smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	ZINC000004624019	204058516	/nfs/dbraw/zinc/05/85/16/204058516.db2.gz	LHNTXHHZKWQKRY-BEFAXECRSA-N	-1	0	386.408	1.985	50	5		GDBARM
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c([N-]c2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	ZINC000100569068	205609406	/nfs/dbraw/zinc/60/94/06/205609406.db2.gz	KYHCBYPKTSEDTM-UHFFFAOYSA-N	-1	0	398.313	1.384	50	5		GDBARM
CN(c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O	ZINC000001116400	530531265	/nfs/dbraw/zinc/53/12/65/530531265.db2.gz	HGDPQIROVLYHCN-UHFFFAOYSA-N	-1	0	385.423	1.791	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1	ZINC000006145977	530540642	/nfs/dbraw/zinc/54/06/42/530540642.db2.gz	HPTPNDZUQKXJFF-XMMPIXPASA-N	-1	0	383.403	1.712	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2cc(C=O)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725222	534838307	/nfs/dbraw/zinc/83/83/07/534838307.db2.gz	PRPPHKWBLLDHNX-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003886335	204020920	/nfs/dbraw/zinc/02/09/20/204020920.db2.gz	FKLHANAHRWAYTA-CQSZACIVSA-N	-1	0	387.414	1.137	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000020182549	204704540	/nfs/dbraw/zinc/70/45/40/204704540.db2.gz	IYSOSMSCXDZUFN-JKSUJKDBSA-N	-1	0	394.347	1.527	50	5		GDBARM
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1	ZINC000002058213	570500674	/nfs/dbraw/zinc/50/06/74/570500674.db2.gz	QFKKGEUZMVZHFB-UHFFFAOYSA-N	-1	0	394.361	1.969	50	5		GDBARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000022990057	570744205	/nfs/dbraw/zinc/74/42/05/570744205.db2.gz	WGVDISWVAZBWCS-UHFFFAOYSA-N	-1	0	394.409	1.758	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1	ZINC000000952016	530531315	/nfs/dbraw/zinc/53/13/15/530531315.db2.gz	UEJZJMVUIVWINS-XMMPIXPASA-N	-1	0	389.451	1.982	50	5		GDBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc3c(c2)OCO3)cc1	ZINC000017080975	204608051	/nfs/dbraw/zinc/60/80/51/204608051.db2.gz	HYOZRBPHGFQPCE-UHFFFAOYSA-N	-1	0	396.406	1.503	50	5		GDBARM
O=C([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc2nncn2c1	ZINC000225527753	206055498	/nfs/dbraw/zinc/05/54/98/206055498.db2.gz	BCOQKTKSTXRCQJ-UHFFFAOYSA-N	-1	0	399.747	1.549	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100033270	570233943	/nfs/dbraw/zinc/23/39/43/570233943.db2.gz	IYSOSMSCXDZUFN-CVEARBPZSA-N	-1	0	394.347	1.527	50	5		GDBARM
CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000016156238	570318134	/nfs/dbraw/zinc/31/81/34/570318134.db2.gz	LMTDHXOGPOMDKG-VZUCSPMQSA-N	-1	0	382.350	1.908	50	5		GDBARM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000012521082	530556073	/nfs/dbraw/zinc/55/60/73/530556073.db2.gz	LAXMMKZGCMBZAJ-UHFFFAOYSA-N	-1	0	385.423	1.694	50	5		GDBARM
CCOC(CN(Cc1ccccc1)c1nc(N)[n-]c(=O)c1[N+](=O)[O-])OCC	ZINC000004114217	204027866	/nfs/dbraw/zinc/02/78/66/204027866.db2.gz	WFXZEUIXRHNISL-UHFFFAOYSA-N	-1	0	377.401	1.666	50	5		GDBARM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000040448002	205064845	/nfs/dbraw/zinc/06/48/45/205064845.db2.gz	WTUDJMJAHNANBL-UHFFFAOYSA-N	-1	0	396.377	1.956	50	5		GDBARM
Cn1cnnc1-c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000032833641	206092209	/nfs/dbraw/zinc/09/22/09/206092209.db2.gz	UNSCAOIPLZOLGD-UHFFFAOYSA-N	-1	0	375.366	1.897	50	5		GDBARM
CCOc1cc([C@H]2C(C(=O)OC)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000015016772	570792932	/nfs/dbraw/zinc/79/29/32/570792932.db2.gz	ATDDEYHHVLYQDE-ZDUSSCGKSA-N	-1	0	375.341	1.753	50	5		GDBARM
CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000015016771	570805976	/nfs/dbraw/zinc/80/59/76/570805976.db2.gz	ATDDEYHHVLYQDE-CYBMUJFWSA-N	-1	0	375.341	1.753	50	5		GDBARM
CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000034924586	570810094	/nfs/dbraw/zinc/81/00/94/570810094.db2.gz	UYRCRPXKGACVJM-ZDUSSCGKSA-N	-1	0	375.341	1.753	50	5		GDBARM
O=C([O-])Cc1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000005049147	204107005	/nfs/dbraw/zinc/10/70/05/204107005.db2.gz	YADQMOCGCHWYFL-UHFFFAOYSA-N	-1	0	397.343	1.847	50	5		GDBARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000009720796	204321779	/nfs/dbraw/zinc/32/17/79/204321779.db2.gz	CYAHVFSEMMNTQR-VWJVTLSUSA-N	-1	0	382.350	1.907	50	5		GDBARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000057431958	205956230	/nfs/dbraw/zinc/95/62/30/205956230.db2.gz	ZLEQMOFEEFUWDM-UHFFFAOYSA-N	-1	0	375.359	1.182	50	5		GDBARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1[O-]	ZINC000035961625	570488474	/nfs/dbraw/zinc/48/84/74/570488474.db2.gz	UVGACNYOLGHBLQ-ZDUSSCGKSA-N	-1	0	397.409	1.843	50	5		GDBARM
CS(=O)(=O)[N-]c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1	ZINC000001780548	530532009	/nfs/dbraw/zinc/53/20/09/530532009.db2.gz	KYXBIDOLIRCKFH-UHFFFAOYSA-N	-1	0	389.440	1.549	50	5		GDBARM
CCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000013897590	570738736	/nfs/dbraw/zinc/73/87/36/570738736.db2.gz	LMTDHXOGPOMDKG-WZUFQYTHSA-N	-1	0	382.350	1.908	50	5		GDBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1O	ZINC000030840433	530601107	/nfs/dbraw/zinc/60/11/07/530601107.db2.gz	WDVLEOJQXOYKOG-IHWYPQMZSA-N	-1	0	384.142	1.619	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)OC2CCCCC2)c([N+](=O)[O-])c1	ZINC000006682074	204191824	/nfs/dbraw/zinc/19/18/24/204191824.db2.gz	UEJZJMVUIVWINS-DEOSSOPVSA-N	-1	0	389.451	1.982	50	5		GDBARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009130080	530550642	/nfs/dbraw/zinc/55/06/42/530550642.db2.gz	JCDKSHHNFYVXKC-UHFFFAOYSA-N	-1	0	391.814	1.696	50	5		GDBARM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000018994594	530567562	/nfs/dbraw/zinc/56/75/62/530567562.db2.gz	HKHYNSJTJUWLSU-UHFFFAOYSA-N	-1	0	375.359	1.182	50	5		GDBARM
CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)NC1=S	ZINC000004623727	204058057	/nfs/dbraw/zinc/05/80/57/204058057.db2.gz	LUILEKXJTXCSRN-MLGOLLRUSA-N	-1	0	376.394	1.056	50	5		GDBARM
COc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000006881970	204220037	/nfs/dbraw/zinc/22/00/37/204220037.db2.gz	TWYJVPGYEYXDFB-UHFFFAOYSA-N	-1	0	387.348	1.348	50	5		GDBARM
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000009613312	204318070	/nfs/dbraw/zinc/31/80/70/204318070.db2.gz	JOJGIMIQVDMTMU-UHFFFAOYSA-N	-1	0	395.393	1.571	50	5		GDBARM
Cc1ccc(S(=O)(=O)[N-]c2c(C(N)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000080341334	205383311	/nfs/dbraw/zinc/38/33/11/205383311.db2.gz	NREXZARTMMCBNB-UHFFFAOYSA-N	-1	0	380.338	1.711	50	5		GDBARM
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035867436	570466267	/nfs/dbraw/zinc/46/62/67/570466267.db2.gz	ABSIWQHUCURGSM-UHFFFAOYSA-N	-1	0	378.337	1.452	50	5		GDBARM
O=C1NC(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[n-]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000008860813	204291463	/nfs/dbraw/zinc/29/14/63/204291463.db2.gz	BLBHRXMEEQXVDI-GORDUTHDSA-N	-1	0	394.299	1.698	50	5		GDBARM
CCn1nc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c1C	ZINC000072295580	205320064	/nfs/dbraw/zinc/32/00/64/205320064.db2.gz	BXLLJYNYQPJBKV-UHFFFAOYSA-N	-1	0	383.430	1.633	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C=O)c2)C[C@H]1C(=O)[O-]	ZINC000169725295	534839348	/nfs/dbraw/zinc/83/93/48/534839348.db2.gz	HJIAULRRVXOIJG-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC	ZINC000102550467	570853905	/nfs/dbraw/zinc/85/39/05/570853905.db2.gz	RVJLFDUNQAHSQX-NVXWUHKLSA-N	-1	0	397.343	1.905	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1	ZINC000006682071	204192356	/nfs/dbraw/zinc/19/23/56/204192356.db2.gz	HOPVGZYLIFZCOP-VWLOTQADSA-N	-1	0	397.430	1.849	50	5		GDBARM
O=C([O-])c1ccc(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000001124654	570754529	/nfs/dbraw/zinc/75/45/29/570754529.db2.gz	JFAXKIHFSWPYED-UHFFFAOYSA-N	-1	0	383.316	1.205	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725244	534838384	/nfs/dbraw/zinc/83/83/84/534838384.db2.gz	ANZHEVOGEZABKQ-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
CN(c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)S(C)(=O)=O	ZINC000013153134	530558092	/nfs/dbraw/zinc/55/80/92/530558092.db2.gz	ACTQJUVLWPHEMS-UHFFFAOYSA-N	-1	0	385.423	1.791	50	5		GDBARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000245257238	203812477	/nfs/dbraw/zinc/81/24/77/203812477.db2.gz	XKMNRBHVUONMEI-MZSNUMIJSA-N	-1	0	399.363	1.243	50	5		GDBARM
CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000003387935	204002962	/nfs/dbraw/zinc/00/29/62/204002962.db2.gz	ZGGOHCMAFRCALM-UHFFFAOYSA-N	-1	0	385.423	1.646	50	5		GDBARM
COCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017321721	204612763	/nfs/dbraw/zinc/61/27/63/204612763.db2.gz	HHHHLYTYGMQGLQ-UHFFFAOYSA-N	-1	0	379.394	1.772	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100033268	205604077	/nfs/dbraw/zinc/60/40/77/205604077.db2.gz	IYSOSMSCXDZUFN-HOTGVXAUSA-N	-1	0	394.347	1.527	50	5		GDBARM
O=C(Nc1nc[nH]n1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000033854447	570420456	/nfs/dbraw/zinc/42/04/56/570420456.db2.gz	SECDMUXPBBFQEJ-UHFFFAOYSA-N	-1	0	388.365	1.766	50	5		GDBARM
NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000003995701	530535160	/nfs/dbraw/zinc/53/51/60/530535160.db2.gz	NZICCMXJKTVHQS-UHFFFAOYSA-N	-1	0	391.814	1.696	50	5		GDBARM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000009119872	530550294	/nfs/dbraw/zinc/55/02/94/530550294.db2.gz	FVJKMYUTAXXHJT-UHFFFAOYSA-N	-1	0	385.423	1.612	50	5		GDBARM
CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C	ZINC000585138294	599234888	/nfs/dbraw/zinc/23/48/88/599234888.db2.gz	CHSICSJBHWWICV-UHFFFAOYSA-N	-1	0	392.401	1.409	50	5		GDBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O	ZINC000040155199	207355427	/nfs/dbraw/zinc/35/54/27/207355427.db2.gz	GERBZLGVNPPGTO-UHFFFAOYSA-N	-1	0	387.395	1.052	50	5		GDBARM
Cc1cc(C)n(-c2nnc(C)n2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000001315761	570957332	/nfs/dbraw/zinc/95/73/32/570957332.db2.gz	YPMYTQNIGVCSRL-UHFFFAOYSA-N	-1	0	377.386	1.230	50	5		GDBARM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000002058270	206397400	/nfs/dbraw/zinc/39/74/00/206397400.db2.gz	BJUYPDZOTZNXHX-UHFFFAOYSA-N	-1	0	394.361	1.969	50	5		GDBARM
CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c2=O	ZINC000015936860	207067484	/nfs/dbraw/zinc/06/74/84/207067484.db2.gz	VTPKLXWUWLEORM-UHFFFAOYSA-N	-1	0	392.397	1.800	50	5		GDBARM
Cc1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cccc1C(=O)[O-]	ZINC000004695769	570841455	/nfs/dbraw/zinc/84/14/55/570841455.db2.gz	NLARURLQXRPOBO-UHFFFAOYSA-N	-1	0	383.316	1.836	50	5		GDBARM
O=C1Cc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3NCCO)ccc2N1	ZINC000022990062	207266746	/nfs/dbraw/zinc/26/67/46/207266746.db2.gz	XCDKNVGJIWCPIB-UHFFFAOYSA-N	-1	0	392.393	1.294	50	5		GDBARM
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895515	207416471	/nfs/dbraw/zinc/41/64/71/207416471.db2.gz	MJXQZXNJDSYYQR-UHFFFAOYSA-N	-1	0	382.398	1.907	50	5		GDBARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]c(C(N)=O)c2c1	ZINC000095459971	208185764	/nfs/dbraw/zinc/18/57/64/208185764.db2.gz	YHJHTPGMMNTYIF-UHFFFAOYSA-N	-1	0	391.365	1.379	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)Nc1ccccc1[N+](=O)[O-]	ZINC000100033274	208368960	/nfs/dbraw/zinc/36/89/60/208368960.db2.gz	IYSOSMSCXDZUFN-HZPDHXFCSA-N	-1	0	394.347	1.527	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1	ZINC000000952013	206336962	/nfs/dbraw/zinc/33/69/62/206336962.db2.gz	HOPVGZYLIFZCOP-RUZDIDTESA-N	-1	0	397.430	1.849	50	5		GDBARM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[nH]n3)cc2)c([N+](=O)[O-])c1	ZINC000078714653	208064874	/nfs/dbraw/zinc/06/48/74/208064874.db2.gz	SNTDIMCZRGMZBI-UHFFFAOYSA-N	-1	0	390.381	1.508	50	5		GDBARM
CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764501	208399013	/nfs/dbraw/zinc/39/90/13/208399013.db2.gz	DFRBNOQCIMORSF-GFCCVEGCSA-N	-1	0	389.393	1.754	50	5		GDBARM
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])cc1	ZINC000084771013	571036571	/nfs/dbraw/zinc/03/65/71/571036571.db2.gz	YPYWQALNXNTLCH-UHFFFAOYSA-N	-1	0	381.414	1.611	50	5		GDBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000001122015	206354461	/nfs/dbraw/zinc/35/44/61/206354461.db2.gz	NGLXYSSAAZZRIX-UHFFFAOYSA-N	-1	0	391.405	1.868	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C=O)C[C@H]1C(=O)[O-]	ZINC000095080812	534839117	/nfs/dbraw/zinc/83/91/17/534839117.db2.gz	GWAMDXGHCZZCPM-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1	ZINC000026539528	207316930	/nfs/dbraw/zinc/31/69/30/207316930.db2.gz	YKJCQYCAOFPKNO-UHFFFAOYSA-N	-1	0	375.366	1.985	50	5		GDBARM
O=C1NC(=O)c2cc(-c3ccc(C=Cc4[nH]c(=O)[n-]c(=O)c4[N+](=O)[O-])o3)ccc21	ZINC000033919407	570506927	/nfs/dbraw/zinc/50/69/27/570506927.db2.gz	BLBHRXMEEQXVDI-DJWKRKHSSA-N	-1	0	394.299	1.698	50	5		GDBARM
CON(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000032899687	570895217	/nfs/dbraw/zinc/89/52/17/570895217.db2.gz	FZJPHVDGFOFIHE-UHFFFAOYSA-N	-1	0	379.394	1.958	50	5		GDBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2I)[nH]1	ZINC000012351826	530556156	/nfs/dbraw/zinc/55/61/56/530556156.db2.gz	CFQLRLBQQIJYRD-AATRIKPKSA-N	-1	0	385.117	1.746	50	5		GDBARM
CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O	ZINC000101461378	208393636	/nfs/dbraw/zinc/39/36/36/208393636.db2.gz	RMLNYKUAIHGDBI-SECBINFHSA-N	-1	0	375.790	1.062	50	5		GDBARM
COCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435586	570767728	/nfs/dbraw/zinc/76/77/28/570767728.db2.gz	SHKXQTCLPZXPBA-OAHLLOKOSA-N	-1	0	393.783	1.597	50	5		GDBARM
CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000034924585	570810046	/nfs/dbraw/zinc/81/00/46/570810046.db2.gz	UYRCRPXKGACVJM-CYBMUJFWSA-N	-1	0	375.341	1.753	50	5		GDBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O	ZINC000016249216	207075017	/nfs/dbraw/zinc/07/50/17/207075017.db2.gz	DGLOYFHQEHCZAD-UHFFFAOYSA-N	-1	0	396.406	1.782	50	5		GDBARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1[O-]	ZINC000035961627	570488349	/nfs/dbraw/zinc/48/83/49/570488349.db2.gz	UVGACNYOLGHBLQ-CYBMUJFWSA-N	-1	0	397.409	1.843	50	5		GDBARM
O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1cccc([N+](=O)[O-])c1	ZINC000103560827	570886513	/nfs/dbraw/zinc/88/65/13/570886513.db2.gz	VWWLKROYCVMWQW-UKRRQHHQSA-N	-1	0	382.288	1.796	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2cc([N+](=O)[O-])ccc2C=O)C[C@H]1C(=O)[O-]	ZINC000095080813	534838362	/nfs/dbraw/zinc/83/83/62/534838362.db2.gz	ZCPVDVCLFCENLG-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036180231	570562584	/nfs/dbraw/zinc/56/25/84/570562584.db2.gz	IPISNRKXMMSHHF-IZZDOVSWSA-N	-1	0	382.350	1.908	50	5		GDBARM
O=c1[nH]c(C=Cc2ccc(I)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009234824	530550704	/nfs/dbraw/zinc/55/07/04/530550704.db2.gz	OPSNZEHPCAVXJI-DUXPYHPUSA-N	-1	0	375.078	1.752	50	5		GDBARM
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000024222816	530576625	/nfs/dbraw/zinc/57/66/25/530576625.db2.gz	XXDSKGDEXUVMJA-UHFFFAOYSA-N	-1	0	385.423	1.646	50	5		GDBARM
Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1C(=O)[O-]	ZINC000023144669	207270222	/nfs/dbraw/zinc/27/02/22/207270222.db2.gz	RQILDHMHBJXAKG-UHFFFAOYSA-N	-1	0	395.393	1.806	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)Nc1ccccc1	ZINC000100961253	208386150	/nfs/dbraw/zinc/38/61/50/208386150.db2.gz	LENHWVPSCFLGTD-JKSUJKDBSA-N	-1	0	394.347	1.527	50	5		GDBARM
O=[N+]([O-])c1ccc(SC(=S)[N-][C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000003149079	530533664	/nfs/dbraw/zinc/53/36/64/530533664.db2.gz	CNPDKCXMKZVVPE-SSDOTTSWSA-N	-1	0	377.425	1.657	50	5		GDBARM
CS(=O)(=O)c1ccc(S([O-])=CC(=O)Oc2ccccc2)c([N+](=O)[O-])c1	ZINC000004978259	530537994	/nfs/dbraw/zinc/53/79/94/530537994.db2.gz	HPTPNDZUQKXJFF-DEOSSOPVSA-N	-1	0	383.403	1.712	50	5		GDBARM
C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004474149	206523106	/nfs/dbraw/zinc/52/31/06/206523106.db2.gz	LFZOSZWLDFCHHV-PILJQMSFSA-N	-1	0	383.360	1.955	50	5		GDBARM
NS(=O)(=O)c1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000022589837	207256603	/nfs/dbraw/zinc/25/66/03/207256603.db2.gz	ABNCQGURPDBDSJ-UHFFFAOYSA-N	-1	0	380.298	1.430	50	5		GDBARM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000005027814	570398369	/nfs/dbraw/zinc/39/83/69/570398369.db2.gz	AMEYKPSPTKBUBK-UHFFFAOYSA-N	-1	0	391.405	1.868	50	5		GDBARM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1n[nH]nc1[N-]S(=O)(=O)c1ccccc1	ZINC000008694928	209133839	/nfs/dbraw/zinc/13/38/39/209133839.db2.gz	JKEBYFYKPPLMKP-UHFFFAOYSA-N	-1	0	388.365	1.766	50	5		GDBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)cc1	ZINC000009569127	206334164	/nfs/dbraw/zinc/33/41/64/206334164.db2.gz	SJDLUIAVEIPXDA-UHFFFAOYSA-N	-1	0	397.434	1.936	50	5		GDBARM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006267587	570352306	/nfs/dbraw/zinc/35/23/06/570352306.db2.gz	DAEJDIYZRHVUTD-UHFFFAOYSA-N	-1	0	379.394	1.772	50	5		GDBARM
Cc1nc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]c(=O)c1C	ZINC000018191238	210216530	/nfs/dbraw/zinc/21/65/30/210216530.db2.gz	PMGNFDHACYFTOL-UHFFFAOYSA-N	-1	0	378.366	1.724	50	5		GDBARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101101418	534564323	/nfs/dbraw/zinc/56/43/23/534564323.db2.gz	CEKOSPYTGYZEGO-GJZGRUSLSA-N	-1	0	394.343	1.155	50	5		GDBARM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004756990	570963422	/nfs/dbraw/zinc/96/34/22/570963422.db2.gz	BDRPVIHPYGHMIC-UHFFFAOYSA-N	-1	0	379.394	1.772	50	5		GDBARM
O=[N+]([O-])c1ccc(SC(=S)[N-][C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000013303033	210057302	/nfs/dbraw/zinc/05/73/02/210057302.db2.gz	CNPDKCXMKZVVPE-ZETCQYMHSA-N	-1	0	377.425	1.657	50	5		GDBARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1	ZINC000022990065	570744353	/nfs/dbraw/zinc/74/43/53/570744353.db2.gz	RXYABTVPYHWJDL-UHFFFAOYSA-N	-1	0	395.393	1.586	50	5		GDBARM
O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1[N+](=O)[O-]	ZINC000010251196	209322168	/nfs/dbraw/zinc/32/21/68/209322168.db2.gz	ZVFNCAGYJYVVCU-UHFFFAOYSA-N	-1	0	376.332	1.874	50	5		GDBARM
O=C([O-])CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1	ZINC000034926591	210674486	/nfs/dbraw/zinc/67/44/86/210674486.db2.gz	WGYCTOFNNAGTPB-UHFFFAOYSA-N	-1	0	398.419	1.835	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)Nc1ccccc1	ZINC000013959519	210097724	/nfs/dbraw/zinc/09/77/24/210097724.db2.gz	LENHWVPSCFLGTD-HOTGVXAUSA-N	-1	0	394.347	1.527	50	5		GDBARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000005201047	570504720	/nfs/dbraw/zinc/50/47/20/570504720.db2.gz	VQOGSKNTGAIALL-UHFFFAOYSA-N	-1	0	383.316	1.918	50	5		GDBARM
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)c([N+](=O)[O-])c1	ZINC000028246438	530591499	/nfs/dbraw/zinc/59/14/99/530591499.db2.gz	MOCVDOIYLOOVBB-UHFFFAOYSA-N	-1	0	385.423	1.646	50	5		GDBARM
CC(C[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100034269	211382753	/nfs/dbraw/zinc/38/27/53/211382753.db2.gz	LOPDYRBBSXWADO-UHFFFAOYSA-N	-1	0	394.640	1.746	50	5		GDBARM
CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)c([N+](=O)[O-])n1	ZINC000083843362	570967830	/nfs/dbraw/zinc/96/78/30/570967830.db2.gz	BRKMOOZTEDBKFN-UHFFFAOYSA-N	-1	0	393.425	1.848	50	5		GDBARM
CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000032833514	530609535	/nfs/dbraw/zinc/60/95/35/530609535.db2.gz	UALPIJHXIKMCLJ-UHFFFAOYSA-N	-1	0	387.395	1.473	50	5		GDBARM
O=C([O-])c1ccccc1NC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000002304624	209356236	/nfs/dbraw/zinc/35/62/36/209356236.db2.gz	CEAJZZGXKUABQC-UHFFFAOYSA-N	-1	0	383.316	1.918	50	5		GDBARM
CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cn1	ZINC000820108996	599305508	/nfs/dbraw/zinc/30/55/08/599305508.db2.gz	YIUHVWDNJFFRBM-UHFFFAOYSA-N	-1	0	392.401	1.428	50	5		GDBARM
NC(=O)c1ccc(NCCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c([N+](=O)[O-])c1	ZINC000015857309	210175130	/nfs/dbraw/zinc/17/51/30/210175130.db2.gz	NKDAOWJIBVYKDA-UHFFFAOYSA-N	-1	0	398.331	1.100	50	5		GDBARM
CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(C(=O)[O-])c1	ZINC000001508451	209330554	/nfs/dbraw/zinc/33/05/54/209330554.db2.gz	DNSAWIIFEVZBLY-UHFFFAOYSA-N	-1	0	383.316	1.900	50	5		GDBARM
COc1ccc(NC(=S)N[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016346447	210188677	/nfs/dbraw/zinc/18/86/77/210188677.db2.gz	WFGJOIYAORBGRT-UHFFFAOYSA-N	-1	0	382.423	1.783	50	5		GDBARM
O=C([O-])c1cc(O)ccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000002248690	209353062	/nfs/dbraw/zinc/35/30/62/209353062.db2.gz	HIIJIVRSLWLWQW-UHFFFAOYSA-N	-1	0	385.288	1.233	50	5		GDBARM
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000020058253	210315255	/nfs/dbraw/zinc/31/52/55/210315255.db2.gz	VJENMDSEFQBGFK-UHFFFAOYSA-N	-1	0	375.341	1.963	50	5		GDBARM
CCn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])n1	ZINC000083843364	570967715	/nfs/dbraw/zinc/96/77/15/570967715.db2.gz	QVUOYZHYSNYNBY-UHFFFAOYSA-N	-1	0	379.398	1.504	50	5		GDBARM
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000003888627	209456932	/nfs/dbraw/zinc/45/69/32/209456932.db2.gz	ZGUXCJWOOOTRNN-UHFFFAOYSA-N	-1	0	385.442	1.926	50	5		GDBARM
Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	ZINC000002497847	209368467	/nfs/dbraw/zinc/36/84/67/209368467.db2.gz	ACXQQMVSDFSNMC-UHFFFAOYSA-N	-1	0	380.386	1.788	50	5		GDBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1c([N+](=O)[O-])cnn1C)CCCC3	ZINC000002778901	209383872	/nfs/dbraw/zinc/38/38/72/209383872.db2.gz	NMACDJKTHIKCJD-UHFFFAOYSA-N	-1	0	388.409	1.671	50	5		GDBARM
O=C([O-])CCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000004891594	570357638	/nfs/dbraw/zinc/35/76/38/570357638.db2.gz	QKWWNXIYMCZUFU-KAMYIIQDSA-N	-1	0	387.348	1.940	50	5		GDBARM
COCCN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2C1=O	ZINC000035900085	570475602	/nfs/dbraw/zinc/47/56/02/570475602.db2.gz	SOMASSMIFTWTHC-UHFFFAOYSA-N	-1	0	385.332	1.795	50	5		GDBARM
COC(=O)COc1c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cccc1OC	ZINC000015009343	210142906	/nfs/dbraw/zinc/14/29/06/210142906.db2.gz	VALGBMAMOYDYGE-VOTSOKGWSA-N	-1	0	377.309	1.115	50	5		GDBARM
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H]1OC(=O)[O-]	ZINC000252624973	571038660	/nfs/dbraw/zinc/03/86/60/571038660.db2.gz	PZUUJSPKIMQDBK-CBBWQLFWSA-N	-1	0	399.308	1.257	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)Nc1ccccc1	ZINC000018162312	210214023	/nfs/dbraw/zinc/21/40/23/210214023.db2.gz	LENHWVPSCFLGTD-CVEARBPZSA-N	-1	0	394.347	1.527	50	5		GDBARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1=2)Nc1ccccc1	ZINC000100961256	211393490	/nfs/dbraw/zinc/39/34/90/211393490.db2.gz	LENHWVPSCFLGTD-HZPDHXFCSA-N	-1	0	394.347	1.527	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2cccc([N+](=O)[O-])c2C=O)C[C@H]1C(=O)[O-]	ZINC000169725216	534839096	/nfs/dbraw/zinc/83/90/96/534839096.db2.gz	RHLPIOMRFRTABE-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
O=c1nc2n(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000006445428	570424181	/nfs/dbraw/zinc/42/41/81/570424181.db2.gz	IICDUSHDTASIMA-UHFFFAOYSA-N	-1	0	379.288	1.995	50	5		GDBARM
C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003887230	530534968	/nfs/dbraw/zinc/53/49/68/530534968.db2.gz	WMZQULZISBOLFC-VIFPVBQESA-N	-1	0	376.412	1.181	50	5		GDBARM
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]23)cc1OC	ZINC000102550474	570854072	/nfs/dbraw/zinc/85/40/72/570854072.db2.gz	RVJLFDUNQAHSQX-DOTOQJQBSA-N	-1	0	397.343	1.905	50	5		GDBARM
CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000169725287	534839483	/nfs/dbraw/zinc/83/94/83/534839483.db2.gz	OKHHDOBVCIRKSX-AWEZNQCLSA-N	-1	0	379.369	1.918	50	5		GDBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000004836889	570306580	/nfs/dbraw/zinc/30/65/80/570306580.db2.gz	NANLUKQKINHVKR-SDNWHVSQSA-N	-1	0	387.348	1.940	50	5		GDBARM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000005345072	570557270	/nfs/dbraw/zinc/55/72/70/570557270.db2.gz	RJHBYJIILINUBV-UHFFFAOYSA-N	-1	0	394.361	1.969	50	5		GDBARM
CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003886334	570817432	/nfs/dbraw/zinc/81/74/32/570817432.db2.gz	FKLHANAHRWAYTA-AWEZNQCLSA-N	-1	0	387.414	1.137	50	5		GDBARM
C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003887231	530534992	/nfs/dbraw/zinc/53/49/92/530534992.db2.gz	WMZQULZISBOLFC-SECBINFHSA-N	-1	0	376.412	1.181	50	5		GDBARM
COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	ZINC000000843076	212188589	/nfs/dbraw/zinc/18/85/89/212188589.db2.gz	LNCKQUGIBBBBHG-UHFFFAOYSA-N	-1	0	396.377	1.892	50	5		GDBARM
O=C([O-])CCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	ZINC000004762958	220763088	/nfs/dbraw/zinc/76/30/88/220763088.db2.gz	QGLMPRVWXIXZDD-VBKFSLOCSA-N	-1	0	383.360	1.957	50	5		GDBARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000005163505	570468632	/nfs/dbraw/zinc/46/86/32/570468632.db2.gz	CEKOSPYTGYZEGO-CABCVRRESA-N	-1	0	394.343	1.155	50	5		GDBARM
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H]1OC(=O)[O-]	ZINC000169620230	570560542	/nfs/dbraw/zinc/56/05/42/570560542.db2.gz	PZUUJSPKIMQDBK-APIJFGDWSA-N	-1	0	399.308	1.257	50	5		GDBARM
C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004474148	570798602	/nfs/dbraw/zinc/79/86/02/570798602.db2.gz	LFZOSZWLDFCHHV-JASJWYONSA-N	-1	0	383.360	1.955	50	5		GDBARM
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)c1	ZINC000023144658	570916506	/nfs/dbraw/zinc/91/65/06/570916506.db2.gz	BEFSAFHGFCNNMT-UHFFFAOYSA-N	-1	0	381.366	1.498	50	5		GDBARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000245257239	212134808	/nfs/dbraw/zinc/13/48/08/212134808.db2.gz	XKMNRBHVUONMEI-RUSAUJBJSA-N	-1	0	399.363	1.243	50	5		GDBARM
COC(=O)COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000024957950	570376537	/nfs/dbraw/zinc/37/65/37/570376537.db2.gz	OWHMCUXICLRQGP-UHFFFAOYSA-N	-1	0	396.377	1.956	50	5		GDBARM
COCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000004435589	570767808	/nfs/dbraw/zinc/76/78/08/570767808.db2.gz	SHKXQTCLPZXPBA-HNNXBMFYSA-N	-1	0	393.783	1.597	50	5		GDBARM
O=C(Cn1c2ccccc2nc1S(=O)(=O)[O-])Nc1ccccc1[N+](=O)[O-]	ZINC000008973576	221067023	/nfs/dbraw/zinc/06/70/23/221067023.db2.gz	WAPINYHGVGNVQY-UHFFFAOYSA-N	-1	0	376.350	1.830	50	5		GDBARM
CN(c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O	ZINC000002843302	530532690	/nfs/dbraw/zinc/53/26/90/530532690.db2.gz	ONDPCZOMBALZAF-UHFFFAOYSA-N	-1	0	385.423	1.791	50	5		GDBARM
CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc32)cc1	ZINC000008444444	221041822	/nfs/dbraw/zinc/04/18/22/221041822.db2.gz	IXDLOPZMHOMLAB-UHFFFAOYSA-N	-1	0	377.338	1.699	50	5		GDBARM
CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1C	ZINC000072306286	222221914	/nfs/dbraw/zinc/22/19/14/222221914.db2.gz	PSAIKGSREFZSBQ-UHFFFAOYSA-N	-1	0	383.382	1.919	50	5		GDBARM
COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2[O-])C1=O	ZINC000013881352	221293716	/nfs/dbraw/zinc/29/37/16/221293716.db2.gz	CYAHVFSEMMNTQR-SYFUPATCSA-N	-1	0	382.350	1.907	50	5		GDBARM
CCOc1cc(C2C(C(=O)OC)=CN(C)C=C2C(=O)OC)cc([N+](=O)[O-])c1[O-]	ZINC000035867432	570466118	/nfs/dbraw/zinc/46/61/18/570466118.db2.gz	JBQLHINMCCNVRO-UHFFFAOYSA-N	-1	0	392.364	1.842	50	5		GDBARM
O=C(c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)N1CCOCC1	ZINC000005065526	570409364	/nfs/dbraw/zinc/40/93/64/570409364.db2.gz	VNSBHVVMFXNSGC-UHFFFAOYSA-N	-1	0	391.405	1.868	50	5		GDBARM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)OC	ZINC000009235282	221074541	/nfs/dbraw/zinc/07/45/41/221074541.db2.gz	HFVIOVVULNRPEY-GQCTYLIASA-N	-1	0	391.336	1.092	50	5		GDBARM
O=C(CN1C(=O)N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1	ZINC000100253475	570343655	/nfs/dbraw/zinc/34/36/55/570343655.db2.gz	FHGQHWFKHPMKAO-MDWZMJQESA-N	-1	0	382.332	1.832	50	5		GDBARM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002873083	530533135	/nfs/dbraw/zinc/53/31/35/530533135.db2.gz	AIMNCWLMUHMRPA-UHFFFAOYSA-N	-1	0	385.423	1.694	50	5		GDBARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3N=NN1c1ccc([N+](=O)[O-])cc1	ZINC000245257237	212134961	/nfs/dbraw/zinc/13/49/61/212134961.db2.gz	XKMNRBHVUONMEI-IJKVQABSSA-N	-1	0	399.363	1.243	50	5		GDBARM
CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000026548646	570341980	/nfs/dbraw/zinc/34/19/80/570341980.db2.gz	DXILQWJPXFMKES-UHFFFAOYSA-N	-1	0	379.394	1.911	50	5		GDBARM
CC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101764494	570833350	/nfs/dbraw/zinc/83/33/50/570833350.db2.gz	DFRBNOQCIMORSF-LBPRGKRZSA-N	-1	0	389.393	1.754	50	5		GDBARM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	ZINC000002058212	212263591	/nfs/dbraw/zinc/26/35/91/212263591.db2.gz	ILROLEFSIJBQNU-UHFFFAOYSA-N	-1	0	394.361	1.969	50	5		GDBARM
O=C([O-])c1cc([N+](=O)[O-])c(Br)c(S(=O)(=O)N2CCOCC2)c1	ZINC000004770015	530537683	/nfs/dbraw/zinc/53/76/83/530537683.db2.gz	FGOZMBHGIQGSEL-UHFFFAOYSA-N	-1	0	395.187	1.076	50	5		GDBARM
Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009492627	221082788	/nfs/dbraw/zinc/08/27/88/221082788.db2.gz	SBGRAJYCRZRKEG-UHFFFAOYSA-N	-1	0	399.450	1.954	50	5		GDBARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000101101416	534563536	/nfs/dbraw/zinc/56/35/36/534563536.db2.gz	CEKOSPYTGYZEGO-LSDHHAIUSA-N	-1	0	394.343	1.155	50	5		GDBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1	ZINC000009569123	212195625	/nfs/dbraw/zinc/19/56/25/212195625.db2.gz	KYUJCSFWEPSWER-UHFFFAOYSA-N	-1	0	397.434	1.936	50	5		GDBARM
COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O	ZINC000009490986	221082698	/nfs/dbraw/zinc/08/26/98/221082698.db2.gz	VSEZWMCNECLEER-UHFFFAOYSA-N	-1	0	387.395	1.052	50	5		GDBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1OC(C)=O	ZINC000012379972	221186416	/nfs/dbraw/zinc/18/64/16/221186416.db2.gz	CZYAFEVUNRCEGU-SNAWJCMRSA-N	-1	0	377.309	1.084	50	5		GDBARM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1[O-]	ZINC000016225707	221359492	/nfs/dbraw/zinc/35/94/92/221359492.db2.gz	KYJPZAQFPHSQOU-VZUCSPMQSA-N	-1	0	382.350	1.908	50	5		GDBARM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1-n1cncn1	ZINC000089575522	570493990	/nfs/dbraw/zinc/49/39/90/570493990.db2.gz	JYDUJULYCXRHSL-UHFFFAOYSA-N	-1	0	376.354	1.385	50	5		GDBARM