHFFFAOYSA-N	-1	3	318.236	2.717	50	5		DFBAHM
O=c1[n-]c2c3ccccc3nc(=S)n2nc1Cc1ccccc1	ZINC000032937936	285226956	/nfs/dbraw/zinc/22/69/56/285226956.db2.gz	CUFIIJRLASQQAU-UHFFFAOYSA-N	-1	3	320.377	2.517	50	5		DFBAHM
CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000000051396	425531328	/nfs/dbraw/zinc/53/13/28/425531328.db2.gz	LKTPNEGKRNORMO-UHFFFAOYSA-N	-1	3	306.347	2.897	50	5		DFBAHM
CCSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000002187097	425590257	/nfs/dbraw/zinc/59/02/57/425590257.db2.gz	PUMSKWHEQKGHFR-UHFFFAOYSA-N	-1	3	310.360	2.811	50	5		DFBAHM
CCOc1ccc(C(=O)[N-]c2nnc(CC)s2)cc1[N+](=O)[O-]	ZINC000000449909	180795117	/nfs/dbraw/zinc/79/51/17/180795117.db2.gz	KLWKYHFXERAJMP-UHFFFAOYSA-N	-1	3	322.346	2.660	50	5		DFBAHM
COc1ccccc1[N-]c1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000004321118	181097388	/nfs/dbraw/zinc/09/73/88/181097388.db2.gz	LSCUVICJWJSLBF-UHFFFAOYSA-N	-1	3	320.261	2.659	50	5		DFBAHM
CCN(CC)c1nc(N)c([N+](=O)[O-])c([N-]c2ccccc2F)n1	ZINC000005054776	181197892	/nfs/dbraw/zinc/19/78/92/181197892.db2.gz	FWPIHVQVZZMZIZ-UHFFFAOYSA-N	-1	3	320.328	2.696	50	5		DFBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000005119942	181205652	/nfs/dbraw/zinc/20/56/52/181205652.db2.gz	SCGJANYUHWVRBW-UHFFFAOYSA-N	-1	3	319.317	2.861	50	5		DFBAHM
CC(C)(C)c1cc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2)on1	ZINC000005280819	181225942	/nfs/dbraw/zinc/22/59/42/181225942.db2.gz	URGBPMKRYFGRDB-UHFFFAOYSA-N	-1	3	319.317	2.898	50	5		DFBAHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCC2)c1	ZINC000005506488	181251154	/nfs/dbraw/zinc/25/11/54/181251154.db2.gz	SNHOZQYKCQEKBG-UHFFFAOYSA-N	-1	3	318.782	2.859	50	5		DFBAHM
O=c1[n-]c2c3ccc(F)cc3nc(=S)n2nc1-c1ccccc1	ZINC000069982237	285227136	/nfs/dbraw/zinc/22/71/36/285227136.db2.gz	TUINLUSGSVXKGW-UHFFFAOYSA-N	-1	3	324.340	2.733	50	5		DFBAHM
O=C([N-]c1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000000239524	425548511	/nfs/dbraw/zinc/54/85/11/425548511.db2.gz	GMFTUXQMPOLTIV-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1	ZINC000007357315	425641904	/nfs/dbraw/zinc/64/19/04/425641904.db2.gz	HQYRYNBBPFYREU-UHFFFAOYSA-N	-1	3	321.358	2.595	50	5		DFBAHM
CCc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1	ZINC000007357438	425642433	/nfs/dbraw/zinc/64/24/33/425642433.db2.gz	NZPXAZFXRZTBTR-UHFFFAOYSA-N	-1	3	321.358	2.540	50	5		DFBAHM
O=C([N-]c1nnc(-c2ccco2)s1)c1cccc([N+](=O)[O-])c1	ZINC000017248577	425787945	/nfs/dbraw/zinc/78/79/45/425787945.db2.gz	IWRKDYHKPAPOIZ-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
O=C(Nc1cccc(F)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000028026941	425819694	/nfs/dbraw/zinc/81/96/94/425819694.db2.gz	BTXWRBQLXPBSPY-UHFFFAOYSA-N	-1	3	300.249	2.863	50	5		DFBAHM
Cc1cc(C(=O)[N-]c2ccncc2[N+](=O)[O-])nn1-c1ccccc1	ZINC000067169616	398421326	/nfs/dbraw/zinc/42/13/26/398421326.db2.gz	HQYBPAJSSYSPRX-UHFFFAOYSA-N	-1	3	323.312	2.736	50	5		DFBAHM
CCc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(O)cc1[O-]	ZINC000000569885	180824067	/nfs/dbraw/zinc/82/40/67/180824067.db2.gz	WZTVEHWKFICEBT-UHFFFAOYSA-N	-1	3	317.297	2.830	50	5		DFBAHM
O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000004616463	181129772	/nfs/dbraw/zinc/12/97/72/181129772.db2.gz	NCIKRZGFPUKLJD-UHFFFAOYSA-N	-1	3	314.269	2.674	50	5		DFBAHM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000000438655	425562250	/nfs/dbraw/zinc/56/22/50/425562250.db2.gz	KODDSCXBIOKAGE-UHFFFAOYSA-N	-1	3	306.343	2.845	50	5		DFBAHM
CCc1cc(C(=O)COc2ccccc2[N+](=O)[O-])c(O)cc1[O-]	ZINC000000569897	425569623	/nfs/dbraw/zinc/56/96/23/425569623.db2.gz	LUFQOMWNJSMSMQ-UHFFFAOYSA-N	-1	3	317.297	2.830	50	5		DFBAHM
CCOC(=O)COc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000008476747	425669143	/nfs/dbraw/zinc/66/91/43/425669143.db2.gz	MNDDVNNUUPBREF-UHFFFAOYSA-N	-1	3	314.293	2.594	50	5		DFBAHM
CCOC(=O)COc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000008476747	425669148	/nfs/dbraw/zinc/66/91/48/425669148.db2.gz	MNDDVNNUUPBREF-UHFFFAOYSA-N	-1	3	314.293	2.594	50	5		DFBAHM
O=C([N-]c1nc(-c2ccncc2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000004063467	181068695	/nfs/dbraw/zinc/06/86/95/181068695.db2.gz	CGBVRMMQZJTHDL-UHFFFAOYSA-N	-1	3	316.298	2.959	50	5		DFBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1C	ZINC000004194745	181084215	/nfs/dbraw/zinc/08/42/15/181084215.db2.gz	JZLGWRBRTHFOIK-UHFFFAOYSA-N	-1	3	324.314	2.987	50	5		DFBAHM
CN(C)Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000166142240	398993104	/nfs/dbraw/zinc/99/31/04/398993104.db2.gz	XRRSXXITIOFMAA-UHFFFAOYSA-N	-1	3	315.329	2.614	50	5		DFBAHM
CCSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000002754716	425602397	/nfs/dbraw/zinc/60/23/97/425602397.db2.gz	PWLZGGVFIUIUNR-UHFFFAOYSA-N	-1	3	310.360	2.811	50	5		DFBAHM
O=[N+]([O-])c1cc([N-]S(=O)(=O)Cc2ccccc2)ccc1F	ZINC000000255687	425549596	/nfs/dbraw/zinc/54/95/96/425549596.db2.gz	ZQQWIZXQTBXFJL-UHFFFAOYSA-N	-1	3	310.306	2.676	50	5		DFBAHM
COc1ccccc1OC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21	ZINC000048863650	425877703	/nfs/dbraw/zinc/87/77/03/425877703.db2.gz	KXMZNJJDNVGXNE-UHFFFAOYSA-N	-1	3	313.269	2.699	50	5		DFBAHM
COc1ccccc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000048863650	425877704	/nfs/dbraw/zinc/87/77/04/425877704.db2.gz	KXMZNJJDNVGXNE-UHFFFAOYSA-N	-1	3	313.269	2.699	50	5		DFBAHM
Cc1cccc2c1nc(=S)n1nc(-c3ccccc3)c(=O)[n-]c21	ZINC000071924203	426005099	/nfs/dbraw/zinc/00/50/99/426005099.db2.gz	MMHBCXWWMDWREK-UHFFFAOYSA-N	-1	3	320.377	2.902	50	5		DFBAHM
O=C(NC1CC1)c1ccc(Nc2cccc([O-])c2)c([N+](=O)[O-])c1	ZINC000096361330	426413526	/nfs/dbraw/zinc/41/35/26/426413526.db2.gz	WRZFFHZAJWSDCZ-UHFFFAOYSA-N	-1	3	313.313	2.936	50	5		DFBAHM
CC(C)C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C	ZINC000000450377	425561451	/nfs/dbraw/zinc/56/14/51/425561451.db2.gz	FJKRODFOJPAOJT-UHFFFAOYSA-N	-1	3	300.380	2.554	50	5		DFBAHM
O=C([N-]c1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1	ZINC000001226778	425576646	/nfs/dbraw/zinc/57/66/46/425576646.db2.gz	BDOKZUVVJDIWCE-UHFFFAOYSA-N	-1	3	318.236	2.717	50	5		DFBAHM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2O)c([N+](=O)[O-])c1	ZINC000104228813	425960807	/nfs/dbraw/zinc/96/08/07/425960807.db2.gz	SZULRCKZZUDMGB-UHFFFAOYSA-N	-1	3	320.217	2.860	50	5		DFBAHM
O=c1[nH]c2cc([N+](=O)[O-])ccc2nc1C=C([O-])c1ccccc1	ZINC000100721505	426483202	/nfs/dbraw/zinc/48/32/02/426483202.db2.gz	UHTZVMZSJBNZNV-UHFFFAOYSA-N	-1	3	309.281	2.669	50	5		DFBAHM
CCc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000001513881	425581468	/nfs/dbraw/zinc/58/14/68/425581468.db2.gz	RAUOMGKLVVHORO-UHFFFAOYSA-N	-1	3	312.738	2.914	50	5		DFBAHM
O=C1[N-]c2ccccc2Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c21	ZINC000002025124	275026132	/nfs/dbraw/zinc/02/61/32/275026132.db2.gz	KLNXLERKYIWYAC-UHFFFAOYSA-N	-1	3	301.214	2.861	50	5		DFBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000003224998	425611104	/nfs/dbraw/zinc/61/11/04/425611104.db2.gz	IWYAOOVEIHPMFH-UHFFFAOYSA-N	-1	3	323.286	2.825	50	5		DFBAHM
O=c1[nH]cccc1-c1c2c[nH]nc2nc2c3ccc([O-])cc3oc21	ZINC000218313031	426568455	/nfs/dbraw/zinc/56/84/55/426568455.db2.gz	IKMOSHBKMGITDL-UHFFFAOYSA-N	-1	3	318.292	2.918	50	5		DFBAHM
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)(C)C)c2[O-])n1	ZINC000274797934	426839422	/nfs/dbraw/zinc/83/94/22/426839422.db2.gz	JFIZNPWHEQUGCB-UHFFFAOYSA-N	-1	3	318.333	2.584	50	5		DFBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1noc2c1CCCC2	ZINC000020258778	277939937	/nfs/dbraw/zinc/93/99/37/277939937.db2.gz	DIIUUZDFMBZNNX-UHFFFAOYSA-N	-1	3	317.301	2.723	50	5		DFBAHM
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)[N-]c1ccccc1F	ZINC000000452590	331462786	/nfs/dbraw/zinc/46/27/86/331462786.db2.gz	FGZQPOSMCJYIAD-UHFFFAOYSA-N	-1	3	318.260	2.773	50	5		DFBAHM
Cc1ccc([O-])c(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c1	ZINC000004937485	181175788	/nfs/dbraw/zinc/17/57/88/181175788.db2.gz	RTFOTYYCYUJGEH-UHFFFAOYSA-N	-1	3	305.290	2.973	50	5		DFBAHM
Cc1cc(OC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000013878776	425763151	/nfs/dbraw/zinc/76/31/51/425763151.db2.gz	HHIPKVYUCADGNS-UHFFFAOYSA-N	-1	3	324.292	2.964	50	5		DFBAHM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000004131081	181077551	/nfs/dbraw/zinc/07/75/51/181077551.db2.gz	JKGZNWLZHLJHRI-UHFFFAOYSA-N	-1	3	310.306	2.843	50	5		DFBAHM
O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2ccccc21	ZINC000028027376	182505317	/nfs/dbraw/zinc/50/53/17/182505317.db2.gz	BLSAXKXZAXZFMK-UHFFFAOYSA-N	-1	3	308.297	2.674	50	5		DFBAHM
O=C([N-]c1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])o1	ZINC000004486911	425619315	/nfs/dbraw/zinc/61/93/15/425619315.db2.gz	KNNHKMUNFQGQMK-UHFFFAOYSA-N	-1	3	307.262	3.189	50	5		DFBAHM
CCOc1ccc([N-]C(=O)c2noc(C)c2C)c([N+](=O)[O-])c1	ZINC000013641128	425757108	/nfs/dbraw/zinc/75/71/08/425757108.db2.gz	OJXDPOOLNLIIFU-UHFFFAOYSA-N	-1	3	305.290	2.851	50	5		DFBAHM
CC(C)(C)c1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000000096035	425535445	/nfs/dbraw/zinc/53/54/45/425535445.db2.gz	LIGLEBVIZHIHCO-UHFFFAOYSA-N	-1	3	306.347	2.996	50	5		DFBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCCCCCC1	ZINC000000326685	425553842	/nfs/dbraw/zinc/55/38/42/425553842.db2.gz	WTVCSVAQQCCHLN-UHFFFAOYSA-N	-1	3	312.391	2.986	50	5		DFBAHM
Cc1nc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1	ZINC000075107493	426063033	/nfs/dbraw/zinc/06/30/33/426063033.db2.gz	ZOZMQVHWBDIWQO-UHFFFAOYSA-N	-1	3	317.330	2.797	50	5		DFBAHM
Cc1cc(C)n(C[C@@H](C)CNCc2cc([O-])ccc2[N+](=O)[O-])n1	ZINC000089594086	301240108	/nfs/dbraw/zinc/24/01/08/301240108.db2.gz	CBTIZINZUAIJHB-NSHDSACASA-N	-1	3	318.377	2.540	50	5		DFBAHM