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-])c1cnn(CC[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1	ZINC000152831492	531573818	/nfs/dbraw/zinc/57/38/18/531573818.db2.gz	IPCOCBWOOSIMNQ-UHFFFAOYSA-N	-1	1	398.750	2.442	20	5		GEBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(NS(C)(=O)=O)c1	ZINC000030530429	531639272	/nfs/dbraw/zinc/63/92/72/531639272.db2.gz	YWBMIKGVGSFONN-UHFFFAOYSA-N	-1	1	385.423	2.076	20	5		GEBDMM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-]	ZINC000032097049	531650554	/nfs/dbraw/zinc/65/05/54/531650554.db2.gz	SXNPNUUHVFBZNM-UHFFFAOYSA-N	-1	1	383.813	2.385	20	5		GEBDMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1	ZINC000056011462	531801221	/nfs/dbraw/zinc/80/12/21/531801221.db2.gz	GPOVOMWOBPCZDN-NSHDSACASA-N	-1	1	388.398	2.378	20	5		GEBDMM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000164717135	531869981	/nfs/dbraw/zinc/86/99/81/531869981.db2.gz	AKOKSGJKVMJRBR-UHFFFAOYSA-N	-1	1	392.173	2.128	20	5		GEBDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1	ZINC000173682590	532026025	/nfs/dbraw/zinc/02/60/25/532026025.db2.gz	JHJYFNHBPKHJPJ-CMPLNLGQSA-N	-1	1	381.435	2.129	20	5		GEBDMM
CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000128763505	532168090	/nfs/dbraw/zinc/16/80/90/532168090.db2.gz	PIZHMEOXSLSYRK-JTQLQIEISA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCOCC1	ZINC000133020114	532224961	/nfs/dbraw/zinc/22/49/61/532224961.db2.gz	YZOOWDDFWAMBAE-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000135110332	532267525	/nfs/dbraw/zinc/26/75/25/532267525.db2.gz	BQNTVZCAYWZWQW-RKDXNWHRSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO	ZINC000188918937	532350220	/nfs/dbraw/zinc/35/02/20/532350220.db2.gz	PLAQBAKKSNCTRZ-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295254784	532425716	/nfs/dbraw/zinc/42/57/16/532425716.db2.gz	ZMWKBSTTYVMEHZ-MUWHJKNJSA-N	-1	1	389.282	2.292	20	5		GEBDMM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295257932	532427933	/nfs/dbraw/zinc/42/79/33/532427933.db2.gz	KZZIPNYBCNNTBE-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295264671	532428122	/nfs/dbraw/zinc/42/81/22/532428122.db2.gz	LLOOLFHQDYQCDZ-UHFFFAOYSA-N	-1	1	381.248	2.044	20	5		GEBDMM
Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000295875911	532484337	/nfs/dbraw/zinc/48/43/37/532484337.db2.gz	FXQNSRJFZBNUHA-UHFFFAOYSA-N	-1	1	376.797	2.330	20	5		GEBDMM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000433885340	532582747	/nfs/dbraw/zinc/58/27/47/532582747.db2.gz	NDTDJYQELWBFTB-USEMIUTHSA-N	-1	1	376.818	2.424	20	5		GEBDMM
Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000599317298	532657480	/nfs/dbraw/zinc/65/74/80/532657480.db2.gz	SPXHVRYRVPOEOL-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285495353	532684152	/nfs/dbraw/zinc/68/41/52/532684152.db2.gz	DWWFCICWZOWHNU-VHSXEESVSA-N	-1	1	393.259	2.308	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC1(O)CCC1	ZINC000285736564	532702353	/nfs/dbraw/zinc/70/23/53/532702353.db2.gz	UUJFRYXYANSSBJ-UHFFFAOYSA-N	-1	1	397.222	2.080	20	5		GEBDMM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000265226080	532688503	/nfs/dbraw/zinc/68/85/03/532688503.db2.gz	ULZIQAOGNYFMKL-QWRGUYRKSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)c1nn[n-]n1	ZINC000286147612	532731446	/nfs/dbraw/zinc/73/14/46/532731446.db2.gz	RQAVZTIESHEOLZ-SSDOTTSWSA-N	-1	1	383.206	2.055	20	5		GEBDMM
O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1C1CCCCC1	ZINC000442770553	532734544	/nfs/dbraw/zinc/73/45/44/532734544.db2.gz	XXCJQGRJUYEMGH-GFCCVEGCSA-N	-1	1	387.483	2.258	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@]12CCCO2	ZINC000273595565	532827865	/nfs/dbraw/zinc/82/78/65/532827865.db2.gz	KOZCELNLUCDZNY-UMVBOHGHSA-N	-1	1	390.845	2.253	20	5		GEBDMM
Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000289709237	532864071	/nfs/dbraw/zinc/86/40/71/532864071.db2.gz	FCWXCZZYTWZZRM-LBPRGKRZSA-N	-1	1	388.808	2.477	20	5		GEBDMM
Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2	ZINC000368850301	532934885	/nfs/dbraw/zinc/93/48/85/532934885.db2.gz	JHTFRFHPDFIXHL-LBPRGKRZSA-N	-1	1	382.829	2.182	20	5		GEBDMM
Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2	ZINC000368850300	532934893	/nfs/dbraw/zinc/93/48/93/532934893.db2.gz	JHTFRFHPDFIXHL-GFCCVEGCSA-N	-1	1	382.829	2.182	20	5		GEBDMM
CC(=O)Nc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)C2	ZINC000819827010	607345723	/nfs/dbraw/zinc/34/57/23/607345723.db2.gz	OYJRYOUFQMMENJ-UHFFFAOYSA-N	-1	1	379.380	2.296	20	5		GEBDMM
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)c1	ZINC000826217014	607448475	/nfs/dbraw/zinc/44/84/75/607448475.db2.gz	WHJWEXJWRFMAEH-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
COc1cccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)c1	ZINC000826217014	607448476	/nfs/dbraw/zinc/44/84/76/607448476.db2.gz	WHJWEXJWRFMAEH-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000824108196	607451364	/nfs/dbraw/zinc/45/13/64/607451364.db2.gz	CKCNZTBETRCGRI-UHFFFAOYSA-N	-1	1	389.416	2.268	20	5		GEBDMM
CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000824108196	607451366	/nfs/dbraw/zinc/45/13/66/607451366.db2.gz	CKCNZTBETRCGRI-UHFFFAOYSA-N	-1	1	389.416	2.268	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000832468994	600690098	/nfs/dbraw/zinc/69/00/98/600690098.db2.gz	ZKLFRTGHXXKYNP-UHFFFAOYSA-N	-1	1	397.321	2.011	20	5		GEBDMM
COc1cc2c(cc1CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])O[C@H](C)C2	ZINC000821727696	607470075	/nfs/dbraw/zinc/47/00/75/607470075.db2.gz	MLTMULNCACXTFD-SECBINFHSA-N	-1	1	383.368	2.114	20	5		GEBDMM
COc1cc2c(cc1CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])O[C@H](C)C2	ZINC000821727696	607470076	/nfs/dbraw/zinc/47/00/76/607470076.db2.gz	MLTMULNCACXTFD-SECBINFHSA-N	-1	1	383.368	2.114	20	5		GEBDMM
Cc1ncc(Cl)c(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)n1	ZINC000826330487	607525243	/nfs/dbraw/zinc/52/52/43/607525243.db2.gz	WJHNZZBPRFLZJZ-UHFFFAOYSA-N	-1	1	395.166	2.432	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000739376343	602419328	/nfs/dbraw/zinc/41/93/28/602419328.db2.gz	NVAROFHKGGENNZ-WCQYABFASA-N	-1	1	379.417	2.265	20	5		GEBDMM
O=C([O-])N1CCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C1	ZINC000740530556	602490884	/nfs/dbraw/zinc/49/08/84/602490884.db2.gz	SAHDOBQKQWNVPG-UHFFFAOYSA-N	-1	1	377.378	2.432	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2)c1-c1nn[n-]n1	ZINC000826500278	607573019	/nfs/dbraw/zinc/57/30/19/607573019.db2.gz	RNXAFQQTVCYSIQ-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CSc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000826230848	607578274	/nfs/dbraw/zinc/57/82/74/607578274.db2.gz	LZRKGBKZXNHWFV-UHFFFAOYSA-N	-1	1	393.406	2.265	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCC2CCCCC2)c1-c1nn[n-]n1	ZINC000826500024	607588367	/nfs/dbraw/zinc/58/83/67/607588367.db2.gz	IOEIBZBQOMRKQU-UHFFFAOYSA-N	-1	1	394.457	2.414	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F	ZINC000826499746	607600027	/nfs/dbraw/zinc/60/00/27/607600027.db2.gz	VNURDGSBXFJJPE-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F	ZINC000826499746	607600028	/nfs/dbraw/zinc/60/00/28/607600028.db2.gz	VNURDGSBXFJJPE-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CCCC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825266692	607606501	/nfs/dbraw/zinc/60/65/01/607606501.db2.gz	GMLLUVKRZXHXLH-RYUDHWBXSA-N	-1	1	394.457	2.412	20	5		GEBDMM
C[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824803952	603109521	/nfs/dbraw/zinc/10/95/21/603109521.db2.gz	UKKHTVMRGIYRER-ZCFIWIBFSA-N	-1	1	386.213	2.226	20	5		GEBDMM
CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824216198	607608096	/nfs/dbraw/zinc/60/80/96/607608096.db2.gz	OVTLIQUYGUTWOH-VXGBXAGGSA-N	-1	1	394.457	2.268	20	5		GEBDMM
C[C@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824877580	607662459	/nfs/dbraw/zinc/66/24/59/607662459.db2.gz	YRZYQHGBZHLRKI-QWRGUYRKSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCC1	ZINC000825171477	607671816	/nfs/dbraw/zinc/67/18/16/607671816.db2.gz	QRVSYFSHJRNULG-UHFFFAOYSA-N	-1	1	380.430	2.024	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1[N+](=O)[O-]	ZINC000827097376	604894932	/nfs/dbraw/zinc/89/49/32/604894932.db2.gz	LQKXDKCRBIXVFT-UHFFFAOYSA-N	-1	1	382.323	2.447	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000826496977	607736856	/nfs/dbraw/zinc/73/68/56/607736856.db2.gz	PYACIXFBLHNXPI-JTQLQIEISA-N	-1	1	387.787	2.481	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](Oc2ccccc2Cl)C1	ZINC000826496977	607736857	/nfs/dbraw/zinc/73/68/57/607736857.db2.gz	PYACIXFBLHNXPI-JTQLQIEISA-N	-1	1	387.787	2.481	20	5		GEBDMM
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833539974	605163362	/nfs/dbraw/zinc/16/33/62/605163362.db2.gz	QSOMOTLIRHVNKB-NEPJUHHUSA-N	-1	1	399.831	2.023	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21	ZINC000834187158	605323515	/nfs/dbraw/zinc/32/35/15/605323515.db2.gz	YLPQWIGASYMNGG-VNQPRFMTSA-N	-1	1	386.412	2.179	20	5		GEBDMM
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833790547	605445504	/nfs/dbraw/zinc/44/55/04/605445504.db2.gz	PHYZAFWQCFLVEK-XJFOESAGSA-N	-1	1	376.413	2.290	20	5		GEBDMM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833791192	605450056	/nfs/dbraw/zinc/45/00/56/605450056.db2.gz	SVZWURGYVOWMRZ-KNPMLCFXSA-N	-1	1	376.413	2.290	20	5		GEBDMM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC)c1	ZINC000833732593	605720065	/nfs/dbraw/zinc/72/00/65/605720065.db2.gz	VBEMSBJGVDDYSW-OAHLLOKOSA-N	-1	1	390.348	2.263	20	5		GEBDMM
O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000823294687	606195468	/nfs/dbraw/zinc/19/54/68/606195468.db2.gz	NAKSJTCRMKSEPH-UHFFFAOYSA-N	-1	1	381.352	2.307	20	5		GEBDMM
COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1[N+](=O)[O-]	ZINC000821782874	606392160	/nfs/dbraw/zinc/39/21/60/606392160.db2.gz	QNOUVQLGQCOSJX-JXMROGBWSA-N	-1	1	398.360	2.190	20	5		GEBDMM
Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)cc1[N+](=O)[O-]	ZINC000822206242	606444074	/nfs/dbraw/zinc/44/40/74/606444074.db2.gz	ZMIOTHLEHUBQLX-UHFFFAOYSA-N	-1	1	391.823	2.111	20	5		GEBDMM
Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)cc1[N+](=O)[O-]	ZINC000822206242	606444076	/nfs/dbraw/zinc/44/40/76/606444076.db2.gz	ZMIOTHLEHUBQLX-UHFFFAOYSA-N	-1	1	391.823	2.111	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(Cn2cccn2)c1	ZINC000823625159	606702206	/nfs/dbraw/zinc/70/22/06/606702206.db2.gz	RKPXYCSURURYEI-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(Cn2cccn2)c1	ZINC000823625159	606702208	/nfs/dbraw/zinc/70/22/08/606702208.db2.gz	RKPXYCSURURYEI-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
C[C@H](CCc1ccc2c(c1)OCO2)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820254635	606702815	/nfs/dbraw/zinc/70/28/15/606702815.db2.gz	SLGOSYZVUPFUHX-SNVBAGLBSA-N	-1	1	383.368	2.332	20	5		GEBDMM
C[C@H](CCc1ccc2c(c1)OCO2)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820254635	606702817	/nfs/dbraw/zinc/70/28/17/606702817.db2.gz	SLGOSYZVUPFUHX-SNVBAGLBSA-N	-1	1	383.368	2.332	20	5		GEBDMM
C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000820777032	606711933	/nfs/dbraw/zinc/71/19/33/606711933.db2.gz	OYJBHZLDKMUSAN-HZMBPMFUSA-N	-1	1	385.359	2.275	20	5		GEBDMM
C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000820777032	606711934	/nfs/dbraw/zinc/71/19/34/606711934.db2.gz	OYJBHZLDKMUSAN-HZMBPMFUSA-N	-1	1	385.359	2.275	20	5		GEBDMM
CN(C)c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc2n1	ZINC000821588378	606713542	/nfs/dbraw/zinc/71/35/42/606713542.db2.gz	PGDMCUAXQBAQSP-UHFFFAOYSA-N	-1	1	391.395	2.396	20	5		GEBDMM
CN(C)c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc2n1	ZINC000821588378	606713544	/nfs/dbraw/zinc/71/35/44/606713544.db2.gz	PGDMCUAXQBAQSP-UHFFFAOYSA-N	-1	1	391.395	2.396	20	5		GEBDMM
CC[C@](C)(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1OCCO1	ZINC000820854699	606713654	/nfs/dbraw/zinc/71/36/54/606713654.db2.gz	XTKDKRPCMITBGR-MRXNPFEDSA-N	-1	1	377.405	2.151	20	5		GEBDMM
CC[C@](C)(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1OCCO1	ZINC000820854699	606713656	/nfs/dbraw/zinc/71/36/56/606713656.db2.gz	XTKDKRPCMITBGR-MRXNPFEDSA-N	-1	1	377.405	2.151	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(OCCCc2ccccc2)C1	ZINC000823613395	606715433	/nfs/dbraw/zinc/71/54/33/606715433.db2.gz	IHRHGQSKSRNGJO-UHFFFAOYSA-N	-1	1	381.396	2.008	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(OCCCc2ccccc2)C1	ZINC000823613395	606715434	/nfs/dbraw/zinc/71/54/34/606715434.db2.gz	IHRHGQSKSRNGJO-UHFFFAOYSA-N	-1	1	381.396	2.008	20	5		GEBDMM
CN(C1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821592374	606731325	/nfs/dbraw/zinc/73/13/25/606731325.db2.gz	CRJHTMWAJQYPMF-UHFFFAOYSA-N	-1	1	380.430	2.118	20	5		GEBDMM
CCC[C@@]1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000821028031	606736009	/nfs/dbraw/zinc/73/60/09/606736009.db2.gz	RWSFBWWEPXASEI-INIZCTEOSA-N	-1	1	394.457	2.366	20	5		GEBDMM
CN(C1CCC(C)(C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821592708	606736867	/nfs/dbraw/zinc/73/68/67/606736867.db2.gz	QTUGBEDSBRBEQL-UHFFFAOYSA-N	-1	1	394.457	2.364	20	5		GEBDMM
COc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1SC	ZINC000821727281	607104748	/nfs/dbraw/zinc/10/47/48/607104748.db2.gz	GTEAMNGOVAZRPN-UHFFFAOYSA-N	-1	1	393.410	2.214	20	5		GEBDMM
COc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1SC	ZINC000821727281	607104749	/nfs/dbraw/zinc/10/47/49/607104749.db2.gz	GTEAMNGOVAZRPN-UHFFFAOYSA-N	-1	1	393.410	2.214	20	5		GEBDMM
Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C)c1	ZINC000822241361	607155923	/nfs/dbraw/zinc/15/59/23/607155923.db2.gz	SVGZBNZVASYJHT-UHFFFAOYSA-N	-1	1	388.409	2.217	20	5		GEBDMM
Cc1cccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1C	ZINC000822309134	607161680	/nfs/dbraw/zinc/16/16/80/607161680.db2.gz	MTKCLMQXVYRFTI-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
Cc1cccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1C	ZINC000822309134	607161681	/nfs/dbraw/zinc/16/16/81/607161681.db2.gz	MTKCLMQXVYRFTI-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1n[nH]c(Cc2cccs2)n1	ZINC000823629858	607166885	/nfs/dbraw/zinc/16/68/85/607166885.db2.gz	JYOZRBVDARADDX-UHFFFAOYSA-N	-1	1	387.410	2.092	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1n[nH]c(Cc2cccs2)n1	ZINC000823629858	607166887	/nfs/dbraw/zinc/16/68/87/607166887.db2.gz	JYOZRBVDARADDX-UHFFFAOYSA-N	-1	1	387.410	2.092	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C	ZINC000826272398	607867827	/nfs/dbraw/zinc/86/78/27/607867827.db2.gz	HGZDSOYNKLVZAW-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C	ZINC000826272398	607867828	/nfs/dbraw/zinc/86/78/28/607867828.db2.gz	HGZDSOYNKLVZAW-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
Cn1cc(-c2ccccc2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1	ZINC000826356233	607966526	/nfs/dbraw/zinc/96/65/26/607966526.db2.gz	HQWFOFKSTJHERA-UHFFFAOYSA-N	-1	1	377.368	2.183	20	5		GEBDMM
Cn1cc(-c2ccccc2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1	ZINC000826356233	607966527	/nfs/dbraw/zinc/96/65/27/607966527.db2.gz	HQWFOFKSTJHERA-UHFFFAOYSA-N	-1	1	377.368	2.183	20	5		GEBDMM
COc1ccccc1OC[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000826220638	608124182	/nfs/dbraw/zinc/12/41/82/608124182.db2.gz	UQJOCDKAPLRCFJ-NSHDSACASA-N	-1	1	385.384	2.306	20	5		GEBDMM
COc1ccccc1OC[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000826220638	608124183	/nfs/dbraw/zinc/12/41/83/608124183.db2.gz	UQJOCDKAPLRCFJ-NSHDSACASA-N	-1	1	385.384	2.306	20	5		GEBDMM
CN(Cc1nccn1Cc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000825999047	608425030	/nfs/dbraw/zinc/42/50/30/608425030.db2.gz	IZJBTCDFDIKRHX-UHFFFAOYSA-N	-1	1	391.395	2.051	20	5		GEBDMM
CN(Cc1nccn1Cc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000825999047	608425035	/nfs/dbraw/zinc/42/50/35/608425035.db2.gz	IZJBTCDFDIKRHX-UHFFFAOYSA-N	-1	1	391.395	2.051	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCSC1	ZINC000447937398	650011464	/nfs/dbraw/zinc/01/14/64/650011464.db2.gz	WQVKZCSDDSZHRN-QMMMGPOBSA-N	-1	1	381.273	2.389	20	5		GEBDMM
CCOC(=O)CSc1nnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1	ZINC000520228155	650614456	/nfs/dbraw/zinc/61/44/56/650614456.db2.gz	WMIBOTNCLWOYQI-UHFFFAOYSA-N	-1	1	386.386	2.493	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Br)cs1	ZINC000525186438	650651118	/nfs/dbraw/zinc/65/11/18/650651118.db2.gz	UJTKEBVRHFLBLY-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CCCCOCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040691831	642524351	/nfs/dbraw/zinc/52/43/51/642524351.db2.gz	UJLMQTLSDDKRQW-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)Cc1cccc(Br)c1	ZINC000490230474	650770305	/nfs/dbraw/zinc/77/03/05/650770305.db2.gz	LYILKQMBWQDOSH-UHFFFAOYSA-N	-1	1	396.197	2.093	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)s1	ZINC000098117725	643103396	/nfs/dbraw/zinc/10/33/96/643103396.db2.gz	AEZOCRUPKPFCKI-UHFFFAOYSA-N	-1	1	378.435	2.380	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1	ZINC000121720875	643638907	/nfs/dbraw/zinc/63/89/07/643638907.db2.gz	CTSHJUYRHZDUOE-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1Br	ZINC000130757325	643849838	/nfs/dbraw/zinc/84/98/38/643849838.db2.gz	JFXHFMYXBLLQBC-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3c(F)cccc3F)C2)s1	ZINC000156667083	644111106	/nfs/dbraw/zinc/11/11/06/644111106.db2.gz	XSIDQLQHMUXEFN-SECBINFHSA-N	-1	1	389.405	2.492	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc21	ZINC000162202000	644233368	/nfs/dbraw/zinc/23/33/68/644233368.db2.gz	RELNBSDLOURGOM-MRXNPFEDSA-N	-1	1	382.825	2.361	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C(F)(F)F)c1	ZINC000272572721	646278848	/nfs/dbraw/zinc/27/88/48/646278848.db2.gz	WZDCMZDUQYVUIZ-JTQLQIEISA-N	-1	1	376.740	2.148	20	5		GEBDMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000277862297	646479230	/nfs/dbraw/zinc/47/92/30/646479230.db2.gz	OEEGYYREHXPYHS-QMMMGPOBSA-N	-1	1	399.238	2.183	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nncn1C	ZINC000279318436	646590566	/nfs/dbraw/zinc/59/05/66/646590566.db2.gz	FSOLMSZLAWMVNJ-LURJTMIESA-N	-1	1	380.213	2.070	20	5		GEBDMM
CC(C)[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O	ZINC000289754108	647171746	/nfs/dbraw/zinc/17/17/46/647171746.db2.gz	GNCHAEUPAUJXRD-LBPRGKRZSA-N	-1	1	384.241	2.080	20	5		GEBDMM
CCn1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000416581130	648176628	/nfs/dbraw/zinc/17/66/28/648176628.db2.gz	JWTFPSLSDQXKPI-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443162208	648865436	/nfs/dbraw/zinc/86/54/36/648865436.db2.gz	YUIBKKWWQIDYKY-SNVBAGLBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(OCCO)cc1	ZINC000443189258	648866983	/nfs/dbraw/zinc/86/69/83/648866983.db2.gz	JGZBBMUYSDZOQS-UHFFFAOYSA-N	-1	1	386.813	2.098	20	5		GEBDMM
CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443302084	648870933	/nfs/dbraw/zinc/87/09/33/648870933.db2.gz	OHFRBMDUZZQOTF-TVQRCGJNSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000725828382	651480722	/nfs/dbraw/zinc/48/07/22/651480722.db2.gz	DFOZEKASGYJDQY-ZETCQYMHSA-N	-1	1	376.740	2.494	20	5		GEBDMM
CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000728590618	651548269	/nfs/dbraw/zinc/54/82/69/651548269.db2.gz	GECDHOFCZYYYNM-UHFFFAOYSA-N	-1	1	379.460	2.238	20	5		GEBDMM
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000730813614	651610328	/nfs/dbraw/zinc/61/03/28/651610328.db2.gz	DSTXXEGZYZHBCW-SNVBAGLBSA-N	-1	1	391.471	2.334	20	5		GEBDMM
CC(C)(C)OC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000734150497	651737090	/nfs/dbraw/zinc/73/70/90/651737090.db2.gz	FZBBBOPKMSFZIU-SNVBAGLBSA-N	-1	1	391.471	2.334	20	5		GEBDMM
CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000742299052	651976229	/nfs/dbraw/zinc/97/62/29/651976229.db2.gz	REKIQANQJZCUTN-UHFFFAOYSA-N	-1	1	391.833	2.146	20	5		GEBDMM
CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000751979748	652374879	/nfs/dbraw/zinc/37/48/79/652374879.db2.gz	BMUCXYVHWKLXGL-LLVKDONJSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000755012725	652454930	/nfs/dbraw/zinc/45/49/30/652454930.db2.gz	NCAIUWWLZGEYQL-UHFFFAOYSA-N	-1	1	399.180	2.209	20	5		GEBDMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757744767	652521555	/nfs/dbraw/zinc/52/15/55/652521555.db2.gz	LJULSUQZCPOTRL-QMMMGPOBSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@]12CCCO2	ZINC000759104581	652562881	/nfs/dbraw/zinc/56/28/81/652562881.db2.gz	NKQJKSDQDTYVRK-RRFJBIMHSA-N	-1	1	390.845	2.253	20	5		GEBDMM
Cc1cc(Br)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])s1	ZINC000759169042	652565526	/nfs/dbraw/zinc/56/55/26/652565526.db2.gz	WPYVUZIQPNZYBR-UHFFFAOYSA-N	-1	1	393.244	2.428	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCCC12OCCO2	ZINC000766840814	652899677	/nfs/dbraw/zinc/89/96/77/652899677.db2.gz	SIYOODVFCXPIOR-GFCCVEGCSA-N	-1	1	376.818	2.212	20	5		GEBDMM
NC(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(Cl)c1	ZINC000768851056	653132105	/nfs/dbraw/zinc/13/21/05/653132105.db2.gz	BUFHDPNZUOSINZ-LLVKDONJSA-N	-1	1	389.842	2.205	20	5		GEBDMM
COCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768852822	653132112	/nfs/dbraw/zinc/13/21/12/653132112.db2.gz	KHBPQNVBHMNOFV-UHFFFAOYSA-N	-1	1	386.451	2.468	20	5		GEBDMM
C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000768908634	653137349	/nfs/dbraw/zinc/13/73/49/653137349.db2.gz	FIOCJSOZDNOYHR-SECBINFHSA-N	-1	1	393.849	2.440	20	5		GEBDMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1	ZINC000769909407	653189823	/nfs/dbraw/zinc/18/98/23/653189823.db2.gz	UNKFMMSITMMDRF-LURJTMIESA-N	-1	1	391.203	2.088	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COC2(CCCC2)O1	ZINC000773352267	653195490	/nfs/dbraw/zinc/19/54/90/653195490.db2.gz	UXYJGDAERZTLJJ-NSHDSACASA-N	-1	1	376.818	2.212	20	5		GEBDMM
CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O	ZINC000809824901	653302963	/nfs/dbraw/zinc/30/29/63/653302963.db2.gz	WVGJWCVGFIMTPI-MRVPVSSYSA-N	-1	1	393.824	2.065	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)cc1Cl	ZINC000809829469	653304991	/nfs/dbraw/zinc/30/49/91/653304991.db2.gz	BLGYXDLTFOJXHZ-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809833230	653306616	/nfs/dbraw/zinc/30/66/16/653306616.db2.gz	QVNWSAZQOULTFG-CYBMUJFWSA-N	-1	1	380.825	2.463	20	5		GEBDMM
CC1CCC2(CC1)OC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)O2	ZINC000776878208	653380679	/nfs/dbraw/zinc/38/06/79/653380679.db2.gz	SMOIFSSPHBKABJ-IQLKVPPVSA-N	-1	1	376.456	2.256	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCCCCC3)O2)s1	ZINC000776882437	653380708	/nfs/dbraw/zinc/38/07/08/653380708.db2.gz	XALCFXVDAMZLSA-NSHDSACASA-N	-1	1	376.456	2.401	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1	ZINC000859251456	653429488	/nfs/dbraw/zinc/42/94/88/653429488.db2.gz	DBKUFHMYGQAMJG-JTQLQIEISA-N	-1	1	393.259	2.452	20	5		GEBDMM
CCOC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859320078	653441192	/nfs/dbraw/zinc/44/11/92/653441192.db2.gz	FAMKVGAQWUEZKU-SECBINFHSA-N	-1	1	392.792	2.318	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859340755	653444119	/nfs/dbraw/zinc/44/41/19/653444119.db2.gz	IGALZDRXVNCUSE-YDEXJTGXSA-N	-1	1	393.259	2.448	20	5		GEBDMM
COc1cc(COC(=O)c2sccc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-]	ZINC000778777527	653456672	/nfs/dbraw/zinc/45/66/72/653456672.db2.gz	CJIXCFMFXYBVDS-UHFFFAOYSA-N	-1	1	386.407	2.393	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000814980913	653641896	/nfs/dbraw/zinc/64/18/96/653641896.db2.gz	UUIPREICCGWINH-JTQLQIEISA-N	-1	1	396.824	2.251	20	5		GEBDMM
CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815033317	653646557	/nfs/dbraw/zinc/64/65/57/653646557.db2.gz	YKIMYEVZFZZUCP-HTQZYQBOSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815033318	653646597	/nfs/dbraw/zinc/64/65/97/653646597.db2.gz	YKIMYEVZFZZUCP-JGVFFNPUSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000815034318	653646610	/nfs/dbraw/zinc/64/66/10/653646610.db2.gz	KSPCGBQAJIKMDL-SNVBAGLBSA-N	-1	1	382.797	2.397	20	5		GEBDMM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815047203	653648003	/nfs/dbraw/zinc/64/80/03/653648003.db2.gz	BYVYCADLQOMQFL-VIFPVBQESA-N	-1	1	395.840	2.218	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000815048887	653648097	/nfs/dbraw/zinc/64/80/97/653648097.db2.gz	SCTOWGXQXODENC-UHFFFAOYSA-N	-1	1	396.824	2.109	20	5		GEBDMM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])O1	ZINC000841534092	653729075	/nfs/dbraw/zinc/72/90/75/653729075.db2.gz	JAXLHZJDFAIBGW-SFYZADRCSA-N	-1	1	397.222	2.342	20	5		GEBDMM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl	ZINC000788216592	653752433	/nfs/dbraw/zinc/75/24/33/653752433.db2.gz	KNPVPTMZINSENH-UHFFFAOYSA-N	-1	1	390.826	2.453	20	5		GEBDMM
Cc1ncsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	ZINC000790845955	653798959	/nfs/dbraw/zinc/79/89/59/653798959.db2.gz	MMDMOILMJYWPDV-UHFFFAOYSA-N	-1	1	386.411	2.363	20	5		GEBDMM
O=C([O-])C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000794767753	653920151	/nfs/dbraw/zinc/92/01/51/653920151.db2.gz	QCVRZFIAASTXNB-LURJTMIESA-N	-1	1	390.723	2.180	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000795895965	653975925	/nfs/dbraw/zinc/97/59/25/653975925.db2.gz	MTSYQCPLMGJJFZ-SNVBAGLBSA-N	-1	1	397.222	2.200	20	5		GEBDMM
COC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1	ZINC000795918015	653977271	/nfs/dbraw/zinc/97/72/71/653977271.db2.gz	KMZKXQYEOVJEDG-UHFFFAOYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000849468728	654043287	/nfs/dbraw/zinc/04/32/87/654043287.db2.gz	CRXPFXOWOZXYJD-VIFPVBQESA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1	ZINC000849469535	654043688	/nfs/dbraw/zinc/04/36/88/654043688.db2.gz	XFSYPLNSIBUCIG-UHFFFAOYSA-N	-1	1	378.809	2.217	20	5		GEBDMM
CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1	ZINC000828701672	654045985	/nfs/dbraw/zinc/04/59/85/654045985.db2.gz	PCXVBSBZWBVWNS-UHFFFAOYSA-N	-1	1	377.344	2.067	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)cc1Cl	ZINC000798227128	654055737	/nfs/dbraw/zinc/05/57/37/654055737.db2.gz	KBSNFAMSHGJROM-DZGCQCFKSA-N	-1	1	386.788	2.324	20	5		GEBDMM
C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[S@@](C)=O	ZINC000830898031	654149046	/nfs/dbraw/zinc/14/90/46/654149046.db2.gz	UMHRNQPVAKSOAS-WODJRTHDSA-N	-1	1	389.282	2.337	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@]1(O)CCCOC1	ZINC000851831841	654186494	/nfs/dbraw/zinc/18/64/94/654186494.db2.gz	AUYNAGIQAGNEJC-HNNXBMFYSA-N	-1	1	392.861	2.094	20	5		GEBDMM
CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C	ZINC000831965407	654220536	/nfs/dbraw/zinc/22/05/36/654220536.db2.gz	ZSGOIYLPNXSFSR-VIFPVBQESA-N	-1	1	379.460	2.238	20	5		GEBDMM
COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000832034220	654226471	/nfs/dbraw/zinc/22/64/71/654226471.db2.gz	KYNCMIYVZCMUMK-XCBNKYQSSA-N	-1	1	380.781	2.007	20	5		GEBDMM
O=C([O-])CC[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)(F)F	ZINC000853072000	654276905	/nfs/dbraw/zinc/27/69/05/654276905.db2.gz	XDMLJJFVFASYBN-ZETCQYMHSA-N	-1	1	388.295	2.056	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOC1CCSCC1	ZINC000908462113	654631282	/nfs/dbraw/zinc/63/12/82/654631282.db2.gz	POKTWIZMRJJWLL-UHFFFAOYSA-N	-1	1	380.875	2.439	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCOC1	ZINC000171421363	531906762	/nfs/dbraw/zinc/90/67/62/531906762.db2.gz	QNRDPFQWPZLCNG-SECBINFHSA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)s1	ZINC000173153626	531990791	/nfs/dbraw/zinc/99/07/91/531990791.db2.gz	HVGJAPZUDRZHOH-UHFFFAOYSA-N	-1	1	388.496	2.234	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cn2)s1	ZINC000125743556	532141346	/nfs/dbraw/zinc/14/13/46/532141346.db2.gz	ZDAWLFHJCNKQDY-UHFFFAOYSA-N	-1	1	397.356	2.427	20	5		GEBDMM
CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178561615	532205362	/nfs/dbraw/zinc/20/53/62/532205362.db2.gz	FYAQUXQDUDCHQK-GFCCVEGCSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO	ZINC000178915662	532217447	/nfs/dbraw/zinc/21/74/47/532217447.db2.gz	GWZYEKSPPBIYQB-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=C(NCCOc1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186995692	532342910	/nfs/dbraw/zinc/34/29/10/532342910.db2.gz	MZHRHHUZIJQVOR-UHFFFAOYSA-N	-1	1	382.170	2.267	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCN(CC(F)(F)F)CC2)s1	ZINC000188332358	532347861	/nfs/dbraw/zinc/34/78/61/532347861.db2.gz	VYAQUQRQWAHYID-UHFFFAOYSA-N	-1	1	387.405	2.209	20	5		GEBDMM
Cc1ccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000188352492	532347988	/nfs/dbraw/zinc/34/79/88/532347988.db2.gz	IVQJZQVKZNODMO-ZDUSSCGKSA-N	-1	1	384.841	2.439	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc3c(c2)OCCO3)s1	ZINC000467768704	532454907	/nfs/dbraw/zinc/45/49/07/532454907.db2.gz	IRBZBYFOWSJCAI-UHFFFAOYSA-N	-1	1	384.435	2.339	20	5		GEBDMM
CCC(CC)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000295689856	532468980	/nfs/dbraw/zinc/46/89/80/532468980.db2.gz	LMYKXMQKMQEDRX-UHFFFAOYSA-N	-1	1	384.241	2.224	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1nccs1	ZINC000468799727	532475908	/nfs/dbraw/zinc/47/59/08/532475908.db2.gz	BSUQEODOWIVLJF-LLVKDONJSA-N	-1	1	385.423	2.268	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])n1	ZINC000565860748	532581109	/nfs/dbraw/zinc/58/11/09/532581109.db2.gz	PWCNIQQFIMVQSB-MRVPVSSYSA-N	-1	1	376.847	2.492	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599460008	532660744	/nfs/dbraw/zinc/66/07/44/532660744.db2.gz	PSIAOYUAPVOVRL-NMSKTSORSA-N	-1	1	393.259	2.448	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O	ZINC000377296931	532649620	/nfs/dbraw/zinc/64/96/20/532649620.db2.gz	AFFDZNZJWARRKK-NHYWBVRUSA-N	-1	1	384.797	2.021	20	5		GEBDMM
Cc1cc(Br)c([O-])c(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1	ZINC000482575224	532672488	/nfs/dbraw/zinc/67/24/88/532672488.db2.gz	KBFZIEFSFXSQEU-UHFFFAOYSA-N	-1	1	382.170	2.172	20	5		GEBDMM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000265226075	532689273	/nfs/dbraw/zinc/68/92/73/532689273.db2.gz	ULZIQAOGNYFMKL-GHMZBOCLSA-N	-1	1	389.861	2.174	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1cccs1)C1(CO)CCC1	ZINC000569195785	532690990	/nfs/dbraw/zinc/69/09/90/532690990.db2.gz	SDKSBIJAUTWQJO-CYBMUJFWSA-N	-1	1	383.451	2.234	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)F)s1	ZINC000443219950	532741875	/nfs/dbraw/zinc/74/18/75/532741875.db2.gz	DZOMTEGIAZPIDG-UHFFFAOYSA-N	-1	1	379.366	2.174	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000330500116	532819631	/nfs/dbraw/zinc/81/96/31/532819631.db2.gz	NDFCJBGNZFXIFP-KCJUWKMLSA-N	-1	1	379.232	2.203	20	5		GEBDMM
C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000289275100	532852015	/nfs/dbraw/zinc/85/20/15/532852015.db2.gz	DOUDGRMKSZDPFW-MRVPVSSYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
O=C(CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)NC1CC1	ZINC000289629342	532861160	/nfs/dbraw/zinc/86/11/60/532861160.db2.gz	YNNSSYLZZXJZPK-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
CN(C)C(=O)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000289649244	532861903	/nfs/dbraw/zinc/86/19/03/532861903.db2.gz	ZYFXXEJFHUANMU-UHFFFAOYSA-N	-1	1	384.241	2.048	20	5		GEBDMM
C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290722607	532887896	/nfs/dbraw/zinc/88/78/96/532887896.db2.gz	KMTYQVMTGDTINW-DTWKUNHWSA-N	-1	1	399.252	2.374	20	5		GEBDMM
C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290722605	532887934	/nfs/dbraw/zinc/88/79/34/532887934.db2.gz	KMTYQVMTGDTINW-BDAKNGLRSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CN(c3ccc(F)cc3)C2=O)s1	ZINC000368234008	532930937	/nfs/dbraw/zinc/93/09/37/532930937.db2.gz	ILCXJGLLFRDWBQ-JTQLQIEISA-N	-1	1	385.398	2.026	20	5		GEBDMM
Cc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)n1	ZINC000737545593	599064068	/nfs/dbraw/zinc/06/40/68/599064068.db2.gz	IEPFSVVCRNXIRH-UHFFFAOYSA-N	-1	1	396.323	2.233	20	5		GEBDMM
Cc1noc(COc2ccc(Oc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)n1	ZINC000737545593	599064071	/nfs/dbraw/zinc/06/40/71/599064071.db2.gz	IEPFSVVCRNXIRH-UHFFFAOYSA-N	-1	1	396.323	2.233	20	5		GEBDMM
CCc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC	ZINC000736705931	599157519	/nfs/dbraw/zinc/15/75/19/599157519.db2.gz	CUEJGZOMWXJUSU-UHFFFAOYSA-N	-1	1	389.803	2.158	20	5		GEBDMM
COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)c1	ZINC000821669246	599283699	/nfs/dbraw/zinc/28/36/99/599283699.db2.gz	BXGHIUUZENJRLX-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(Cl)c1	ZINC000821669246	599283701	/nfs/dbraw/zinc/28/37/01/599283701.db2.gz	BXGHIUUZENJRLX-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823548123	599309638	/nfs/dbraw/zinc/30/96/38/599309638.db2.gz	UHFALXNYWHVCAS-TWGQIWQCSA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823548123	599309639	/nfs/dbraw/zinc/30/96/39/599309639.db2.gz	UHFALXNYWHVCAS-TWGQIWQCSA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(c3nnc4ccccn43)CC2)cc1-c1nnn[n-]1	ZINC000826499033	607451054	/nfs/dbraw/zinc/45/10/54/607451054.db2.gz	SIZHZALBVUCYIE-UHFFFAOYSA-N	-1	1	391.395	2.202	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(c3nnc4ccccn43)CC2)cc1-c1nn[n-]n1	ZINC000826499033	607451056	/nfs/dbraw/zinc/45/10/56/607451056.db2.gz	SIZHZALBVUCYIE-UHFFFAOYSA-N	-1	1	391.395	2.202	20	5		GEBDMM
O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1Cl	ZINC000826438282	607452393	/nfs/dbraw/zinc/45/23/93/607452393.db2.gz	WHJLSHHJSVTODZ-UHFFFAOYSA-N	-1	1	387.787	2.270	20	5		GEBDMM
O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1Cl	ZINC000826438282	607452394	/nfs/dbraw/zinc/45/23/94/607452394.db2.gz	WHJLSHHJSVTODZ-UHFFFAOYSA-N	-1	1	387.787	2.270	20	5		GEBDMM
O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nnn[n-]1	ZINC000826499086	607452898	/nfs/dbraw/zinc/45/28/98/607452898.db2.gz	VEMYYWVMSCNDIH-CYBMUJFWSA-N	-1	1	379.380	2.272	20	5		GEBDMM
O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nn[n-]n1	ZINC000826499086	607452899	/nfs/dbraw/zinc/45/28/99/607452899.db2.gz	VEMYYWVMSCNDIH-CYBMUJFWSA-N	-1	1	379.380	2.272	20	5		GEBDMM
O=[N+]([O-])c1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1	ZINC000826499654	607572784	/nfs/dbraw/zinc/57/27/84/607572784.db2.gz	REOPFYXVUIIHAF-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CC(C)CCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824242714	607572884	/nfs/dbraw/zinc/57/28/84/607572884.db2.gz	AMZYQCRIVWOUJS-NSHDSACASA-N	-1	1	382.446	2.268	20	5		GEBDMM
C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824925259	607616860	/nfs/dbraw/zinc/61/68/60/607616860.db2.gz	CHYRSPUCMDGSEG-RYUDHWBXSA-N	-1	1	394.457	2.270	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1	ZINC000821670066	606454879	/nfs/dbraw/zinc/45/48/79/606454879.db2.gz	LRQOJRRUNAITTN-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1	ZINC000821670066	606454881	/nfs/dbraw/zinc/45/48/81/606454881.db2.gz	LRQOJRRUNAITTN-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
O=C(c1ccsc1)N1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000823498450	606646206	/nfs/dbraw/zinc/64/62/06/606646206.db2.gz	QCOJKGJRNFBCEW-UHFFFAOYSA-N	-1	1	399.436	2.189	20	5		GEBDMM
C[C@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)CCO1	ZINC000820774540	606710291	/nfs/dbraw/zinc/71/02/91/606710291.db2.gz	FLWRRUFBWYEFSE-NSHDSACASA-N	-1	1	382.384	2.139	20	5		GEBDMM
C[C@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)CCO1	ZINC000820774540	606710292	/nfs/dbraw/zinc/71/02/92/606710292.db2.gz	FLWRRUFBWYEFSE-NSHDSACASA-N	-1	1	382.384	2.139	20	5		GEBDMM
COC(=O)Nc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821664755	606712154	/nfs/dbraw/zinc/71/21/54/606712154.db2.gz	HUSUATRUHRTMPN-UHFFFAOYSA-N	-1	1	384.356	2.003	20	5		GEBDMM
COC(=O)Nc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821664755	606712155	/nfs/dbraw/zinc/71/21/55/606712155.db2.gz	HUSUATRUHRTMPN-UHFFFAOYSA-N	-1	1	384.356	2.003	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000823619816	606719763	/nfs/dbraw/zinc/71/97/63/606719763.db2.gz	BLPLPWQLFASYQV-VIFPVBQESA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCN(c2c(F)cccc2F)C1	ZINC000823619816	606719764	/nfs/dbraw/zinc/71/97/64/606719764.db2.gz	BLPLPWQLFASYQV-VIFPVBQESA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccccc2Cl)CC1	ZINC000823620292	607161695	/nfs/dbraw/zinc/16/16/95/607161695.db2.gz	JOBYQVSNJZYOCO-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccccc2Cl)CC1	ZINC000823620292	607161696	/nfs/dbraw/zinc/16/16/96/607161696.db2.gz	JOBYQVSNJZYOCO-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
CN(CCOc1cccc(Cl)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821605107	607164266	/nfs/dbraw/zinc/16/42/66/607164266.db2.gz	VQWGFPQPQPFCCQ-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
CN(CCOc1cccc(Cl)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821605107	607164267	/nfs/dbraw/zinc/16/42/67/607164267.db2.gz	VQWGFPQPQPFCCQ-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
Cc1ccc(-c2nnc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])n2C)cc1	ZINC000822215064	607164958	/nfs/dbraw/zinc/16/49/58/607164958.db2.gz	KOMJKRFKIZZUOV-UHFFFAOYSA-N	-1	1	395.408	2.425	20	5		GEBDMM
Cc1ccc(-c2nnc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])n2C)cc1	ZINC000822215064	607164960	/nfs/dbraw/zinc/16/49/60/607164960.db2.gz	KOMJKRFKIZZUOV-UHFFFAOYSA-N	-1	1	395.408	2.425	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cc(Cl)c2c(c1)OCCO2	ZINC000823624772	607167800	/nfs/dbraw/zinc/16/78/00/607167800.db2.gz	IYFNYIDUZZWANG-UHFFFAOYSA-N	-1	1	389.759	2.207	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cc(Cl)c2c(c1)OCCO2	ZINC000823624772	607167802	/nfs/dbraw/zinc/16/78/02/607167802.db2.gz	IYFNYIDUZZWANG-UHFFFAOYSA-N	-1	1	389.759	2.207	20	5		GEBDMM
C[C@@H](CC(=O)OCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000824393841	607810926	/nfs/dbraw/zinc/81/09/26/607810926.db2.gz	UOGLGOYMOZBRQN-NSHDSACASA-N	-1	1	383.368	2.104	20	5		GEBDMM
C[C@@H](CC(=O)OCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000824393841	607810927	/nfs/dbraw/zinc/81/09/27/607810927.db2.gz	UOGLGOYMOZBRQN-NSHDSACASA-N	-1	1	383.368	2.104	20	5		GEBDMM
C[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824897889	608565152	/nfs/dbraw/zinc/56/51/52/608565152.db2.gz	CKFOBEZTCKDMAC-GRYCIOLGSA-N	-1	1	392.441	2.117	20	5		GEBDMM
CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000480703277	650628819	/nfs/dbraw/zinc/62/88/19/650628819.db2.gz	JWLJMHGXSGKKJN-NSHDSACASA-N	-1	1	381.248	2.043	20	5		GEBDMM
Cc1ncsc1[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000530338603	650721870	/nfs/dbraw/zinc/72/18/70/650721870.db2.gz	LTHBOYBWHRJVBC-VIFPVBQESA-N	-1	1	391.814	2.117	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCN(c2cccc(Cl)c2)C1	ZINC000530951633	650731712	/nfs/dbraw/zinc/73/17/12/650731712.db2.gz	PQTXEIKORZCBOY-LBPRGKRZSA-N	-1	1	382.829	2.200	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1	ZINC000532167952	650745433	/nfs/dbraw/zinc/74/54/33/650745433.db2.gz	RQQYWZLNUQFRNA-UHFFFAOYSA-N	-1	1	398.750	2.486	20	5		GEBDMM
CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000028259218	642448539	/nfs/dbraw/zinc/44/85/39/642448539.db2.gz	AEIJVTDNDQQATL-UHFFFAOYSA-N	-1	1	383.813	2.338	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)cc3c2OCOC3)s1	ZINC000066000361	642893908	/nfs/dbraw/zinc/89/39/08/642893908.db2.gz	NUZQJOUDINEYGB-UHFFFAOYSA-N	-1	1	388.398	2.183	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000102411737	643125841	/nfs/dbraw/zinc/12/58/41/643125841.db2.gz	CYBZLZMYHYCTTG-GHMZBOCLSA-N	-1	1	389.861	2.316	20	5		GEBDMM
CC(C)NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000116356119	643459499	/nfs/dbraw/zinc/45/94/99/643459499.db2.gz	AVVBTWZQYXTZMG-GHMZBOCLSA-N	-1	1	375.472	2.018	20	5		GEBDMM
CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119132120	643537794	/nfs/dbraw/zinc/53/77/94/643537794.db2.gz	UTTMEEQGZFTAEQ-GFCCVEGCSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=C1CCCCCN1CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000119525641	643554709	/nfs/dbraw/zinc/55/47/09/643554709.db2.gz	JXPARCVAHCRQNV-UHFFFAOYSA-N	-1	1	389.861	2.319	20	5		GEBDMM
CC(C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2ccccn21	ZINC000119953593	643581408	/nfs/dbraw/zinc/58/14/08/643581408.db2.gz	ZJDJXCRDHGEUIO-CYBMUJFWSA-N	-1	1	381.439	2.375	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccn1	ZINC000121576251	643635832	/nfs/dbraw/zinc/63/58/32/643635832.db2.gz	ANNPDJYTYVQBBG-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F	ZINC000125598176	643709189	/nfs/dbraw/zinc/70/91/89/643709189.db2.gz	NHIROHLNYBHWNN-UHFFFAOYSA-N	-1	1	380.279	2.453	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Br)cc1F	ZINC000133583073	643897116	/nfs/dbraw/zinc/89/71/16/643897116.db2.gz	YIJRNBRKLSXLNX-UHFFFAOYSA-N	-1	1	391.178	2.197	20	5		GEBDMM
Cc1ccc(NCCC[N-]S(=O)(=O)c2ncn(C)c2Cl)c([N+](=O)[O-])c1	ZINC000151689973	643951141	/nfs/dbraw/zinc/95/11/41/643951141.db2.gz	OTTMEIKYVMMTCK-UHFFFAOYSA-N	-1	1	387.849	2.071	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1F	ZINC000171596168	644328954	/nfs/dbraw/zinc/32/89/54/644328954.db2.gz	GEYMBYQPBIUPTE-UHFFFAOYSA-N	-1	1	376.312	2.369	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000177386033	644415693	/nfs/dbraw/zinc/41/56/93/644415693.db2.gz	WMSTUYAFGVKPCH-VIFPVBQESA-N	-1	1	381.801	2.330	20	5		GEBDMM
C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000270577974	646121497	/nfs/dbraw/zinc/12/14/97/646121497.db2.gz	VVNSHTUQUPVFEI-VIFPVBQESA-N	-1	1	396.265	2.205	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F	ZINC000277527608	646436636	/nfs/dbraw/zinc/43/66/36/646436636.db2.gz	UPKQUXROGWNXHV-UHFFFAOYSA-N	-1	1	394.730	2.444	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccn(C)n1	ZINC000416555411	648170457	/nfs/dbraw/zinc/17/04/57/648170457.db2.gz	FCUUCGZZXSCEQZ-QMMMGPOBSA-N	-1	1	389.231	2.130	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F	ZINC000416593113	648180000	/nfs/dbraw/zinc/18/00/00/648180000.db2.gz	CYNFHRHAWGZPIK-MRVPVSSYSA-N	-1	1	384.332	2.248	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)O1	ZINC000416606426	648185141	/nfs/dbraw/zinc/18/51/41/648185141.db2.gz	NUBFHFXSNMHUFN-UTLUCORTSA-N	-1	1	393.259	2.449	20	5		GEBDMM
COC1([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000420760514	648452466	/nfs/dbraw/zinc/45/24/66/648452466.db2.gz	JRKYLSNNTYMMBE-JTQLQIEISA-N	-1	1	378.834	2.111	20	5		GEBDMM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CCCC1	ZINC000555889190	651232202	/nfs/dbraw/zinc/23/22/02/651232202.db2.gz	LAMVTFUWOMAKDU-UHFFFAOYSA-N	-1	1	395.217	2.378	20	5		GEBDMM
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1	ZINC000726795752	651503079	/nfs/dbraw/zinc/50/30/79/651503079.db2.gz	QYMRMJHDDFDUOC-LURJTMIESA-N	-1	1	391.203	2.088	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2c1OCCO2	ZINC000728060428	651536814	/nfs/dbraw/zinc/53/68/14/651536814.db2.gz	QAYNCJFEKMMLAB-UHFFFAOYSA-N	-1	1	384.797	2.498	20	5		GEBDMM
C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000612146133	651746995	/nfs/dbraw/zinc/74/69/95/651746995.db2.gz	RXODASHYGLOQSL-PELKAZGASA-N	-1	1	379.232	2.203	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000741158463	651937937	/nfs/dbraw/zinc/93/79/37/651937937.db2.gz	UQLYCDKLHILXQZ-JTQLQIEISA-N	-1	1	378.834	2.316	20	5		GEBDMM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC000619466680	652059641	/nfs/dbraw/zinc/05/96/41/652059641.db2.gz	JMTFJDPLEVKRJZ-UHFFFAOYSA-N	-1	1	385.785	2.157	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC1CCCC1	ZINC000751976077	652374220	/nfs/dbraw/zinc/37/42/20/652374220.db2.gz	WULYHRGBPYZVQW-VIFPVBQESA-N	-1	1	376.818	2.401	20	5		GEBDMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745959	652521835	/nfs/dbraw/zinc/52/18/35/652521835.db2.gz	UTHCKCLJGATDSU-SNVBAGLBSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000592084633	652584476	/nfs/dbraw/zinc/58/44/76/652584476.db2.gz	WGCUUCSSHDZPHX-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@]1(O)CCCOC1	ZINC000595365824	652715775	/nfs/dbraw/zinc/71/57/75/652715775.db2.gz	FRLZZFBYWGXACI-HNNXBMFYSA-N	-1	1	392.861	2.094	20	5		GEBDMM
COc1cc(OC)c(OC)cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768795287	653126734	/nfs/dbraw/zinc/12/67/34/653126734.db2.gz	PTFZCNCJFCJKSR-UHFFFAOYSA-N	-1	1	388.423	2.161	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000768838948	653129825	/nfs/dbraw/zinc/12/98/25/653129825.db2.gz	YUGKPRVGJILPOD-NSHDSACASA-N	-1	1	385.471	2.404	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c(Cl)cc1Cl	ZINC000809816738	653299605	/nfs/dbraw/zinc/29/96/05/653299605.db2.gz	OBAHGZAWORARPC-SECBINFHSA-N	-1	1	399.252	2.233	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1	ZINC000809822982	653302478	/nfs/dbraw/zinc/30/24/78/653302478.db2.gz	GGZDMIKJKUSQFU-UHFFFAOYSA-N	-1	1	380.781	2.151	20	5		GEBDMM
Cn1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1	ZINC000809831138	653305538	/nfs/dbraw/zinc/30/55/38/653305538.db2.gz	RJEJMCQJIAGWGQ-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ncn(C)n1	ZINC000809836589	653307349	/nfs/dbraw/zinc/30/73/49/653307349.db2.gz	OOEGFQYMNACVMA-LURJTMIESA-N	-1	1	380.213	2.070	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCC2(CC1)OCCO2	ZINC000814991822	653642387	/nfs/dbraw/zinc/64/23/87/653642387.db2.gz	ACXIQXOZEKHWQH-UHFFFAOYSA-N	-1	1	394.808	2.351	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000815007931	653642792	/nfs/dbraw/zinc/64/27/92/653642792.db2.gz	IQAHRSPTEZEGQF-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815011576	653643276	/nfs/dbraw/zinc/64/32/76/653643276.db2.gz	RSMPZSBQGAQRRY-UHFFFAOYSA-N	-1	1	393.824	2.068	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)c1ccccc1	ZINC000815022973	653644944	/nfs/dbraw/zinc/64/49/44/653644944.db2.gz	FRTVNXHWYQSQKB-NSHDSACASA-N	-1	1	388.804	2.442	20	5		GEBDMM
CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815030691	653646359	/nfs/dbraw/zinc/64/63/59/653646359.db2.gz	QVKJCAKRGAKHQI-ZDUSSCGKSA-N	-1	1	380.825	2.463	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1	ZINC000815033878	653646614	/nfs/dbraw/zinc/64/66/14/653646614.db2.gz	WLXWIEWTJUXHKO-JTQLQIEISA-N	-1	1	378.765	2.382	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815079414	653650265	/nfs/dbraw/zinc/65/02/65/653650265.db2.gz	PYULKCNQVFLIEW-NSHDSACASA-N	-1	1	397.222	2.200	20	5		GEBDMM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000841538289	653729808	/nfs/dbraw/zinc/72/98/08/653729808.db2.gz	CTNYFRUCURQFAZ-UHFFFAOYSA-N	-1	1	391.812	2.281	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)cc1Cl	ZINC000841571298	653736429	/nfs/dbraw/zinc/73/64/29/653736429.db2.gz	DJOJKCHISNWAQG-SSDOTTSWSA-N	-1	1	387.767	2.005	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1-c1nnn[n-]1	ZINC000822530627	653830852	/nfs/dbraw/zinc/83/08/52/653830852.db2.gz	KCCPQPJWEVLMSW-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000822530627	653830853	/nfs/dbraw/zinc/83/08/53/653830853.db2.gz	KCCPQPJWEVLMSW-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
CCN1C[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000845994360	653878547	/nfs/dbraw/zinc/87/85/47/653878547.db2.gz	PMLPMDOEZUDWCK-QMMMGPOBSA-N	-1	1	396.252	2.048	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1	ZINC000849415177	654027556	/nfs/dbraw/zinc/02/75/56/654027556.db2.gz	YCCHHNNIYPGZKB-GZMMTYOYSA-N	-1	1	399.252	2.231	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c1Cl	ZINC000849471983	654044576	/nfs/dbraw/zinc/04/45/76/654044576.db2.gz	YNYNHDMRSUWHMV-UWVGGRQHSA-N	-1	1	381.237	2.483	20	5		GEBDMM
CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830995771	654154996	/nfs/dbraw/zinc/15/49/96/654154996.db2.gz	KYCOAMAFZJDLMD-APPZFPTMSA-N	-1	1	396.252	2.095	20	5		GEBDMM
CC[C@]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)(C(N)=O)C(C)C	ZINC000831069850	654159465	/nfs/dbraw/zinc/15/94/65/654159465.db2.gz	XKVKTYBWGFLSBD-CYBMUJFWSA-N	-1	1	398.268	2.470	20	5		GEBDMM
CC[C@@]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)(C(N)=O)C(C)C	ZINC000831069851	654159624	/nfs/dbraw/zinc/15/96/24/654159624.db2.gz	XKVKTYBWGFLSBD-ZDUSSCGKSA-N	-1	1	398.268	2.470	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CC=CCC2)c1Cl	ZINC000831337907	654179225	/nfs/dbraw/zinc/17/92/25/654179225.db2.gz	ARVOFDMTMLZUKN-UHFFFAOYSA-N	-1	1	380.253	2.442	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)s1	ZINC000921065507	654233977	/nfs/dbraw/zinc/23/39/77/654233977.db2.gz	GCSHOSTUIPRPPW-UHFFFAOYSA-N	-1	1	380.407	2.109	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl	ZINC000832230398	654249147	/nfs/dbraw/zinc/24/91/47/654249147.db2.gz	CBMWNWUJKPJFOL-BONVTDFDSA-N	-1	1	392.836	2.463	20	5		GEBDMM
CC1(C)COC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832510799	654270797	/nfs/dbraw/zinc/27/07/97/654270797.db2.gz	FOBAXDSDWREWNA-LLVKDONJSA-N	-1	1	397.222	2.200	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C1CC1	ZINC000908408475	654627199	/nfs/dbraw/zinc/62/71/99/654627199.db2.gz	HRUBVAZJGLZQSM-GHMZBOCLSA-N	-1	1	391.243	2.061	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000028250304	531630444	/nfs/dbraw/zinc/63/04/44/531630444.db2.gz	OQRXQTVOBXWRKR-UHFFFAOYSA-N	-1	1	385.423	2.076	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1	ZINC000063886566	531863168	/nfs/dbraw/zinc/86/31/68/531863168.db2.gz	HGIRHAQHUFSHJF-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000170659255	531888307	/nfs/dbraw/zinc/88/83/07/531888307.db2.gz	XOSLPQRGQDQASF-UHFFFAOYSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)on1	ZINC000173195378	531994730	/nfs/dbraw/zinc/99/47/30/531994730.db2.gz	DTLNAVRMJLRVRJ-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O	ZINC000121286250	532021974	/nfs/dbraw/zinc/02/19/74/532021974.db2.gz	JBIDUXHUVHUDGF-SKDRFNHKSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12	ZINC000190652485	532357184	/nfs/dbraw/zinc/35/71/84/532357184.db2.gz	CYUVJYOWOJRVKE-CKYFFXLPSA-N	-1	1	391.243	2.203	20	5		GEBDMM
C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000463230696	532369749	/nfs/dbraw/zinc/36/97/49/532369749.db2.gz	QGSVIWRGUMRIFH-TZNOJPMFSA-N	-1	1	376.818	2.424	20	5		GEBDMM
CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1	ZINC000465482276	532415558	/nfs/dbraw/zinc/41/55/58/532415558.db2.gz	GUQVQPFKQCJLGZ-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000593275256	532479440	/nfs/dbraw/zinc/47/94/40/532479440.db2.gz	WHGVNEMUOMRKLP-LURJTMIESA-N	-1	1	383.209	2.433	20	5		GEBDMM
CCSc1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1	ZINC000520235708	532487142	/nfs/dbraw/zinc/48/71/42/532487142.db2.gz	TUVQPNWVDNBPHE-UHFFFAOYSA-N	-1	1	377.411	2.391	20	5		GEBDMM
COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000468753756	532474527	/nfs/dbraw/zinc/47/45/27/532474527.db2.gz	AFUHYADOIDYBCR-CQSZACIVSA-N	-1	1	384.435	2.033	20	5		GEBDMM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000296326330	532514386	/nfs/dbraw/zinc/51/43/86/532514386.db2.gz	UMPUNWGLOPVMEE-QMMMGPOBSA-N	-1	1	399.238	2.183	20	5		GEBDMM
CS(=O)(=O)[N-]c1ccc(Oc2ncc([N+](=O)[O-])cc2Br)cn1	ZINC000567784021	532663300	/nfs/dbraw/zinc/66/33/00/532663300.db2.gz	YQRFXOJQGWXICF-UHFFFAOYSA-N	-1	1	389.187	2.311	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O	ZINC000377296929	532650122	/nfs/dbraw/zinc/65/01/22/532650122.db2.gz	AFFDZNZJWARRKK-ABAIWWIYSA-N	-1	1	384.797	2.021	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O	ZINC000377301988	532650695	/nfs/dbraw/zinc/65/06/95/532650695.db2.gz	YQYQDEQFQRSQIW-SMDDNHRTSA-N	-1	1	384.797	2.021	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCSC1	ZINC000286037463	532726125	/nfs/dbraw/zinc/72/61/25/532726125.db2.gz	QFZXOTYXVATUCD-ZCFIWIBFSA-N	-1	1	385.236	2.280	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@]12CCCO2	ZINC000273595559	532827610	/nfs/dbraw/zinc/82/76/10/532827610.db2.gz	KOZCELNLUCDZNY-GZBFAFLISA-N	-1	1	390.845	2.253	20	5		GEBDMM
Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1	ZINC000290253360	532876154	/nfs/dbraw/zinc/87/61/54/532876154.db2.gz	RPYBSSRWIRASOC-UHFFFAOYSA-N	-1	1	380.810	2.068	20	5		GEBDMM
O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1	ZINC000485813854	599945539	/nfs/dbraw/zinc/94/55/39/599945539.db2.gz	LKPBFMCVSUZSBP-NSHDSACASA-N	-1	1	386.339	2.284	20	5		GEBDMM
CCOCCN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1CC	ZINC000737177921	600259788	/nfs/dbraw/zinc/25/97/88/600259788.db2.gz	WLJRZRXXPHDDNA-LBPRGKRZSA-N	-1	1	396.400	2.138	20	5		GEBDMM
O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)N1CCCCC1	ZINC000826398661	607450527	/nfs/dbraw/zinc/45/05/27/607450527.db2.gz	BGMQBYSWSCOESK-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
O=C(C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)N1CCCCC1	ZINC000826398661	607450529	/nfs/dbraw/zinc/45/05/29/607450529.db2.gz	BGMQBYSWSCOESK-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)cc1-c1nnn[n-]1	ZINC000826498706	607454217	/nfs/dbraw/zinc/45/42/17/607454217.db2.gz	GFFPFRYHIGUICX-HNNXBMFYSA-N	-1	1	388.428	2.329	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)cc1-c1nn[n-]n1	ZINC000826498706	607454218	/nfs/dbraw/zinc/45/42/18/607454218.db2.gz	GFFPFRYHIGUICX-HNNXBMFYSA-N	-1	1	388.428	2.329	20	5		GEBDMM
O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000776576213	601613837	/nfs/dbraw/zinc/61/38/37/601613837.db2.gz	WTOGQHKUHDZXMZ-VIFPVBQESA-N	-1	1	383.209	2.433	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000832097793	602308156	/nfs/dbraw/zinc/30/81/56/602308156.db2.gz	MSHMQOSGPIUNBV-UHFFFAOYSA-N	-1	1	397.321	2.011	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000739376340	602419042	/nfs/dbraw/zinc/41/90/42/602419042.db2.gz	NVAROFHKGGENNZ-DGCLKSJQSA-N	-1	1	379.417	2.265	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc3cccnc32)c1-c1nn[n-]n1	ZINC000826500297	607572662	/nfs/dbraw/zinc/57/26/62/607572662.db2.gz	SJCUQKSWFKTRFU-UHFFFAOYSA-N	-1	1	398.360	2.091	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(Cl)c1	ZINC000826499824	607573134	/nfs/dbraw/zinc/57/31/34/607573134.db2.gz	ZEFVTWYXSGGTGP-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(Cl)c1	ZINC000826499824	607573136	/nfs/dbraw/zinc/57/31/36/607573136.db2.gz	ZEFVTWYXSGGTGP-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CCCCN([C@@H](C)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825282164	607587047	/nfs/dbraw/zinc/58/70/47/607587047.db2.gz	OZOSYJYYJPTMMD-NSHDSACASA-N	-1	1	382.446	2.364	20	5		GEBDMM
CCC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000825193991	607591942	/nfs/dbraw/zinc/59/19/42/607591942.db2.gz	OFWGXVFKVAOOEN-UHFFFAOYSA-N	-1	1	380.430	2.022	20	5		GEBDMM
CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825251565	607606264	/nfs/dbraw/zinc/60/62/64/607606264.db2.gz	CLJKAEGSYAMGRK-NEPJUHHUSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000825717183	607616723	/nfs/dbraw/zinc/61/67/23/607616723.db2.gz	ILUYZMARTPVSLD-UHFFFAOYSA-N	-1	1	389.393	2.413	20	5		GEBDMM
Cn1cc(CN2CCCN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])CC2)cn1	ZINC000833046826	604264012	/nfs/dbraw/zinc/26/40/12/604264012.db2.gz	VHQBJNGKEVLWEB-UHFFFAOYSA-N	-1	1	393.831	2.392	20	5		GEBDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000833627084	605053238	/nfs/dbraw/zinc/05/32/38/605053238.db2.gz	TVOMLRQIIUJZCA-HNNXBMFYSA-N	-1	1	392.456	2.108	20	5		GEBDMM
CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000833387965	605326131	/nfs/dbraw/zinc/32/61/31/605326131.db2.gz	FOQMINDLQFJZST-UHFFFAOYSA-N	-1	1	393.377	2.077	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1ncc(Cl)cc1Cl	ZINC000823624735	606698481	/nfs/dbraw/zinc/69/84/81/606698481.db2.gz	HUWOZZHCXWDYQJ-UHFFFAOYSA-N	-1	1	396.198	2.396	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1ncc(Cl)cc1Cl	ZINC000823624735	606698483	/nfs/dbraw/zinc/69/84/83/606698483.db2.gz	HUWOZZHCXWDYQJ-UHFFFAOYSA-N	-1	1	396.198	2.396	20	5		GEBDMM
CN(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(F)cccc1F	ZINC000821581776	606710446	/nfs/dbraw/zinc/71/04/46/606710446.db2.gz	UTRSALZRILTCSM-GFCCVEGCSA-N	-1	1	390.354	2.163	20	5		GEBDMM
CN(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(F)cccc1F	ZINC000821581776	606710447	/nfs/dbraw/zinc/71/04/47/606710447.db2.gz	UTRSALZRILTCSM-GFCCVEGCSA-N	-1	1	390.354	2.163	20	5		GEBDMM
Cc1noc(COc2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)n1	ZINC000822528047	606711178	/nfs/dbraw/zinc/71/11/78/606711178.db2.gz	QJBIBGSRRJLUNL-UHFFFAOYSA-N	-1	1	395.339	2.184	20	5		GEBDMM
Cc1noc(COc2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)n1	ZINC000822528047	606711179	/nfs/dbraw/zinc/71/11/79/606711179.db2.gz	QJBIBGSRRJLUNL-UHFFFAOYSA-N	-1	1	395.339	2.184	20	5		GEBDMM
CC(C)(C)C[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000819907881	606731658	/nfs/dbraw/zinc/73/16/58/606731658.db2.gz	RYNBALJVQUDGEO-NSHDSACASA-N	-1	1	394.457	2.364	20	5		GEBDMM
CC(C)(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000819907390	606733726	/nfs/dbraw/zinc/73/37/26/606733726.db2.gz	NZFYEZASAYJCHF-UHFFFAOYSA-N	-1	1	394.457	2.222	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1	ZINC000822203171	607018643	/nfs/dbraw/zinc/01/86/43/607018643.db2.gz	HUVVVCVQBPWYOS-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820072733	607143548	/nfs/dbraw/zinc/14/35/48/607143548.db2.gz	LWBXBYDYQSSTOA-LBPRGKRZSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Cn2cccn2)cc1	ZINC000823625152	607166700	/nfs/dbraw/zinc/16/67/00/607166700.db2.gz	RCIBDJFHGFAEAT-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Cn2cccn2)cc1	ZINC000823625152	607166701	/nfs/dbraw/zinc/16/67/01/607166701.db2.gz	RCIBDJFHGFAEAT-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
Cc1cc([C@@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)ccc1F	ZINC000826266466	608154042	/nfs/dbraw/zinc/15/40/42/608154042.db2.gz	PRENOMYIOBAFTD-AWEZNQCLSA-N	-1	1	385.359	2.195	20	5		GEBDMM
Cc1cc([C@@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)ccc1F	ZINC000826266466	608154044	/nfs/dbraw/zinc/15/40/44/608154044.db2.gz	PRENOMYIOBAFTD-AWEZNQCLSA-N	-1	1	385.359	2.195	20	5		GEBDMM
CC(C)(C)OC(=O)C1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000824094552	608800079	/nfs/dbraw/zinc/80/00/79/608800079.db2.gz	YJAMSKXPBFSHGE-UHFFFAOYSA-N	-1	1	389.416	2.482	20	5		GEBDMM
CC(C)(C)OC(=O)C1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000824094552	608800081	/nfs/dbraw/zinc/80/00/81/608800081.db2.gz	YJAMSKXPBFSHGE-UHFFFAOYSA-N	-1	1	389.416	2.482	20	5		GEBDMM
O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc([N+](=O)[O-])cc1	ZINC000826458488	609292006	/nfs/dbraw/zinc/29/20/06/609292006.db2.gz	RPKHVCXUBOMFLY-UHFFFAOYSA-N	-1	1	394.326	2.352	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)cc1	ZINC000500469739	650378163	/nfs/dbraw/zinc/37/81/63/650378163.db2.gz	LLRKJDUILNHZAM-GFCCVEGCSA-N	-1	1	384.435	2.200	20	5		GEBDMM
C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000510505654	650512801	/nfs/dbraw/zinc/51/28/01/650512801.db2.gz	IFTDLRIPKVGDDC-CBAPKCEASA-N	-1	1	381.273	2.387	20	5		GEBDMM
COC(=O)c1coc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000479986105	650613874	/nfs/dbraw/zinc/61/38/74/650613874.db2.gz	BMNOEUPPIAPTLS-UHFFFAOYSA-N	-1	1	388.785	2.149	20	5		GEBDMM
NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000530940038	650731443	/nfs/dbraw/zinc/73/14/43/650731443.db2.gz	VKFMIVPRMQYBDZ-UHFFFAOYSA-N	-1	1	384.801	2.217	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)on1	ZINC000066576525	642922437	/nfs/dbraw/zinc/92/24/37/642922437.db2.gz	USRKURWLBQVWKW-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1	ZINC000106890340	643242896	/nfs/dbraw/zinc/24/28/96/643242896.db2.gz	JBANFBTWSLECJF-UHFFFAOYSA-N	-1	1	376.312	2.369	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F	ZINC000497932980	650841925	/nfs/dbraw/zinc/84/19/25/650841925.db2.gz	AUHDDAUAMOUJMC-SCZZXKLOSA-N	-1	1	376.740	2.228	20	5		GEBDMM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F	ZINC000119810677	643572380	/nfs/dbraw/zinc/57/23/80/643572380.db2.gz	IZMZJEFHZYRNGQ-CYBMUJFWSA-N	-1	1	378.378	2.121	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c(C(F)(F)F)c1	ZINC000544611824	650946136	/nfs/dbraw/zinc/94/61/36/650946136.db2.gz	XYWMTFWQJHOGHD-VIFPVBQESA-N	-1	1	396.265	2.205	20	5		GEBDMM
CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000545470912	650976152	/nfs/dbraw/zinc/97/61/52/650976152.db2.gz	QZIGZVCWSVLWAV-QMMMGPOBSA-N	-1	1	384.332	2.375	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271310017	646190251	/nfs/dbraw/zinc/19/02/51/646190251.db2.gz	YMKWFBFFHLTCFX-ZJUUUORDSA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cn1cnc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c1Cl	ZINC000272155597	646258079	/nfs/dbraw/zinc/25/80/79/646258079.db2.gz	MVFLFZCMMDXOMD-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
O=C1CCCN1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000279168306	646581680	/nfs/dbraw/zinc/58/16/80/646581680.db2.gz	CKNRCOYFBJZZSI-UHFFFAOYSA-N	-1	1	396.252	2.192	20	5		GEBDMM
C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000285632637	646859478	/nfs/dbraw/zinc/85/94/78/646859478.db2.gz	NYPLEQDNQIROMH-UWVGGRQHSA-N	-1	1	393.259	2.308	20	5		GEBDMM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)c1nn[n-]n1	ZINC000286147616	646867462	/nfs/dbraw/zinc/86/74/62/646867462.db2.gz	RQAVZTIESHEOLZ-ZETCQYMHSA-N	-1	1	383.206	2.055	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])n1	ZINC000435797673	648787912	/nfs/dbraw/zinc/78/79/12/648787912.db2.gz	FIDANKBDVHNMNI-UHFFFAOYSA-N	-1	1	378.332	2.309	20	5		GEBDMM
O=C([O-])Cc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548549697	651079951	/nfs/dbraw/zinc/07/99/51/651079951.db2.gz	VWBXEWIRLXZEHA-UHFFFAOYSA-N	-1	1	384.797	2.354	20	5		GEBDMM
CC(C)=CCSC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548593751	651081344	/nfs/dbraw/zinc/08/13/44/651081344.db2.gz	DJQPDWRKGMQQLU-NSHDSACASA-N	-1	1	392.430	2.165	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2sccc2Br)c([N+](=O)[O-])n1	ZINC000555411036	651224691	/nfs/dbraw/zinc/22/46/91/651224691.db2.gz	LUQCJKVTHBRTKR-UHFFFAOYSA-N	-1	1	395.260	2.114	20	5		GEBDMM
Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3)n2)c1[N+](=O)[O-]	ZINC000609168452	651611657	/nfs/dbraw/zinc/61/16/57/651611657.db2.gz	QJZPMTZETSWLAV-UHFFFAOYSA-N	-1	1	392.173	2.426	20	5		GEBDMM
C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000610739580	651680670	/nfs/dbraw/zinc/68/06/70/651680670.db2.gz	DIKSYCDKBCRAAD-NXEZZACHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611376503	651722161	/nfs/dbraw/zinc/72/21/61/651722161.db2.gz	XIIPDOQTVYUYAF-CABZTGNLSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CC(C)(C)OC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000734150496	651737228	/nfs/dbraw/zinc/73/72/28/651737228.db2.gz	FZBBBOPKMSFZIU-JTQLQIEISA-N	-1	1	391.471	2.334	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1sccc1Br	ZINC000572540793	651898813	/nfs/dbraw/zinc/89/88/13/651898813.db2.gz	YKAAYEJCNSBPKT-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)on1	ZINC000741250083	651942008	/nfs/dbraw/zinc/94/20/08/651942008.db2.gz	MOBGQBAQUCJUHH-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751388785	652344190	/nfs/dbraw/zinc/34/41/90/652344190.db2.gz	IFAACWVKFAFXAL-NOZJJQNGSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000753844974	652418405	/nfs/dbraw/zinc/41/84/05/652418405.db2.gz	IKJWJPHVVHAHTK-NSHDSACASA-N	-1	1	384.435	2.457	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])n1	ZINC000754805759	652447570	/nfs/dbraw/zinc/44/75/70/652447570.db2.gz	REXMUAFUCRENFH-VIFPVBQESA-N	-1	1	381.439	2.460	20	5		GEBDMM
Cn1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(C(F)(F)F)n1	ZINC000583577757	652490391	/nfs/dbraw/zinc/49/03/91/652490391.db2.gz	MWUHDXJRSQMNPC-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745896	652521856	/nfs/dbraw/zinc/52/18/56/652521856.db2.gz	UDJJLUOFCJIBLI-RDDDGLTNSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O	ZINC000590169949	652576000	/nfs/dbraw/zinc/57/60/00/652576000.db2.gz	KDBVXZZOZIWHER-NSHDSACASA-N	-1	1	381.248	2.185	20	5		GEBDMM
C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590175553	652576007	/nfs/dbraw/zinc/57/60/07/652576007.db2.gz	DCCOTQPIRTZLBI-NOZJJQNGSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593626280	652629587	/nfs/dbraw/zinc/62/95/87/652629587.db2.gz	STFULLGAMIDTIW-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CO)c1ccc(Cl)cc1	ZINC000805141248	653100811	/nfs/dbraw/zinc/10/08/11/653100811.db2.gz	ICUJXCJFZNLJLR-LLVKDONJSA-N	-1	1	388.804	2.442	20	5		GEBDMM
O=C(NC1CC1)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768808135	653127743	/nfs/dbraw/zinc/12/77/43/653127743.db2.gz	PRSSMEJZVKGREV-UHFFFAOYSA-N	-1	1	381.435	2.027	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1OC	ZINC000768815235	653128278	/nfs/dbraw/zinc/12/82/78/653128278.db2.gz	HUZRBCLKOZLHLJ-UHFFFAOYSA-N	-1	1	388.423	2.161	20	5		GEBDMM
COC(=O)[C@@H](C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768846650	653131566	/nfs/dbraw/zinc/13/15/66/653131566.db2.gz	MFNZPJPXWKDOCE-HZMBPMFUSA-N	-1	1	384.435	2.485	20	5		GEBDMM
CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000774797669	653259016	/nfs/dbraw/zinc/25/90/16/653259016.db2.gz	LQSSLXVSLGAURG-JOYOIKCWSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CC(C)N1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000809813341	653297885	/nfs/dbraw/zinc/29/78/85/653297885.db2.gz	DHNHSGFNPAEAIC-MRVPVSSYSA-N	-1	1	396.252	2.189	20	5		GEBDMM
COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809815436	653298453	/nfs/dbraw/zinc/29/84/53/653298453.db2.gz	HURLRSVSLIJRHC-UHFFFAOYSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=C1CCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809815563	653298504	/nfs/dbraw/zinc/29/85/04/653298504.db2.gz	JCWMMEBMDKSCSJ-UHFFFAOYSA-N	-1	1	393.824	2.068	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC23OCCO3)cc1Cl	ZINC000809827471	653303803	/nfs/dbraw/zinc/30/38/03/653303803.db2.gz	OVTOPQKINRHZCA-CYBMUJFWSA-N	-1	1	394.808	2.351	20	5		GEBDMM
CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809829612	653305085	/nfs/dbraw/zinc/30/50/85/653305085.db2.gz	FFPBCJLSMORXCC-XCBNKYQSSA-N	-1	1	396.252	2.095	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H]1OC	ZINC000809831128	653305317	/nfs/dbraw/zinc/30/53/17/653305317.db2.gz	QUCHWSGEHGMBNS-UFGOTCBOSA-N	-1	1	399.252	2.372	20	5		GEBDMM
O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(Br)cn1	ZINC000780076859	653620030	/nfs/dbraw/zinc/62/00/30/653620030.db2.gz	XFYXNYINPJYWCK-UHFFFAOYSA-N	-1	1	396.153	2.253	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCc1ccc(CO)cc1	ZINC000815029945	653646088	/nfs/dbraw/zinc/64/60/88/653646088.db2.gz	DYDOTCSEERFRPJ-UHFFFAOYSA-N	-1	1	388.804	2.401	20	5		GEBDMM
CCOC(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])OCC	ZINC000815035628	653646830	/nfs/dbraw/zinc/64/68/30/653646830.db2.gz	JQDQKSQXDNNZGB-UHFFFAOYSA-N	-1	1	384.813	2.455	20	5		GEBDMM
Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000841480490	653719650	/nfs/dbraw/zinc/71/96/50/653719650.db2.gz	OAZCYQJJGRMYBR-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000841554956	653732426	/nfs/dbraw/zinc/73/24/26/653732426.db2.gz	VGAIQTHYDQKOKY-QMMMGPOBSA-N	-1	1	399.238	2.447	20	5		GEBDMM
CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000841567863	653735719	/nfs/dbraw/zinc/73/57/19/653735719.db2.gz	VIALVNACFZELIO-ZETCQYMHSA-N	-1	1	384.241	2.093	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(CC(F)F)C1	ZINC000841572556	653736578	/nfs/dbraw/zinc/73/65/78/653736578.db2.gz	PPBYWXMQCGJHEA-ZETCQYMHSA-N	-1	1	387.767	2.005	20	5		GEBDMM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1	ZINC000820555575	653776698	/nfs/dbraw/zinc/77/66/98/653776698.db2.gz	MZINTAGNTCAWAT-SSDOTTSWSA-N	-1	1	377.411	2.351	20	5		GEBDMM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1	ZINC000820555575	653776702	/nfs/dbraw/zinc/77/67/02/653776702.db2.gz	MZINTAGNTCAWAT-SSDOTTSWSA-N	-1	1	377.411	2.351	20	5		GEBDMM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCCO1	ZINC000795882294	653974808	/nfs/dbraw/zinc/97/48/08/653974808.db2.gz	SPNKZKCHZCQFQS-GFCCVEGCSA-N	-1	1	397.222	2.344	20	5		GEBDMM
CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000848509998	653984365	/nfs/dbraw/zinc/98/43/65/653984365.db2.gz	NOBOXBIJRZBBNP-GFCCVEGCSA-N	-1	1	376.406	2.379	20	5		GEBDMM
CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC	ZINC000828049123	654019516	/nfs/dbraw/zinc/01/95/16/654019516.db2.gz	LVRIDDLYQLKWDF-ZETCQYMHSA-N	-1	1	385.225	2.379	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1	ZINC000849469844	654044028	/nfs/dbraw/zinc/04/40/28/654044028.db2.gz	ALZGCDYZTFTOCQ-SNVBAGLBSA-N	-1	1	393.259	2.044	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1	ZINC000798224480	654054609	/nfs/dbraw/zinc/05/46/09/654054609.db2.gz	FVFNIPYMBWJSEC-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)cc1Cl	ZINC000798227130	654055598	/nfs/dbraw/zinc/05/55/98/654055598.db2.gz	KBSNFAMSHGJROM-HIFRSBDPSA-N	-1	1	386.788	2.324	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c1Cl	ZINC000830446194	654118962	/nfs/dbraw/zinc/11/89/62/654118962.db2.gz	WSGIHCHKINCCDD-VIFPVBQESA-N	-1	1	399.252	2.233	20	5		GEBDMM
Cn1nccc1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831106108	654164545	/nfs/dbraw/zinc/16/45/45/654164545.db2.gz	VQZLUHACJPARBY-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]([C@@H](CO)C1CC1)C1CC1	ZINC000832232297	654249461	/nfs/dbraw/zinc/24/94/61/654249461.db2.gz	PTBIZKFZLALKKC-ZUZCIYMTSA-N	-1	1	392.836	2.463	20	5		GEBDMM
CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)co1	ZINC000832479202	654268950	/nfs/dbraw/zinc/26/89/50/654268950.db2.gz	ZNOXOFXWGNJHNF-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
O=C([O-])[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCC1	ZINC000853025002	654273070	/nfs/dbraw/zinc/27/30/70/654273070.db2.gz	QXHKKRHWOOGMIP-SECBINFHSA-N	-1	1	380.781	2.167	20	5		GEBDMM
COCCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000152797455	531572113	/nfs/dbraw/zinc/57/21/13/531572113.db2.gz	CPFYAEYCHKALKM-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
COCCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000152796992	531572379	/nfs/dbraw/zinc/57/23/79/531572379.db2.gz	DVAPPVAEOPBPDY-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC000027598136	531624596	/nfs/dbraw/zinc/62/45/96/531624596.db2.gz	PRAGUTCZFVMJLR-UHFFFAOYSA-N	-1	1	385.785	2.157	20	5		GEBDMM
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000030530180	531639013	/nfs/dbraw/zinc/63/90/13/531639013.db2.gz	PNVPTZBMVWBPIV-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2	ZINC000044770020	531686957	/nfs/dbraw/zinc/68/69/57/531686957.db2.gz	PHSGCPCBGQHPGQ-UHFFFAOYSA-N	-1	1	385.833	2.045	20	5		GEBDMM
CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000175647470	532110157	/nfs/dbraw/zinc/11/01/57/532110157.db2.gz	PIUPVPGIUPFGDJ-JOMGAKPTSA-N	-1	1	378.447	2.092	20	5		GEBDMM
Cc1ocnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000128781570	532169042	/nfs/dbraw/zinc/16/90/42/532169042.db2.gz	ISDDEECOLMBVGX-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000178827581	532213975	/nfs/dbraw/zinc/21/39/75/532213975.db2.gz	GWEGJYVJUAIJNC-UHFFFAOYSA-N	-1	1	381.248	2.044	20	5		GEBDMM
CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nn[n-]n1	ZINC000136740764	532286860	/nfs/dbraw/zinc/28/68/60/532286860.db2.gz	YEJWKWLPPDIFNW-NSHDSACASA-N	-1	1	383.206	2.071	20	5		GEBDMM
CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1	ZINC000145467139	532297529	/nfs/dbraw/zinc/29/75/29/532297529.db2.gz	ANARXRCNBATWLB-UHFFFAOYSA-N	-1	1	384.439	2.301	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1ccc2c(c1)OCO2	ZINC000146566244	532298276	/nfs/dbraw/zinc/29/82/76/532298276.db2.gz	IMIQGZYAVHFCPM-UHFFFAOYSA-N	-1	1	384.797	2.498	20	5		GEBDMM
CCn1ccnc1[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000189207956	532351256	/nfs/dbraw/zinc/35/12/56/532351256.db2.gz	AXEXFEWQTHRKTJ-GWCFXTLKSA-N	-1	1	386.455	2.071	20	5		GEBDMM
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)o2)CC1	ZINC000425316582	532382473	/nfs/dbraw/zinc/38/24/73/532382473.db2.gz	DGEAROIZHYOQKM-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000425316582	532382485	/nfs/dbraw/zinc/38/24/85/532382485.db2.gz	DGEAROIZHYOQKM-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)c(Cl)cc1Cl	ZINC000295423812	532444885	/nfs/dbraw/zinc/44/48/85/532444885.db2.gz	XCGUIFYYUSTEAN-UHFFFAOYSA-N	-1	1	392.224	2.376	20	5		GEBDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000219870686	532482937	/nfs/dbraw/zinc/48/29/37/532482937.db2.gz	DLLKYCYFYMDFBL-SCZZXKLOSA-N	-1	1	379.232	2.203	20	5		GEBDMM
Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000264086632	532659834	/nfs/dbraw/zinc/65/98/34/532659834.db2.gz	PDHHIGKYIDCTSK-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000533175301	532663233	/nfs/dbraw/zinc/66/32/33/532663233.db2.gz	ONKNKJKXJDNONI-LBPRGKRZSA-N	-1	1	388.833	2.131	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O	ZINC000377301986	532651256	/nfs/dbraw/zinc/65/12/56/532651256.db2.gz	YQYQDEQFQRSQIW-FZMZJTMJSA-N	-1	1	384.797	2.021	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c([N+](=O)[O-])n1	ZINC000532854968	532657741	/nfs/dbraw/zinc/65/77/41/532657741.db2.gz	ZSPRFXLMEFWYCJ-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000532855429	532658360	/nfs/dbraw/zinc/65/83/60/532658360.db2.gz	QSDGOMZULSJZAE-ZJUUUORDSA-N	-1	1	384.380	2.458	20	5		GEBDMM
C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285495350	532684346	/nfs/dbraw/zinc/68/43/46/532684346.db2.gz	DWWFCICWZOWHNU-UWVGGRQHSA-N	-1	1	393.259	2.308	20	5		GEBDMM
O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1csc([N+](=O)[O-])c1	ZINC000537780724	532710053	/nfs/dbraw/zinc/71/00/53/532710053.db2.gz	PCTGYOBHSLCYBQ-UHFFFAOYSA-N	-1	1	383.407	2.055	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000286041872	532726176	/nfs/dbraw/zinc/72/61/76/532726176.db2.gz	QMXLWSKFICJUSR-HTQZYQBOSA-N	-1	1	397.222	2.200	20	5		GEBDMM
CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1	ZINC000267823246	532750307	/nfs/dbraw/zinc/75/03/07/532750307.db2.gz	SKIIHRJBQIIRRN-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
O=C(NCCOc1ccc(Br)cc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000302953605	532776575	/nfs/dbraw/zinc/77/65/75/532776575.db2.gz	DYMXKHZXHXPDFJ-UHFFFAOYSA-N	-1	1	382.170	2.267	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nncn1C	ZINC000289781513	532864856	/nfs/dbraw/zinc/86/48/56/532864856.db2.gz	IBWPMUIJJXILDI-LBPRGKRZSA-N	-1	1	391.812	2.191	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCSCCCO)c(Cl)cc1Cl	ZINC000290781127	532889441	/nfs/dbraw/zinc/88/94/41/532889441.db2.gz	PLRLFLPLKZSUHM-UHFFFAOYSA-N	-1	1	389.282	2.296	20	5		GEBDMM
CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O	ZINC000290757732	532888570	/nfs/dbraw/zinc/88/85/70/532888570.db2.gz	NFMGYNATSVBUNT-SNVBAGLBSA-N	-1	1	384.241	2.080	20	5		GEBDMM
O=C1OCCN1CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290869697	532891130	/nfs/dbraw/zinc/89/11/30/532891130.db2.gz	YAJKYEDTGNQHMH-UHFFFAOYSA-N	-1	1	398.224	2.022	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c(Cl)c1	ZINC000823645974	607328415	/nfs/dbraw/zinc/32/84/15/607328415.db2.gz	YLPLJBZWYFRHPB-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21	ZINC000737116942	598502914	/nfs/dbraw/zinc/50/29/14/598502914.db2.gz	UUOBFCVVZLKMHL-UHFFFAOYSA-N	-1	1	378.348	2.147	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000738359736	598694548	/nfs/dbraw/zinc/69/45/48/598694548.db2.gz	MYQYEMBEIWCNPL-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C([O-])c1cc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc([N+](=O)[O-])c1	ZINC000738672509	600552216	/nfs/dbraw/zinc/55/22/16/600552216.db2.gz	HNMHTMLVAOGEFA-UHFFFAOYSA-N	-1	1	384.392	2.082	20	5		GEBDMM
O=C([O-])NCCc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1	ZINC000740672845	601891120	/nfs/dbraw/zinc/89/11/20/601891120.db2.gz	YCEGQUCVPLLKSL-UHFFFAOYSA-N	-1	1	383.364	2.211	20	5		GEBDMM
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826498040	607575820	/nfs/dbraw/zinc/57/58/20/607575820.db2.gz	FEFLLGDYCVJJCE-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826498040	607575821	/nfs/dbraw/zinc/57/58/21/607575821.db2.gz	FEFLLGDYCVJJCE-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826498213	607575924	/nfs/dbraw/zinc/57/59/24/607575924.db2.gz	LNGHCKGYDVLYEN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825194413	607586999	/nfs/dbraw/zinc/58/69/99/607586999.db2.gz	QOSQZWBTRIKMMX-QWRGUYRKSA-N	-1	1	380.430	2.022	20	5		GEBDMM
Cc1cccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2C)c1-c1nn[n-]n1	ZINC000826304337	607592646	/nfs/dbraw/zinc/59/26/46/607592646.db2.gz	HVCLIKKGQOALCE-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CCN([C@@H]1CCCC[C@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825394385	607604790	/nfs/dbraw/zinc/60/47/90/607604790.db2.gz	BIYHHXSJEISXJY-VXGBXAGGSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CC(C)(CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824011554	603470430	/nfs/dbraw/zinc/47/04/30/603470430.db2.gz	SNPUGFKRWJPYBI-UHFFFAOYSA-N	-1	1	386.213	2.226	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1-c1nn[n-]n1	ZINC000826500129	607648039	/nfs/dbraw/zinc/64/80/39/607648039.db2.gz	MHAQJFDVVLROPP-NEPJUHHUSA-N	-1	1	392.441	2.022	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)c1-c1nn[n-]n1	ZINC000826500131	607648152	/nfs/dbraw/zinc/64/81/52/607648152.db2.gz	MHAQJFDVVLROPP-RYUDHWBXSA-N	-1	1	392.441	2.022	20	5		GEBDMM
C[C@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824877581	607662699	/nfs/dbraw/zinc/66/26/99/607662699.db2.gz	YRZYQHGBZHLRKI-WDEREUQCSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000824453082	605373651	/nfs/dbraw/zinc/37/36/51/605373651.db2.gz	HFGDXCQJOSPSSM-NEPJUHHUSA-N	-1	1	379.417	2.436	20	5		GEBDMM
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1ccc(-c2nn[n-]n2)s1	ZINC000823665607	606390114	/nfs/dbraw/zinc/39/01/14/606390114.db2.gz	SBVGSIOGMAKLBM-CLFYSBASSA-N	-1	1	393.388	2.491	20	5		GEBDMM
Cc1cccc(C)c1OC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000822299567	606645924	/nfs/dbraw/zinc/64/59/24/606645924.db2.gz	NGJHIJRIBLVRMK-AWEZNQCLSA-N	-1	1	384.396	2.244	20	5		GEBDMM
COc1ccc(OC2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1	ZINC000821841259	606699387	/nfs/dbraw/zinc/69/93/87/606699387.db2.gz	GJSZDINNALKLLM-UHFFFAOYSA-N	-1	1	397.395	2.226	20	5		GEBDMM
COc1ccc(OC2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1	ZINC000821841259	606699389	/nfs/dbraw/zinc/69/93/89/606699389.db2.gz	GJSZDINNALKLLM-UHFFFAOYSA-N	-1	1	397.395	2.226	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000823620915	606701908	/nfs/dbraw/zinc/70/19/08/606701908.db2.gz	SQEJLLBLPXHFDR-LLVKDONJSA-N	-1	1	384.375	2.247	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CCN(c2ccc(F)cc2)C1	ZINC000823620915	606701909	/nfs/dbraw/zinc/70/19/09/606701909.db2.gz	SQEJLLBLPXHFDR-LLVKDONJSA-N	-1	1	384.375	2.247	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCCc2ccccc2)CC1	ZINC000823620627	606703777	/nfs/dbraw/zinc/70/37/77/606703777.db2.gz	NJFHNAJXVYMXJK-UHFFFAOYSA-N	-1	1	395.423	2.398	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCCc2ccccc2)CC1	ZINC000823620627	606703779	/nfs/dbraw/zinc/70/37/79/606703779.db2.gz	NJFHNAJXVYMXJK-UHFFFAOYSA-N	-1	1	395.423	2.398	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000823620693	606710944	/nfs/dbraw/zinc/71/09/44/606710944.db2.gz	OMHVBJIKKHMHEE-LBPRGKRZSA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCN(c2cccc(F)c2)C1	ZINC000823620693	606710946	/nfs/dbraw/zinc/71/09/46/606710946.db2.gz	OMHVBJIKKHMHEE-LBPRGKRZSA-N	-1	1	384.375	2.390	20	5		GEBDMM
Cc1ccc(NCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000822254159	606712241	/nfs/dbraw/zinc/71/22/41/606712241.db2.gz	BLHOCZPFKYVTKS-UHFFFAOYSA-N	-1	1	399.371	2.301	20	5		GEBDMM
Cc1ccc(NCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000822254159	606712242	/nfs/dbraw/zinc/71/22/42/606712242.db2.gz	BLHOCZPFKYVTKS-UHFFFAOYSA-N	-1	1	399.371	2.301	20	5		GEBDMM
Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(O[C@H]2CCOC2)c1	ZINC000822238589	606719884	/nfs/dbraw/zinc/71/98/84/606719884.db2.gz	NEQFVAAJCBYYTQ-ZDUSSCGKSA-N	-1	1	397.395	2.258	20	5		GEBDMM
Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(O[C@H]2CCOC2)c1	ZINC000822238589	606719886	/nfs/dbraw/zinc/71/98/86/606719886.db2.gz	NEQFVAAJCBYYTQ-ZDUSSCGKSA-N	-1	1	397.395	2.258	20	5		GEBDMM
C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820825815	606736110	/nfs/dbraw/zinc/73/61/10/606736110.db2.gz	DZRTVFSAOADWFM-SNVBAGLBSA-N	-1	1	386.393	2.040	20	5		GEBDMM
CS(=O)(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000826223906	607866769	/nfs/dbraw/zinc/86/67/69/607866769.db2.gz	FMNOJQGFUROKTF-UHFFFAOYSA-N	-1	1	379.329	2.110	20	5		GEBDMM
CS(=O)(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000826223906	607866770	/nfs/dbraw/zinc/86/67/70/607866770.db2.gz	FMNOJQGFUROKTF-UHFFFAOYSA-N	-1	1	379.329	2.110	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1F	ZINC000826272712	607962719	/nfs/dbraw/zinc/96/27/19/607962719.db2.gz	XVXLDHRPYFFFNG-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826467930	608029361	/nfs/dbraw/zinc/02/93/61/608029361.db2.gz	RTPXQGGQORKBJD-UHFFFAOYSA-N	-1	1	393.319	2.182	20	5		GEBDMM
O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826467930	608029362	/nfs/dbraw/zinc/02/93/62/608029362.db2.gz	RTPXQGGQORKBJD-UHFFFAOYSA-N	-1	1	393.319	2.182	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000826497302	608099790	/nfs/dbraw/zinc/09/97/90/608099790.db2.gz	BRFWZCCPYJPPTO-NSHDSACASA-N	-1	1	379.739	2.108	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccc(Cl)c(F)c1	ZINC000826497302	608099791	/nfs/dbraw/zinc/09/97/91/608099791.db2.gz	BRFWZCCPYJPPTO-NSHDSACASA-N	-1	1	379.739	2.108	20	5		GEBDMM
C[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824897890	608564957	/nfs/dbraw/zinc/56/49/57/608564957.db2.gz	CKFOBEZTCKDMAC-IJLUTSLNSA-N	-1	1	392.441	2.117	20	5		GEBDMM
CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2-c2nnn[n-]2)cc1OC	ZINC000825068047	609375523	/nfs/dbraw/zinc/37/55/23/609375523.db2.gz	OUTHCSPWJXMOJX-NSHDSACASA-N	-1	1	387.400	2.453	20	5		GEBDMM
CC[C@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2-c2nn[n-]n2)cc1OC	ZINC000825068047	609375526	/nfs/dbraw/zinc/37/55/26/609375526.db2.gz	OUTHCSPWJXMOJX-NSHDSACASA-N	-1	1	387.400	2.453	20	5		GEBDMM
C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000510505653	650512809	/nfs/dbraw/zinc/51/28/09/650512809.db2.gz	IFTDLRIPKVGDDC-APPZFPTMSA-N	-1	1	381.273	2.387	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1	ZINC000510508989	650513141	/nfs/dbraw/zinc/51/31/41/650513141.db2.gz	SMDRUFGBXSQEGH-UHFFFAOYSA-N	-1	1	382.316	2.002	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccncc1	ZINC000475761022	650537236	/nfs/dbraw/zinc/53/72/36/650537236.db2.gz	PJYQMGJTNAYRLY-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000477227190	650572330	/nfs/dbraw/zinc/57/23/30/650572330.db2.gz	ZPLKDGFVXUDHCO-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000480749862	650630727	/nfs/dbraw/zinc/63/07/27/650630727.db2.gz	QBWQXZWROJPLNA-SNVBAGLBSA-N	-1	1	392.405	2.064	20	5		GEBDMM
O=C(NCc1cc2c(c(Br)c1)OCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000484257452	650686636	/nfs/dbraw/zinc/68/66/36/650686636.db2.gz	QWANBLFMSIMHEG-UHFFFAOYSA-N	-1	1	396.153	2.117	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)s1	ZINC000066001383	642894440	/nfs/dbraw/zinc/89/44/40/642894440.db2.gz	IHJZGDDQKQBSJE-UHFFFAOYSA-N	-1	1	378.435	2.380	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1	ZINC000066576460	642922368	/nfs/dbraw/zinc/92/23/68/642922368.db2.gz	JROVEEIOPBWYAI-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-]	ZINC000497764196	650840183	/nfs/dbraw/zinc/84/01/83/650840183.db2.gz	CXFAYBZNXFOVJO-UHFFFAOYSA-N	-1	1	376.312	2.499	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)s1	ZINC000188559145	645119148	/nfs/dbraw/zinc/11/91/48/645119148.db2.gz	PPNUEIZTQKILNP-KCJUWKMLSA-N	-1	1	388.389	2.418	20	5		GEBDMM
CN1CC=C(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000546884445	651013201	/nfs/dbraw/zinc/01/32/01/651013201.db2.gz	KXQKCGZWHSXJEX-UHFFFAOYSA-N	-1	1	380.253	2.442	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3F)n2)s1	ZINC000366129599	647694500	/nfs/dbraw/zinc/69/45/00/647694500.db2.gz	WHUBOYYZJPIPTM-UHFFFAOYSA-N	-1	1	384.370	2.324	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1	ZINC000416641542	648198687	/nfs/dbraw/zinc/19/86/87/648198687.db2.gz	QRKXTOTUTXGVFY-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000548237524	651070915	/nfs/dbraw/zinc/07/09/15/651070915.db2.gz	LKMSZAQLWXZXLQ-XPUUQOCRSA-N	-1	1	381.193	2.209	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(F)cc1Br	ZINC000548294651	651076154	/nfs/dbraw/zinc/07/61/54/651076154.db2.gz	FDEPCUAJMOVECZ-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000725827778	651480380	/nfs/dbraw/zinc/48/03/80/651480380.db2.gz	JXWVIOUJTBYCCH-UHFFFAOYSA-N	-1	1	379.822	2.051	20	5		GEBDMM
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1	ZINC000726795753	651502999	/nfs/dbraw/zinc/50/29/99/651502999.db2.gz	QYMRMJHDDFDUOC-ZCFIWIBFSA-N	-1	1	391.203	2.088	20	5		GEBDMM
CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000731781630	651634643	/nfs/dbraw/zinc/63/46/43/651634643.db2.gz	CDAJEGWMXUOSBM-UHFFFAOYSA-N	-1	1	382.467	2.209	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](OC)c2ccccc2Cl)c([N+](=O)[O-])n1	ZINC000611107299	651707607	/nfs/dbraw/zinc/70/76/07/651707607.db2.gz	GWRXUOJLGTYJSZ-GFCCVEGCSA-N	-1	1	388.833	2.131	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n[nH]1	ZINC000738382761	651894775	/nfs/dbraw/zinc/89/47/75/651894775.db2.gz	HHEKTMMFUAHKJQ-UHFFFAOYSA-N	-1	1	389.231	2.121	20	5		GEBDMM
CCCNc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000746206356	652097959	/nfs/dbraw/zinc/09/79/59/652097959.db2.gz	OEWCOJJFZZSSPM-UHFFFAOYSA-N	-1	1	381.439	2.317	20	5		GEBDMM
CC(C)Oc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000751420801	652346929	/nfs/dbraw/zinc/34/69/29/652346929.db2.gz	FSRKTGJOYGWDBZ-CYBMUJFWSA-N	-1	1	386.451	2.455	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1c(Cl)cccc1Cl	ZINC000751438117	652350124	/nfs/dbraw/zinc/35/01/24/652350124.db2.gz	QQZCCVIOVLVBQB-SNVBAGLBSA-N	-1	1	392.220	2.309	20	5		GEBDMM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl	ZINC000757471355	652516781	/nfs/dbraw/zinc/51/67/81/652516781.db2.gz	AXPKOTGHOSGLGM-UHFFFAOYSA-N	-1	1	385.785	2.418	20	5		GEBDMM
COC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745592	652521829	/nfs/dbraw/zinc/52/18/29/652521829.db2.gz	RQRLEDQVNOZBSJ-UHFFFAOYSA-N	-1	1	385.211	2.200	20	5		GEBDMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745892	652521895	/nfs/dbraw/zinc/52/18/95/652521895.db2.gz	UDJJLUOFCJIBLI-CPCISQLKSA-N	-1	1	399.238	2.182	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@@H]12	ZINC000762519778	652695630	/nfs/dbraw/zinc/69/56/30/652695630.db2.gz	CUSMLMCGTFRTIR-BREBYQMCSA-N	-1	1	378.472	2.392	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1	ZINC000599363753	652864117	/nfs/dbraw/zinc/86/41/17/652864117.db2.gz	DANRMSSYYNRUQS-JTQLQIEISA-N	-1	1	393.259	2.452	20	5		GEBDMM
O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000806638630	653171625	/nfs/dbraw/zinc/17/16/25/653171625.db2.gz	FQZDOICVDOCYKU-SECBINFHSA-N	-1	1	383.209	2.433	20	5		GEBDMM
CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000774797668	653258071	/nfs/dbraw/zinc/25/80/71/653258071.db2.gz	LQSSLXVSLGAURG-CABZTGNLSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000809390885	653266508	/nfs/dbraw/zinc/26/65/08/653266508.db2.gz	JRVCYEIXTHSNGE-MRVPVSSYSA-N	-1	1	379.225	2.465	20	5		GEBDMM
C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000809390890	653266813	/nfs/dbraw/zinc/26/68/13/653266813.db2.gz	JRVCYEIXTHSNGE-QMMMGPOBSA-N	-1	1	379.225	2.465	20	5		GEBDMM
CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809810244	653297117	/nfs/dbraw/zinc/29/71/17/653297117.db2.gz	QGINQNIUIJQINN-UHFFFAOYSA-N	-1	1	384.241	2.048	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOc2ncccc2F)cc1Cl	ZINC000809828469	653304370	/nfs/dbraw/zinc/30/43/70/653304370.db2.gz	LUBIPANDTOQBHQ-UHFFFAOYSA-N	-1	1	393.755	2.279	20	5		GEBDMM
COC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000775207019	653304883	/nfs/dbraw/zinc/30/48/83/653304883.db2.gz	CZPQCMLYKSHXOX-SNVBAGLBSA-N	-1	1	376.740	2.494	20	5		GEBDMM
CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809830755	653305615	/nfs/dbraw/zinc/30/56/15/653305615.db2.gz	CMBJHRFTOIQLJD-PWSUYJOCSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CCOC(=O)N1CCC[C@H]([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000776788620	653377220	/nfs/dbraw/zinc/37/72/20/653377220.db2.gz	CMFRRNIRGMIPLW-MNOVXSKESA-N	-1	1	391.471	2.192	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)CC(F)F	ZINC000859428923	653463298	/nfs/dbraw/zinc/46/32/98/653463298.db2.gz	QUPNROVTEIGGSC-UHFFFAOYSA-N	-1	1	392.211	2.377	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c1	ZINC000779912890	653616064	/nfs/dbraw/zinc/61/60/64/653616064.db2.gz	AGMYLHXYOLWBNN-SSDOTTSWSA-N	-1	1	376.740	2.148	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC=CO1	ZINC000780898668	653635184	/nfs/dbraw/zinc/63/51/84/653635184.db2.gz	IJMUFZRVQUAQQT-JTQLQIEISA-N	-1	1	377.216	2.328	20	5		GEBDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1	ZINC000814986421	653642075	/nfs/dbraw/zinc/64/20/75/653642075.db2.gz	OZFOXXSUZPTLCI-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)Cc1ccccc1	ZINC000815017792	653643929	/nfs/dbraw/zinc/64/39/29/653643929.db2.gz	VUEDJPUHGMCJJT-NSHDSACASA-N	-1	1	388.804	2.269	20	5		GEBDMM
CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815022402	653644992	/nfs/dbraw/zinc/64/49/92/653644992.db2.gz	XXSWDCCFVOIUNC-ZDUSSCGKSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOc1ncccc1F	ZINC000815026222	653645407	/nfs/dbraw/zinc/64/54/07/653645407.db2.gz	NUWHOECKIVNDOQ-UHFFFAOYSA-N	-1	1	393.755	2.279	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2cc(F)cc(Cl)c2)s1	ZINC000785395458	653708199	/nfs/dbraw/zinc/70/81/99/653708199.db2.gz	CKOULJNTCKPZKT-SNVBAGLBSA-N	-1	1	380.806	2.461	20	5		GEBDMM
Cn1cnc(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1	ZINC000841536582	653729566	/nfs/dbraw/zinc/72/95/66/653729566.db2.gz	GDXADKYUSFHDDP-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000841555398	653732454	/nfs/dbraw/zinc/73/24/54/653732454.db2.gz	DDLIRAXVRZQTST-SNVBAGLBSA-N	-1	1	380.781	2.007	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H](O)C(C)C	ZINC000841562225	653734481	/nfs/dbraw/zinc/73/44/81/653734481.db2.gz	WLBVGHUMOXRVJB-MFKMUULPSA-N	-1	1	395.275	2.431	20	5		GEBDMM
CSC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOCC1	ZINC000866879123	653841791	/nfs/dbraw/zinc/84/17/91/653841791.db2.gz	NSCNEVXSZXDBTK-UHFFFAOYSA-N	-1	1	378.447	2.233	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC1CC1	ZINC000845992512	653877978	/nfs/dbraw/zinc/87/79/78/653877978.db2.gz	QJYPVCPMBVXJQR-VIFPVBQESA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c(Cl)cc1Cl	ZINC000846026850	653882739	/nfs/dbraw/zinc/88/27/39/653882739.db2.gz	HFGPIPFJPRUSMT-ZDUSSCGKSA-N	-1	1	399.252	2.112	20	5		GEBDMM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1	ZINC000795832662	653969201	/nfs/dbraw/zinc/96/92/01/653969201.db2.gz	IQUJDQSSOPPXDC-LBPRGKRZSA-N	-1	1	397.222	2.201	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])[nH]n1	ZINC000795843041	653969618	/nfs/dbraw/zinc/96/96/18/653969618.db2.gz	LNNKKLRBERLKCY-UHFFFAOYSA-N	-1	1	393.194	2.006	20	5		GEBDMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795855351	653971631	/nfs/dbraw/zinc/97/16/31/653971631.db2.gz	JKHOVRWKKZBPKD-JGVFFNPUSA-N	-1	1	399.238	2.182	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795861409	653972329	/nfs/dbraw/zinc/97/23/29/653972329.db2.gz	LINSZUIJUQIXHD-SNVBAGLBSA-N	-1	1	399.238	2.446	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2	ZINC000867886846	654003093	/nfs/dbraw/zinc/00/30/93/654003093.db2.gz	GNSRBTLHLXBGLX-OLZOCXBDSA-N	-1	1	391.243	2.347	20	5		GEBDMM
CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CO1	ZINC000849412674	654026971	/nfs/dbraw/zinc/02/69/71/654026971.db2.gz	VKLOJFKDSKVCFN-ZETCQYMHSA-N	-1	1	397.222	2.342	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1	ZINC000849419843	654029366	/nfs/dbraw/zinc/02/93/66/654029366.db2.gz	QAEOKAOSWVPCPU-GFCCVEGCSA-N	-1	1	396.824	2.107	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC(O)(C2CC2)C2CC2)cc1Cl	ZINC000849469029	654043707	/nfs/dbraw/zinc/04/37/07/654043707.db2.gz	MPJFKBAOHXHAOG-UHFFFAOYSA-N	-1	1	378.809	2.217	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c(Cl)cc1Cl	ZINC000849471063	654044318	/nfs/dbraw/zinc/04/43/18/654044318.db2.gz	KGHWSTWDJFLKKD-NWDGAFQWSA-N	-1	1	381.237	2.483	20	5		GEBDMM
COc1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000798226062	654055285	/nfs/dbraw/zinc/05/52/85/654055285.db2.gz	XIVUDXBPIQYVND-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
CC(C)N1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000830343998	654111867	/nfs/dbraw/zinc/11/18/67/654111867.db2.gz	KJDNGDFZQQRNHZ-QMMMGPOBSA-N	-1	1	396.252	2.189	20	5		GEBDMM
NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830787167	654142143	/nfs/dbraw/zinc/14/21/43/654142143.db2.gz	QZMOXFPWHHFKOE-APPZFPTMSA-N	-1	1	396.252	2.224	20	5		GEBDMM
CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000831877146	654215243	/nfs/dbraw/zinc/21/52/43/654215243.db2.gz	BRMBLTKSWJGKRE-NSHDSACASA-N	-1	1	397.222	2.342	20	5		GEBDMM
CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000805109654	654350542	/nfs/dbraw/zinc/35/05/42/654350542.db2.gz	GZQPRCGTEHYBCR-QMMMGPOBSA-N	-1	1	399.238	2.039	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1	ZINC000152275428	531540936	/nfs/dbraw/zinc/54/09/36/531540936.db2.gz	HYPJIGGPDFGYOC-JGZJWPJOSA-N	-1	1	393.259	2.187	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000152395692	531548359	/nfs/dbraw/zinc/54/83/59/531548359.db2.gz	WRCGWYXZHMETQY-SNVBAGLBSA-N	-1	1	379.232	2.061	20	5		GEBDMM
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[N@@H+](C)C1CC1	ZINC000163275815	531854870	/nfs/dbraw/zinc/85/48/70/531854870.db2.gz	OUEZKFWSZIFKDT-SECBINFHSA-N	-1	1	381.376	2.375	20	5		GEBDMM
O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000068940327	531906782	/nfs/dbraw/zinc/90/67/82/531906782.db2.gz	LWLWVBIYBFRYMI-UHFFFAOYSA-N	-1	1	376.312	2.369	20	5		GEBDMM
O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1	ZINC000068940118	531907690	/nfs/dbraw/zinc/90/76/90/531907690.db2.gz	FRMYBSXXSFQEMY-UHFFFAOYSA-N	-1	1	376.312	2.369	20	5		GEBDMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120832126	531998856	/nfs/dbraw/zinc/99/88/56/531998856.db2.gz	MNEZTGLFEVPWDC-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1	ZINC000175602526	532109035	/nfs/dbraw/zinc/10/90/35/532109035.db2.gz	MGOWTEFROGPQRN-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
Cn1c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2c1cccc2F	ZINC000128212405	532162337	/nfs/dbraw/zinc/16/23/37/532162337.db2.gz	WELUJAUCSWJOBN-UHFFFAOYSA-N	-1	1	384.414	2.203	20	5		GEBDMM
CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178561629	532205367	/nfs/dbraw/zinc/20/53/67/532205367.db2.gz	FYAQUXQDUDCHQK-LBPRGKRZSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000133431275	532234690	/nfs/dbraw/zinc/23/46/90/532234690.db2.gz	RARBGAKUHTVXQS-UHFFFAOYSA-N	-1	1	379.232	2.251	20	5		GEBDMM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1	ZINC000425203199	532373550	/nfs/dbraw/zinc/37/35/50/532373550.db2.gz	LQMJJGNGQVDRHP-SECBINFHSA-N	-1	1	385.423	2.186	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589922936	532364329	/nfs/dbraw/zinc/36/43/29/532364329.db2.gz	RFMIVZJTLMFVRG-HQJQHLMTSA-N	-1	1	388.751	2.372	20	5		GEBDMM
O=C(NCc1cc(Br)cc2c1OCC2)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000463172023	532368503	/nfs/dbraw/zinc/36/85/03/532368503.db2.gz	OUOMENLKBKYWQD-UHFFFAOYSA-N	-1	1	394.181	2.323	20	5		GEBDMM
C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000463230695	532369812	/nfs/dbraw/zinc/36/98/12/532369812.db2.gz	QGSVIWRGUMRIFH-MZBZXASESA-N	-1	1	376.818	2.424	20	5		GEBDMM
C[N@@H+]1CC=C(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000295178698	532414550	/nfs/dbraw/zinc/41/45/50/532414550.db2.gz	PKKQZJBWAOGDFS-UHFFFAOYSA-N	-1	1	380.253	2.442	20	5		GEBDMM
COc1cc(Br)ccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000429475068	532478079	/nfs/dbraw/zinc/47/80/79/532478079.db2.gz	LRPZELZFRHNPFK-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)C(F)F	ZINC000295817941	532479510	/nfs/dbraw/zinc/47/95/10/532479510.db2.gz	UOBQEDGQMSOTPT-PSASIEDQSA-N	-1	1	392.302	2.297	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](O)C(F)F	ZINC000295817942	532479558	/nfs/dbraw/zinc/47/95/58/532479558.db2.gz	UOBQEDGQMSOTPT-SCZZXKLOSA-N	-1	1	392.302	2.297	20	5		GEBDMM
CC(C)[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000295887203	532485382	/nfs/dbraw/zinc/48/53/82/532485382.db2.gz	GKMHXYMZJYAWAC-LBPRGKRZSA-N	-1	1	384.241	2.080	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccsc1	ZINC000468753520	532474491	/nfs/dbraw/zinc/47/44/91/532474491.db2.gz	AFUHYADOIDYBCR-AWEZNQCLSA-N	-1	1	384.435	2.033	20	5		GEBDMM
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000595356905	532559312	/nfs/dbraw/zinc/55/93/12/532559312.db2.gz	VMIZLSSRZAOXFB-SNVBAGLBSA-N	-1	1	392.275	2.120	20	5		GEBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(n2cc(Br)cn2)CC1	ZINC000375728699	532579609	/nfs/dbraw/zinc/57/96/09/532579609.db2.gz	BIENXSFEEFQCRF-UHFFFAOYSA-N	-1	1	396.201	2.132	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)c(C(F)(F)F)c1	ZINC000474395775	532616667	/nfs/dbraw/zinc/61/66/67/532616667.db2.gz	NYZCAUXWKQQTFH-UHFFFAOYSA-N	-1	1	382.238	2.428	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000263710699	532636238	/nfs/dbraw/zinc/63/62/38/532636238.db2.gz	POBUVIZCZMWMIG-GFCCVEGCSA-N	-1	1	378.834	2.112	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O	ZINC000377301985	532651435	/nfs/dbraw/zinc/65/14/35/532651435.db2.gz	YQYQDEQFQRSQIW-BXUZGUMPSA-N	-1	1	384.797	2.021	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(Br)s2)c([N+](=O)[O-])n1	ZINC000532854439	532658014	/nfs/dbraw/zinc/65/80/14/532658014.db2.gz	YALQQTMOMHDTGJ-UHFFFAOYSA-N	-1	1	395.260	2.114	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000487335377	532694349	/nfs/dbraw/zinc/69/43/49/532694349.db2.gz	HHKSWQHPTHSMBK-LBPRGKRZSA-N	-1	1	388.833	2.131	20	5		GEBDMM
COC(=O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000494309326	532716901	/nfs/dbraw/zinc/71/69/01/532716901.db2.gz	IRXOFEBMQILOLA-LLVKDONJSA-N	-1	1	376.456	2.447	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000286041881	532725549	/nfs/dbraw/zinc/72/55/49/532725549.db2.gz	QMXLWSKFICJUSR-JGVFFNPUSA-N	-1	1	397.222	2.200	20	5		GEBDMM
CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443323596	532745979	/nfs/dbraw/zinc/74/59/79/532745979.db2.gz	VWELGRDCNOILTE-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCO1	ZINC000286483923	532750511	/nfs/dbraw/zinc/75/05/11/532750511.db2.gz	QDZGMLRGGZDQCX-HTQZYQBOSA-N	-1	1	397.222	2.342	20	5		GEBDMM
Cc1c(Br)cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-]	ZINC000511865187	532776011	/nfs/dbraw/zinc/77/60/11/532776011.db2.gz	NHVXCWICUROIOY-UHFFFAOYSA-N	-1	1	395.217	2.378	20	5		GEBDMM
COc1cc(CN2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000820763898	598129389	/nfs/dbraw/zinc/12/93/89/598129389.db2.gz	KZXQJEAORQGLHY-SECBINFHSA-N	-1	1	378.303	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)cc1	ZINC000823639993	607345796	/nfs/dbraw/zinc/34/57/96/607345796.db2.gz	OLGGJBAQXNXRQO-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000736688141	598593325	/nfs/dbraw/zinc/59/33/25/598593325.db2.gz	BFQWQXCLCVKOCL-UHFFFAOYSA-N	-1	1	392.372	2.277	20	5		GEBDMM
COc1ccc(OCCOC(=O)c2sccc2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000821846242	599658989	/nfs/dbraw/zinc/65/89/89/599658989.db2.gz	OMYMTPAFPCZALY-UHFFFAOYSA-N	-1	1	391.365	2.081	20	5		GEBDMM
O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(F)c1	ZINC000484556311	600234941	/nfs/dbraw/zinc/23/49/41/600234941.db2.gz	SBTGAIKDPHTZRG-UHFFFAOYSA-N	-1	1	398.324	2.004	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000831435355	600688484	/nfs/dbraw/zinc/68/84/84/600688484.db2.gz	VPGVIIQGWPNQCU-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
O=C([O-])N1CCC(N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1	ZINC000740501107	601933228	/nfs/dbraw/zinc/93/32/28/601933228.db2.gz	UUKJPNMMLVWNND-UHFFFAOYSA-N	-1	1	388.424	2.091	20	5		GEBDMM
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826500595	607572652	/nfs/dbraw/zinc/57/26/52/607572652.db2.gz	DLVWXJBOXPFHPV-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826305844	607577580	/nfs/dbraw/zinc/57/75/80/607577580.db2.gz	KAGSCHARJZWXLM-NSHDSACASA-N	-1	1	388.409	2.123	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1Cl	ZINC000826499548	607599836	/nfs/dbraw/zinc/59/98/36/607599836.db2.gz	MUYUIHNQWMVQKZ-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826498289	607606015	/nfs/dbraw/zinc/60/60/15/607606015.db2.gz	ONGYMWJIJHPWHH-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826498289	607606017	/nfs/dbraw/zinc/60/60/17/607606017.db2.gz	ONGYMWJIJHPWHH-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1-c1nn[n-]n1	ZINC000826500260	607650219	/nfs/dbraw/zinc/65/02/19/607650219.db2.gz	QIPLCNDRRHYVGJ-QJPTWQEYSA-N	-1	1	392.441	2.022	20	5		GEBDMM
Cc1nn(CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870910	603908839	/nfs/dbraw/zinc/90/88/39/603908839.db2.gz	OLCSGMQZAQNQQV-CZUORRHYSA-N	-1	1	388.428	2.460	20	5		GEBDMM
CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC000833506876	605327255	/nfs/dbraw/zinc/32/72/55/605327255.db2.gz	SEZNVDPROWULRZ-UHFFFAOYSA-N	-1	1	381.366	2.276	20	5		GEBDMM
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833789014	605455133	/nfs/dbraw/zinc/45/51/33/605455133.db2.gz	FUHMMXZJWHAKAN-GUYJKWIASA-N	-1	1	376.413	2.290	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024586	605515174	/nfs/dbraw/zinc/51/51/74/605515174.db2.gz	FCJLDABXQLQTOG-RDJZCZTQSA-N	-1	1	390.440	2.065	20	5		GEBDMM
CN(Cc1ccc(Br)o1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821609988	606697920	/nfs/dbraw/zinc/69/79/20/606697920.db2.gz	UVUFUMXZRZOYFA-UHFFFAOYSA-N	-1	1	380.162	2.162	20	5		GEBDMM
CN(Cc1ccc(Br)o1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821609988	606697922	/nfs/dbraw/zinc/69/79/22/606697922.db2.gz	UVUFUMXZRZOYFA-UHFFFAOYSA-N	-1	1	380.162	2.162	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000823625019	606700698	/nfs/dbraw/zinc/70/06/98/606700698.db2.gz	NZQOCMDIFBCEGX-ZDUSSCGKSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000823625019	606700699	/nfs/dbraw/zinc/70/06/99/606700699.db2.gz	NZQOCMDIFBCEGX-ZDUSSCGKSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OC[C@H]2CCCO2)cc1	ZINC000823625018	606700797	/nfs/dbraw/zinc/70/07/97/606700797.db2.gz	NZQOCMDIFBCEGX-CYBMUJFWSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC[C@H]2CCCO2)cc1	ZINC000823625018	606700799	/nfs/dbraw/zinc/70/07/99/606700799.db2.gz	NZQOCMDIFBCEGX-CYBMUJFWSA-N	-1	1	383.368	2.471	20	5		GEBDMM
COc1cccc(N2CCC[C@@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1	ZINC000821871621	606711203	/nfs/dbraw/zinc/71/12/03/606711203.db2.gz	BMWVLTZGPAIUPE-GFCCVEGCSA-N	-1	1	396.411	2.259	20	5		GEBDMM
COc1cccc(N2CCC[C@@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1	ZINC000821871621	606711204	/nfs/dbraw/zinc/71/12/04/606711204.db2.gz	BMWVLTZGPAIUPE-GFCCVEGCSA-N	-1	1	396.411	2.259	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nnc(-c2ccccc2)s1	ZINC000823625606	606720389	/nfs/dbraw/zinc/72/03/89/606720389.db2.gz	ZPODHJSTGQAACP-UHFFFAOYSA-N	-1	1	381.381	2.301	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nnc(-c2ccccc2)s1	ZINC000823625606	606720391	/nfs/dbraw/zinc/72/03/91/606720391.db2.gz	ZPODHJSTGQAACP-UHFFFAOYSA-N	-1	1	381.381	2.301	20	5		GEBDMM
CC(C)CN(CC(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820087695	606732435	/nfs/dbraw/zinc/73/24/35/606732435.db2.gz	WYEUVFHXHRUWQE-UHFFFAOYSA-N	-1	1	382.446	2.078	20	5		GEBDMM
CC(C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000820068469	606737248	/nfs/dbraw/zinc/73/72/48/606737248.db2.gz	QKFBVHSIMPBHRP-UHFFFAOYSA-N	-1	1	394.457	2.222	20	5		GEBDMM
CCN(c1cccc(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821239639	607154825	/nfs/dbraw/zinc/15/48/25/607154825.db2.gz	BUEHMKNHJMPMPP-UHFFFAOYSA-N	-1	1	392.372	2.129	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c1-c1nn[n-]n1	ZINC000823647991	607155985	/nfs/dbraw/zinc/15/59/85/607155985.db2.gz	RMACAYCXMZSYTQ-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
CN(Cc1ccc(OC(F)F)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821611197	607162823	/nfs/dbraw/zinc/16/28/23/607162823.db2.gz	VIXNPFGRIIUPHC-UHFFFAOYSA-N	-1	1	377.311	2.408	20	5		GEBDMM
CN(Cc1ccc(OC(F)F)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821611197	607162824	/nfs/dbraw/zinc/16/28/24/607162824.db2.gz	VIXNPFGRIIUPHC-UHFFFAOYSA-N	-1	1	377.311	2.408	20	5		GEBDMM
O=C(c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)N1CCCC1	ZINC000823488327	607165946	/nfs/dbraw/zinc/16/59/46/607165946.db2.gz	LOFBZSIOBZSOHW-UHFFFAOYSA-N	-1	1	394.395	2.018	20	5		GEBDMM
O=C(c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)N1CCCC1	ZINC000823488327	607165947	/nfs/dbraw/zinc/16/59/47/607165947.db2.gz	LOFBZSIOBZSOHW-UHFFFAOYSA-N	-1	1	394.395	2.018	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cnn(-c2ccccc2)c1	ZINC000823625131	607166581	/nfs/dbraw/zinc/16/65/81/607166581.db2.gz	PYZUQRLKTRBODM-UHFFFAOYSA-N	-1	1	377.368	2.010	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cnn(-c2ccccc2)c1	ZINC000823625131	607166582	/nfs/dbraw/zinc/16/65/82/607166582.db2.gz	PYZUQRLKTRBODM-UHFFFAOYSA-N	-1	1	377.368	2.010	20	5		GEBDMM
Cc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000826292836	607866929	/nfs/dbraw/zinc/86/69/29/607866929.db2.gz	NZCGIURCFUNXAK-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CC1(C)CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000824802723	607973979	/nfs/dbraw/zinc/97/39/79/607973979.db2.gz	PBICHHQTQNZNSV-UHFFFAOYSA-N	-1	1	394.457	2.270	20	5		GEBDMM
COc1ccc([C@@H](OC)[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826189672	608239400	/nfs/dbraw/zinc/23/94/00/608239400.db2.gz	BCCJESKCNSIYNT-BMIGLBTASA-N	-1	1	385.384	2.367	20	5		GEBDMM
COc1ccc([C@@H](OC)[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826189672	608239402	/nfs/dbraw/zinc/23/94/02/608239402.db2.gz	BCCJESKCNSIYNT-BMIGLBTASA-N	-1	1	385.384	2.367	20	5		GEBDMM
CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000462143216	650470950	/nfs/dbraw/zinc/47/09/50/650470950.db2.gz	WDZSIUHCSNZPBU-ZDUSSCGKSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040779727	642524153	/nfs/dbraw/zinc/52/41/53/642524153.db2.gz	ZFIUERHVFOQVRQ-JTQLQIEISA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1	ZINC000534408918	650774478	/nfs/dbraw/zinc/77/44/78/650774478.db2.gz	FMCWOJHJLOQUQI-CYBMUJFWSA-N	-1	1	384.841	2.378	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)(F)F)s1	ZINC000066000157	642893915	/nfs/dbraw/zinc/89/39/15/642893915.db2.gz	ZFSQFFLWYXKTFG-UHFFFAOYSA-N	-1	1	397.356	2.471	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000537356078	650814044	/nfs/dbraw/zinc/81/40/44/650814044.db2.gz	DTPBQUYXCLAAHJ-LBPRGKRZSA-N	-1	1	382.829	2.200	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1	ZINC000538119257	650830440	/nfs/dbraw/zinc/83/04/40/650830440.db2.gz	BYNLIEIPKGONGD-TZMCWYRMSA-N	-1	1	383.813	2.452	20	5		GEBDMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119385801	643550417	/nfs/dbraw/zinc/55/04/17/643550417.db2.gz	FHLJWSVLOWOIAJ-KCJUWKMLSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CN(CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F	ZINC000119557960	643557249	/nfs/dbraw/zinc/55/72/49/643557249.db2.gz	MHVPUGQQVDTQCB-UHFFFAOYSA-N	-1	1	389.783	2.411	20	5		GEBDMM
Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)cc1[N+](=O)[O-]	ZINC000122914348	643662589	/nfs/dbraw/zinc/66/25/89/643662589.db2.gz	GBBUGWRUYZMREI-UHFFFAOYSA-N	-1	1	375.765	2.195	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1	ZINC000130778693	643850605	/nfs/dbraw/zinc/85/06/05/643850605.db2.gz	BWGGCPLVRZTDMA-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1	ZINC000130778693	643850607	/nfs/dbraw/zinc/85/06/07/643850607.db2.gz	BWGGCPLVRZTDMA-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000177386047	644415568	/nfs/dbraw/zinc/41/55/68/644415568.db2.gz	WMSTUYAFGVKPCH-SECBINFHSA-N	-1	1	381.801	2.330	20	5		GEBDMM
C[C@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCOC1	ZINC000221236597	645385987	/nfs/dbraw/zinc/38/59/87/645385987.db2.gz	UERQEWBQXLVXGR-LBPRGKRZSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443318004	648872288	/nfs/dbraw/zinc/87/22/88/648872288.db2.gz	SWTOWTVMBFINHN-LBPRGKRZSA-N	-1	1	381.248	2.187	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)cc1[N+](=O)[O-]	ZINC000551775882	651132349	/nfs/dbraw/zinc/13/23/49/651132349.db2.gz	OEGHQVYYZBSUTM-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2Cl)s1	ZINC000561573498	651481109	/nfs/dbraw/zinc/48/11/09/651481109.db2.gz	ASMOANCYDADQHK-VIFPVBQESA-N	-1	1	376.843	2.364	20	5		GEBDMM
COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000730267002	651593278	/nfs/dbraw/zinc/59/32/78/651593278.db2.gz	SRUWRWROPJAGDP-UHFFFAOYSA-N	-1	1	376.818	2.258	20	5		GEBDMM
CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000614856613	651841348	/nfs/dbraw/zinc/84/13/48/651841348.db2.gz	GGMFHHNIXYSJEJ-UHFFFAOYSA-N	-1	1	384.332	2.375	20	5		GEBDMM
COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751224985	652332694	/nfs/dbraw/zinc/33/26/94/652332694.db2.gz	WGUOSRKXPSNMEP-ZDUSSCGKSA-N	-1	1	386.813	2.269	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl	ZINC000751480622	652355814	/nfs/dbraw/zinc/35/58/14/652355814.db2.gz	ZPEWTQOSEZJRRW-SDBXPKJASA-N	-1	1	389.792	2.183	20	5		GEBDMM
C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590175554	652575955	/nfs/dbraw/zinc/57/59/55/652575955.db2.gz	DCCOTQPIRTZLBI-RNCFNFMXSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CCOCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590162454	652576011	/nfs/dbraw/zinc/57/60/11/652576011.db2.gz	IMUSIVWIZFCIJA-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000594807734	652684759	/nfs/dbraw/zinc/68/47/59/652684759.db2.gz	GPHIIWUHIHIAED-NQBHXWOUSA-N	-1	1	392.861	2.093	20	5		GEBDMM
CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC000595361560	652715026	/nfs/dbraw/zinc/71/50/26/652715026.db2.gz	XOSVVALLMJSXOM-JTQLQIEISA-N	-1	1	389.861	2.174	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CCCCC1	ZINC000809808579	653296565	/nfs/dbraw/zinc/29/65/65/653296565.db2.gz	ZKJLBOHRLMFLOJ-UHFFFAOYSA-N	-1	1	396.252	2.192	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nc(C3CC3)no2)cc1Cl	ZINC000809809389	653297021	/nfs/dbraw/zinc/29/70/21/653297021.db2.gz	OTUOSBPAKVDQIW-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000809819204	653300913	/nfs/dbraw/zinc/30/09/13/653300913.db2.gz	WZTAGZPCVLBXPE-SFYZADRCSA-N	-1	1	396.252	2.224	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)cc1Cl	ZINC000809819819	653300944	/nfs/dbraw/zinc/30/09/44/653300944.db2.gz	ZCZCOCNENYXWFH-UHFFFAOYSA-N	-1	1	392.767	2.497	20	5		GEBDMM
COCCOC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809821627	653301961	/nfs/dbraw/zinc/30/19/61/653301961.db2.gz	PKQMCHWAJLJUBE-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1=O	ZINC000809824903	653302887	/nfs/dbraw/zinc/30/28/87/653302887.db2.gz	WVGJWCVGFIMTPI-QMMMGPOBSA-N	-1	1	393.824	2.065	20	5		GEBDMM
CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809826480	653303525	/nfs/dbraw/zinc/30/35/25/653303525.db2.gz	HHKPAZHVUXFDQD-ZETCQYMHSA-N	-1	1	385.225	2.379	20	5		GEBDMM
CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809828914	653304594	/nfs/dbraw/zinc/30/45/94/653304594.db2.gz	VFGTUMGLDKHZFZ-MRVPVSSYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
COCC[C@@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1	ZINC000809840486	653308051	/nfs/dbraw/zinc/30/80/51/653308051.db2.gz	QVLOAPUVOSFLFT-CYBMUJFWSA-N	-1	1	399.252	2.376	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)nc1	ZINC000809840818	653308462	/nfs/dbraw/zinc/30/84/62/653308462.db2.gz	SARFWVBSVXYTBO-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000859286226	653433156	/nfs/dbraw/zinc/43/31/56/653433156.db2.gz	LCBRQOFHCLTWDF-QMMMGPOBSA-N	-1	1	395.220	2.442	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21	ZINC000815019873	653644509	/nfs/dbraw/zinc/64/45/09/653644509.db2.gz	PLPHSIKPGVTJKS-YLJLNXRRSA-N	-1	1	378.809	2.479	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](O)C(C)C	ZINC000841562226	653734514	/nfs/dbraw/zinc/73/45/14/653734514.db2.gz	WLBVGHUMOXRVJB-ZWNOBZJWSA-N	-1	1	395.275	2.431	20	5		GEBDMM
CN1CC[C@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000819893656	653760609	/nfs/dbraw/zinc/76/06/09/653760609.db2.gz	LEJUUDBYTPDNFZ-QMMMGPOBSA-N	-1	1	396.252	2.048	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CSC1	ZINC000882404770	653780367	/nfs/dbraw/zinc/78/03/67/653780367.db2.gz	FEIKPQXJSPBYID-UHFFFAOYSA-N	-1	1	385.236	2.138	20	5		GEBDMM
CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000882590589	653790094	/nfs/dbraw/zinc/79/00/94/653790094.db2.gz	WEGNVASVXCTEND-ZKCHVHJHSA-N	-1	1	397.222	2.200	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC1CC1	ZINC000845992510	653877942	/nfs/dbraw/zinc/87/79/42/653877942.db2.gz	QJYPVCPMBVXJQR-SECBINFHSA-N	-1	1	394.808	2.255	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000795203786	653938893	/nfs/dbraw/zinc/93/88/93/653938893.db2.gz	XJLDRZICQRMBQM-SECBINFHSA-N	-1	1	393.849	2.440	20	5		GEBDMM
CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795815088	653968046	/nfs/dbraw/zinc/96/80/46/653968046.db2.gz	KSJBJSOSSLOFBT-ZETCQYMHSA-N	-1	1	385.211	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O	ZINC000795852443	653970785	/nfs/dbraw/zinc/97/07/85/653970785.db2.gz	ZGQYQTAPXVCJKM-MWLCHTKSSA-N	-1	1	397.222	2.078	20	5		GEBDMM
CSc1nnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1	ZINC000848592283	653988145	/nfs/dbraw/zinc/98/81/45/653988145.db2.gz	HQUYCBFPAFUDCM-UHFFFAOYSA-N	-1	1	376.366	2.456	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1	ZINC000849415180	654027544	/nfs/dbraw/zinc/02/75/44/654027544.db2.gz	YCCHHNNIYPGZKB-LDYMZIIASA-N	-1	1	399.252	2.231	20	5		GEBDMM
COC[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC	ZINC000849415751	654027779	/nfs/dbraw/zinc/02/77/79/654027779.db2.gz	UTHBSCUOZZNOJG-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ncnn21	ZINC000849424694	654031777	/nfs/dbraw/zinc/03/17/77/654031777.db2.gz	YEBPPYJNMPTSGA-RCOVLWMOSA-N	-1	1	392.224	2.477	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000799123849	654085158	/nfs/dbraw/zinc/08/51/58/654085158.db2.gz	BGPHWJHBLTVJON-UHFFFAOYSA-N	-1	1	391.178	2.197	20	5		GEBDMM
CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830995774	654154909	/nfs/dbraw/zinc/15/49/09/654154909.db2.gz	KYCOAMAFZJDLMD-VXNVDRBHSA-N	-1	1	396.252	2.095	20	5		GEBDMM
Cn1ccc(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1	ZINC000831106518	654164510	/nfs/dbraw/zinc/16/45/10/654164510.db2.gz	ZZTUYAWGMQVVIH-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000832067506	654230931	/nfs/dbraw/zinc/23/09/31/654230931.db2.gz	TVSHXKPPFHAGPT-LDYMZIIASA-N	-1	1	399.252	2.231	20	5		GEBDMM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832450515	654267030	/nfs/dbraw/zinc/26/70/30/654267030.db2.gz	LGQCPRQZMDVZSM-MNOVXSKESA-N	-1	1	376.818	2.258	20	5		GEBDMM
CCc1nc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)co1	ZINC000832472875	654268662	/nfs/dbraw/zinc/26/86/62/654268662.db2.gz	FFUZCSIEBDVOQP-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])COC1	ZINC000832488294	654269693	/nfs/dbraw/zinc/26/96/93/654269693.db2.gz	JCVUCNVTBVSFNM-UHFFFAOYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]CC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])s1	ZINC000921631058	654295538	/nfs/dbraw/zinc/29/55/38/654295538.db2.gz	ISEGEFSBUVTCLX-VIFPVBQESA-N	-1	1	375.394	2.126	20	5		GEBDMM
O=[N+]([O-])c1cnc([N-]c2ccn(CCN3CCOCC3)n2)c(Br)c1	ZINC000485191535	531430663	/nfs/dbraw/zinc/43/06/63/531430663.db2.gz	GGSYSQDJFNKQPS-UHFFFAOYSA-N	-1	1	397.233	2.025	20	5		GEBDMM
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000014867737	531565656	/nfs/dbraw/zinc/56/56/56/531565656.db2.gz	HKFCGAIJWPSBHE-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(O)CCCCC1	ZINC000159809638	531795848	/nfs/dbraw/zinc/79/58/48/531795848.db2.gz	ALOYWNFQDJJGKH-UHFFFAOYSA-N	-1	1	393.259	2.331	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cn(-c2ccccc2)nn1	ZINC000129712593	532182723	/nfs/dbraw/zinc/18/27/23/532182723.db2.gz	ZYHOCAHFYGEZTB-SNVBAGLBSA-N	-1	1	379.423	2.277	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c1Cl	ZINC000295258780	532427505	/nfs/dbraw/zinc/42/75/05/532427505.db2.gz	RCTWPVIGPYWJGA-LLVKDONJSA-N	-1	1	387.266	2.048	20	5		GEBDMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000466517398	532429758	/nfs/dbraw/zinc/42/97/58/532429758.db2.gz	VTVWHUZJHNFOAG-UHFFFAOYSA-N	-1	1	388.785	2.496	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOCC(F)(F)F	ZINC000517915692	532430639	/nfs/dbraw/zinc/43/06/39/532430639.db2.gz	NSJCTWNOQHVDEB-UHFFFAOYSA-N	-1	1	376.740	2.496	20	5		GEBDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000219870765	532483219	/nfs/dbraw/zinc/48/32/19/532483219.db2.gz	DLLKYCYFYMDFBL-PSASIEDQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCSC1	ZINC000228562406	532488921	/nfs/dbraw/zinc/48/89/21/532488921.db2.gz	FRHZOFFXHMLOIM-MRVPVSSYSA-N	-1	1	381.273	2.389	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)N1CCCC1	ZINC000296187852	532503981	/nfs/dbraw/zinc/50/39/81/532503981.db2.gz	VLVKGQBYQWGPDU-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1n[nH]cc1Br	ZINC000523410063	532525709	/nfs/dbraw/zinc/52/57/09/532525709.db2.gz	AEVYUVLSZJJVTE-UHFFFAOYSA-N	-1	1	395.622	2.212	20	5		GEBDMM
O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000433158807	532557800	/nfs/dbraw/zinc/55/78/00/532557800.db2.gz	QQFMTQMJCHGGPP-UHFFFAOYSA-N	-1	1	381.190	2.070	20	5		GEBDMM
CCCCc1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1	ZINC000298198833	532633727	/nfs/dbraw/zinc/63/37/27/532633727.db2.gz	SXRHQWNZKDJMSK-UHFFFAOYSA-N	-1	1	384.439	2.445	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)c(C(F)(F)F)c1	ZINC000535248447	532679048	/nfs/dbraw/zinc/67/90/48/532679048.db2.gz	VZBLSAXUVNIZSB-ZCFIWIBFSA-N	-1	1	396.265	2.205	20	5		GEBDMM
CC(C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nccs1	ZINC000265284267	532692546	/nfs/dbraw/zinc/69/25/46/532692546.db2.gz	YCOKIDOOJOMSNF-UHFFFAOYSA-N	-1	1	385.423	2.036	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000266242316	532710517	/nfs/dbraw/zinc/71/05/17/532710517.db2.gz	WJTGWODPVMEADE-RKDXNWHRSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000443222723	532742410	/nfs/dbraw/zinc/74/24/10/532742410.db2.gz	FFSXUXIUZYSOPF-GWCFXTLKSA-N	-1	1	392.405	2.172	20	5		GEBDMM
CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443323598	532746025	/nfs/dbraw/zinc/74/60/25/532746025.db2.gz	VWELGRDCNOILTE-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1C1CCCCC1	ZINC000442770554	532735058	/nfs/dbraw/zinc/73/50/58/532735058.db2.gz	XXCJQGRJUYEMGH-LBPRGKRZSA-N	-1	1	387.483	2.258	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCCOCC1	ZINC000286548173	532754209	/nfs/dbraw/zinc/75/42/09/532754209.db2.gz	USTYKRQIRBGUDC-QMMMGPOBSA-N	-1	1	397.222	2.344	20	5		GEBDMM
O=C([O-])c1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[nH]1	ZINC000556349408	532810331	/nfs/dbraw/zinc/81/03/31/532810331.db2.gz	JCRAXZXJAJZOJY-UHFFFAOYSA-N	-1	1	390.171	2.184	20	5		GEBDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271197329	532804418	/nfs/dbraw/zinc/80/44/18/532804418.db2.gz	AUEWANYFFLOBJI-WCBMZHEXSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000289838616	532865915	/nfs/dbraw/zinc/86/59/15/532865915.db2.gz	LRNULZLLQMOJNM-SSDOTTSWSA-N	-1	1	384.241	2.047	20	5		GEBDMM
CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)OCCCO1	ZINC000289885051	532867246	/nfs/dbraw/zinc/86/72/46/532867246.db2.gz	OPHZXGFMYVUWLD-UHFFFAOYSA-N	-1	1	385.225	2.333	20	5		GEBDMM
CSC[C@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290865699	532890958	/nfs/dbraw/zinc/89/09/58/532890958.db2.gz	XSNAVXQZLYIJQR-LLVKDONJSA-N	-1	1	389.282	2.294	20	5		GEBDMM
O=C([C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1)N1CCCCC1	ZINC000366680613	532920252	/nfs/dbraw/zinc/92/02/52/532920252.db2.gz	QXKCTDRLSAWMBC-NEPJUHHUSA-N	-1	1	387.483	2.116	20	5		GEBDMM
CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000738163932	600191257	/nfs/dbraw/zinc/19/12/57/600191257.db2.gz	LHYRJSSBYOCETO-UHFFFAOYSA-N	-1	1	397.340	2.056	20	5		GEBDMM
CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nnn[n-]3)c1)C2	ZINC000824005502	607451039	/nfs/dbraw/zinc/45/10/39/607451039.db2.gz	VKEMUJMSVOOBLG-UHFFFAOYSA-N	-1	1	379.380	2.296	20	5		GEBDMM
CC(=O)Nc1cccc2c1CCN(c1ccc([N+](=O)[O-])c(-c3nn[n-]n3)c1)C2	ZINC000824005502	607451041	/nfs/dbraw/zinc/45/10/41/607451041.db2.gz	VKEMUJMSVOOBLG-UHFFFAOYSA-N	-1	1	379.380	2.296	20	5		GEBDMM
CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1	ZINC000824005139	607451422	/nfs/dbraw/zinc/45/14/22/607451422.db2.gz	LGQLTTJBDVETSX-UHFFFAOYSA-N	-1	1	383.368	2.224	20	5		GEBDMM
CC(=O)Nc1cccc(OCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1	ZINC000824005139	607451423	/nfs/dbraw/zinc/45/14/23/607451423.db2.gz	LGQLTTJBDVETSX-UHFFFAOYSA-N	-1	1	383.368	2.224	20	5		GEBDMM
COc1cc2c(cc1CNc1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])O[C@@H](C)C2	ZINC000821727697	607470207	/nfs/dbraw/zinc/47/02/07/607470207.db2.gz	MLTMULNCACXTFD-VIFPVBQESA-N	-1	1	383.368	2.114	20	5		GEBDMM
COc1cc2c(cc1CNc1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])O[C@@H](C)C2	ZINC000821727697	607470208	/nfs/dbraw/zinc/47/02/08/607470208.db2.gz	MLTMULNCACXTFD-VIFPVBQESA-N	-1	1	383.368	2.114	20	5		GEBDMM
C[C@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000827362157	601093689	/nfs/dbraw/zinc/09/36/89/601093689.db2.gz	JUKFTDNGGZUWFU-GFCCVEGCSA-N	-1	1	399.831	2.025	20	5		GEBDMM
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000833009946	601740949	/nfs/dbraw/zinc/74/09/49/601740949.db2.gz	RZPWCZLJNRZKCB-FQEVSTJZSA-N	-1	1	398.419	2.147	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000832097580	602308162	/nfs/dbraw/zinc/30/81/62/602308162.db2.gz	HTEPCSGVSSQJDM-UHFFFAOYSA-N	-1	1	381.366	2.172	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000832098192	602308657	/nfs/dbraw/zinc/30/86/57/602308657.db2.gz	YCYNCODYKIMKLC-UHFFFAOYSA-N	-1	1	380.378	2.421	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)cc2Cl)c1-c1nn[n-]n1	ZINC000826500188	607574856	/nfs/dbraw/zinc/57/48/56/607574856.db2.gz	NXHWHOXPRNOSJK-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCC2CCCCC2)c1-c1nn[n-]n1	ZINC000826500331	607586487	/nfs/dbraw/zinc/58/64/87/607586487.db2.gz	UJNPUNDPYXEGNB-UHFFFAOYSA-N	-1	1	380.430	2.024	20	5		GEBDMM
COc1ccc(NC(=O)CCN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000739918555	602835896	/nfs/dbraw/zinc/83/58/96/602835896.db2.gz	DHPJOQJJDNWIGZ-VXGBXAGGSA-N	-1	1	380.401	2.005	20	5		GEBDMM
CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824214805	607605792	/nfs/dbraw/zinc/60/57/92/607605792.db2.gz	IFOPAOZGPKMGRK-NWDGAFQWSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC(C)(C)CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824086843	607607831	/nfs/dbraw/zinc/60/78/31/607607831.db2.gz	NVHSPFOAWKCUGG-UHFFFAOYSA-N	-1	1	382.446	2.270	20	5		GEBDMM
O=C([O-])N[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000832140741	603142510	/nfs/dbraw/zinc/14/25/10/603142510.db2.gz	NVRILCRCBBGUPY-GFCCVEGCSA-N	-1	1	383.357	2.021	20	5		GEBDMM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC	ZINC000832236040	604366347	/nfs/dbraw/zinc/36/63/47/604366347.db2.gz	VCSAXZVMUWCMEH-CQSZACIVSA-N	-1	1	390.348	2.263	20	5		GEBDMM
COCCCOc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000826157049	607729954	/nfs/dbraw/zinc/72/99/54/607729954.db2.gz	GAAOJCWFFDNGNE-UHFFFAOYSA-N	-1	1	385.384	2.197	20	5		GEBDMM
COCCCOc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000826157049	607729956	/nfs/dbraw/zinc/72/99/56/607729956.db2.gz	GAAOJCWFFDNGNE-UHFFFAOYSA-N	-1	1	385.384	2.197	20	5		GEBDMM
CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])n[nH]1	ZINC000833673026	605072422	/nfs/dbraw/zinc/07/24/22/605072422.db2.gz	HGFFQVLCFBVYEI-SECBINFHSA-N	-1	1	393.425	2.333	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21	ZINC000834187149	605323429	/nfs/dbraw/zinc/32/34/29/605323429.db2.gz	YLPQWIGASYMNGG-FVQBIDKESA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21	ZINC000834183586	605327422	/nfs/dbraw/zinc/32/74/22/605327422.db2.gz	PNSFXVIVAILIRL-FVQBIDKESA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nnn[n-]2)s1	ZINC000823440447	606136933	/nfs/dbraw/zinc/13/69/33/606136933.db2.gz	UHKCCSGGTCEDNX-UHFFFAOYSA-N	-1	1	399.348	2.243	20	5		GEBDMM
O=C(OCc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccc(-c2nn[n-]n2)s1	ZINC000823440447	606136935	/nfs/dbraw/zinc/13/69/35/606136935.db2.gz	UHKCCSGGTCEDNX-UHFFFAOYSA-N	-1	1	399.348	2.243	20	5		GEBDMM
O=C(NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000823201839	606645196	/nfs/dbraw/zinc/64/51/96/606645196.db2.gz	MFDSEIYFFGDILF-UHFFFAOYSA-N	-1	1	387.787	2.270	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccn(-c2ccccc2)n1	ZINC000823625180	606705894	/nfs/dbraw/zinc/70/58/94/606705894.db2.gz	SFRKLKBITDPTSD-UHFFFAOYSA-N	-1	1	377.368	2.010	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccn(-c2ccccc2)n1	ZINC000823625180	606705896	/nfs/dbraw/zinc/70/58/96/606705896.db2.gz	SFRKLKBITDPTSD-UHFFFAOYSA-N	-1	1	377.368	2.010	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000823624768	606711529	/nfs/dbraw/zinc/71/15/29/606711529.db2.gz	IVADMJJLYHGMMS-UHFFFAOYSA-N	-1	1	399.758	2.485	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000823624768	606711530	/nfs/dbraw/zinc/71/15/30/606711530.db2.gz	IVADMJJLYHGMMS-UHFFFAOYSA-N	-1	1	399.758	2.485	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(C(F)(F)F)cn1	ZINC000823624710	606723585	/nfs/dbraw/zinc/72/35/85/606723585.db2.gz	FRKIBUPVIKGIGD-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(C(F)(F)F)cn1	ZINC000823624710	606723586	/nfs/dbraw/zinc/72/35/86/606723586.db2.gz	FRKIBUPVIKGIGD-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
CC(C)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000820039049	606733671	/nfs/dbraw/zinc/73/36/71/606733671.db2.gz	UONFPOMIOVHJFP-LBPRGKRZSA-N	-1	1	394.457	2.222	20	5		GEBDMM
CCS[C@H](C)c1noc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1	ZINC000821449728	607042844	/nfs/dbraw/zinc/04/28/44/607042844.db2.gz	XCFDWBYFFTUXFK-MRVPVSSYSA-N	-1	1	391.417	2.003	20	5		GEBDMM
CCS[C@H](C)c1noc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000821449728	607042845	/nfs/dbraw/zinc/04/28/45/607042845.db2.gz	XCFDWBYFFTUXFK-MRVPVSSYSA-N	-1	1	391.417	2.003	20	5		GEBDMM
C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820570519	607153160	/nfs/dbraw/zinc/15/31/60/607153160.db2.gz	LLTCCJVKKJAZKQ-NSHDSACASA-N	-1	1	388.409	2.157	20	5		GEBDMM
Cc1cccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1C	ZINC000822309203	607156074	/nfs/dbraw/zinc/15/60/74/607156074.db2.gz	PQVQCPCMUNMHMO-UHFFFAOYSA-N	-1	1	388.409	2.217	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826497946	607868212	/nfs/dbraw/zinc/86/82/12/607868212.db2.gz	ACEONCSDIBVKMJ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826497946	607868213	/nfs/dbraw/zinc/86/82/13/607868213.db2.gz	ACEONCSDIBVKMJ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
Cc1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1C	ZINC000826290334	607968827	/nfs/dbraw/zinc/96/88/27/607968827.db2.gz	JUBRHBLDLHLCPY-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
Cc1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1C	ZINC000826290334	607968828	/nfs/dbraw/zinc/96/88/28/607968828.db2.gz	JUBRHBLDLHLCPY-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3ccncc3c2)c1-c1nn[n-]n1	ZINC000826500224	609315592	/nfs/dbraw/zinc/31/55/92/609315592.db2.gz	OXKRBOKASVQHCH-UHFFFAOYSA-N	-1	1	398.360	2.091	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000503830205	650423003	/nfs/dbraw/zinc/42/30/03/650423003.db2.gz	PIOUUBWJIDRFHI-VHSXEESVSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000507291345	650458522	/nfs/dbraw/zinc/45/85/22/650458522.db2.gz	HVVQSKIHZLBLFF-LLVKDONJSA-N	-1	1	398.144	2.461	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccsc2Br)c([N+](=O)[O-])n1	ZINC000509339925	650493411	/nfs/dbraw/zinc/49/34/11/650493411.db2.gz	UEDNNWYPYBRNBV-UHFFFAOYSA-N	-1	1	395.260	2.114	20	5		GEBDMM
COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)C	ZINC000512523805	650550240	/nfs/dbraw/zinc/55/02/40/650550240.db2.gz	NJLPIQILZSOUAD-LBPRGKRZSA-N	-1	1	385.467	2.246	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(Br)cc1	ZINC000525702582	650656762	/nfs/dbraw/zinc/65/67/62/650656762.db2.gz	GNBLLOIQNOWRNL-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])n1	ZINC000486846962	650724034	/nfs/dbraw/zinc/72/40/34/650724034.db2.gz	PHSFZVZIVBKXEN-ZCFIWIBFSA-N	-1	1	399.376	2.326	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1	ZINC000042822340	642557168	/nfs/dbraw/zinc/55/71/68/642557168.db2.gz	MGHVKWZFNPRONO-SNVBAGLBSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)c([N+](=O)[O-])n1	ZINC000533633600	650764077	/nfs/dbraw/zinc/76/40/77/650764077.db2.gz	TXMKQRNIZWXVHR-SNVBAGLBSA-N	-1	1	388.833	2.210	20	5		GEBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(Cc2ccc(Cl)s2)CC1	ZINC000102802525	643140081	/nfs/dbraw/zinc/14/00/81/643140081.db2.gz	ZAQONVOHPAINLH-UHFFFAOYSA-N	-1	1	382.829	2.368	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000497955473	650843503	/nfs/dbraw/zinc/84/35/03/650843503.db2.gz	ZKKQYUVUXVSLBT-XVKPBYJWSA-N	-1	1	376.740	2.228	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1c(F)cccc1F	ZINC000121044291	643628157	/nfs/dbraw/zinc/62/81/57/643628157.db2.gz	LTLOOHIHUZFERE-LLVKDONJSA-N	-1	1	376.312	2.024	20	5		GEBDMM
Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1=O	ZINC000161595777	644214015	/nfs/dbraw/zinc/21/40/15/644214015.db2.gz	TVTMQJWMVJAJMC-UHFFFAOYSA-N	-1	1	377.300	2.113	20	5		GEBDMM
CNC(=O)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000170659499	644283841	/nfs/dbraw/zinc/28/38/41/644283841.db2.gz	CJYRBWDLXSKFSH-UHFFFAOYSA-N	-1	1	383.813	2.086	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOCC(F)(F)F	ZINC000170660652	644284729	/nfs/dbraw/zinc/28/47/29/644284729.db2.gz	LBDCTXZPKOQEHO-UHFFFAOYSA-N	-1	1	376.740	2.496	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncc2OCC(F)(F)F)s1	ZINC000545559159	650978871	/nfs/dbraw/zinc/97/88/71/650978871.db2.gz	CKTAUIURCLDXCE-UHFFFAOYSA-N	-1	1	397.356	2.471	20	5		GEBDMM
C[C@@]1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCOC1	ZINC000221236546	645385953	/nfs/dbraw/zinc/38/59/53/645385953.db2.gz	UERQEWBQXLVXGR-GFCCVEGCSA-N	-1	1	379.232	2.205	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1cnn(C)c1	ZINC000266194046	645832559	/nfs/dbraw/zinc/83/25/59/645832559.db2.gz	NGSJNMAHVRXVCN-QMMMGPOBSA-N	-1	1	389.231	2.130	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nncn1C	ZINC000279318439	646590779	/nfs/dbraw/zinc/59/07/79/646590779.db2.gz	FSOLMSZLAWMVNJ-ZCFIWIBFSA-N	-1	1	380.213	2.070	20	5		GEBDMM
Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cnn1C	ZINC000281116050	646747132	/nfs/dbraw/zinc/74/71/32/646747132.db2.gz	GXKBJZVJVLSKSV-ZETCQYMHSA-N	-1	1	376.797	2.469	20	5		GEBDMM
Cc1nnc2n1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000377868367	647870582	/nfs/dbraw/zinc/87/05/82/647870582.db2.gz	HRRLCOYRUXVPTE-SNVBAGLBSA-N	-1	1	389.796	2.101	20	5		GEBDMM
CCC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000548268516	651074990	/nfs/dbraw/zinc/07/49/90/651074990.db2.gz	PTFNMRQUUTTXLB-VIFPVBQESA-N	-1	1	399.208	2.002	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccccn1	ZINC000609030373	651608715	/nfs/dbraw/zinc/60/87/15/651608715.db2.gz	SYKULAZAIHSAQL-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
COC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000609315269	651615618	/nfs/dbraw/zinc/61/56/18/651615618.db2.gz	YASSTAGZWSVCJD-UHFFFAOYSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc([N+](=O)[O-])cc1Br	ZINC000610066193	651641603	/nfs/dbraw/zinc/64/16/03/651641603.db2.gz	WRGZDFMOZILBKZ-UHFFFAOYSA-N	-1	1	381.190	2.070	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)on1	ZINC000610161512	651648483	/nfs/dbraw/zinc/64/84/83/651648483.db2.gz	WONKSDCCTJVGHT-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(F)ccc1Br	ZINC000610261578	651651603	/nfs/dbraw/zinc/65/16/03/651651603.db2.gz	LTTIWZQGIKLSQO-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
Cc1[nH]nc(C(=O)Nc2cc(I)ccc2[O-])c1[N+](=O)[O-]	ZINC000610490461	651665324	/nfs/dbraw/zinc/66/53/24/651665324.db2.gz	ASPCCJLZTNYJMT-UHFFFAOYSA-N	-1	1	388.121	2.189	20	5		GEBDMM
CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611376505	651722312	/nfs/dbraw/zinc/72/23/12/651722312.db2.gz	XIIPDOQTVYUYAF-SKDRFNHKSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COc1nnc([N-]C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1	ZINC000616018657	651890740	/nfs/dbraw/zinc/89/07/40/651890740.db2.gz	CRPJRNGGBRWROB-UHFFFAOYSA-N	-1	1	376.297	2.317	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000741252119	651941946	/nfs/dbraw/zinc/94/19/46/651941946.db2.gz	PGVMKEQISDJXEP-JTQLQIEISA-N	-1	1	378.834	2.316	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ncccc1F	ZINC000746691422	652123062	/nfs/dbraw/zinc/12/30/62/652123062.db2.gz	WXQFEYQMLNZTCO-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1Cl	ZINC000751480620	652355919	/nfs/dbraw/zinc/35/59/19/652355919.db2.gz	ZPEWTQOSEZJRRW-OQPBUACISA-N	-1	1	389.792	2.183	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1cc2ccccc2s1	ZINC000751490463	652357097	/nfs/dbraw/zinc/35/70/97/652357097.db2.gz	GJTYDIFVEBUXKM-LLVKDONJSA-N	-1	1	379.419	2.216	20	5		GEBDMM
C[C@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000753844973	652418397	/nfs/dbraw/zinc/41/83/97/652418397.db2.gz	IKJWJPHVVHAHTK-LLVKDONJSA-N	-1	1	384.435	2.457	20	5		GEBDMM
CCOCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757723541	652521227	/nfs/dbraw/zinc/52/12/27/652521227.db2.gz	HDYBVAPQOKHAKC-UHFFFAOYSA-N	-1	1	385.211	2.201	20	5		GEBDMM
CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593626279	652629637	/nfs/dbraw/zinc/62/96/37/652629637.db2.gz	STFULLGAMIDTIW-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1	ZINC000763088133	652736795	/nfs/dbraw/zinc/73/67/95/652736795.db2.gz	WUMNPDLLGJYHMN-UHFFFAOYSA-N	-1	1	388.398	2.328	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1	ZINC000599449462	652872833	/nfs/dbraw/zinc/87/28/33/652872833.db2.gz	RBSKFMKDRWGYIL-LLVKDONJSA-N	-1	1	376.456	2.304	20	5		GEBDMM
Cc1nccn1-c1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768834582	653129675	/nfs/dbraw/zinc/12/96/75/653129675.db2.gz	VCBGBMSFGFMGJU-UHFFFAOYSA-N	-1	1	379.423	2.024	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OCC1CC1	ZINC000809813946	653298729	/nfs/dbraw/zinc/29/87/29/653298729.db2.gz	VUXNGROVXJNRJZ-UHFFFAOYSA-N	-1	1	383.209	2.133	20	5		GEBDMM
CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O	ZINC000809817143	653300252	/nfs/dbraw/zinc/30/02/52/653300252.db2.gz	UAGSVGMBBSBGAQ-SNVBAGLBSA-N	-1	1	396.252	2.189	20	5		GEBDMM
CC(C)C(=O)NCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809828449	653304129	/nfs/dbraw/zinc/30/41/29/653304129.db2.gz	MWKQXSZPBFZJRL-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)cc1Cl	ZINC000809829878	653304873	/nfs/dbraw/zinc/30/48/73/653304873.db2.gz	NRMAGMHVKNEWCM-SECBINFHSA-N	-1	1	394.808	2.351	20	5		GEBDMM
CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809829609	653304895	/nfs/dbraw/zinc/30/48/95/653304895.db2.gz	FFPBCJLSMORXCC-GMSGAONNSA-N	-1	1	396.252	2.095	20	5		GEBDMM
Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1[C@@H](C)O	ZINC000775592021	653318561	/nfs/dbraw/zinc/31/85/61/653318561.db2.gz	KWYGZAUKOYLJLN-SNVBAGLBSA-N	-1	1	385.829	2.483	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859340751	653444048	/nfs/dbraw/zinc/44/40/48/653444048.db2.gz	IGALZDRXVNCUSE-LOKDSWTASA-N	-1	1	393.259	2.448	20	5		GEBDMM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814986175	653642120	/nfs/dbraw/zinc/64/21/20/653642120.db2.gz	JBIAANRDDMTFTG-UHFFFAOYSA-N	-1	1	390.824	2.259	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1cccn1	ZINC000814991456	653642321	/nfs/dbraw/zinc/64/23/21/653642321.db2.gz	JFAHLUQFCVELKO-VIFPVBQESA-N	-1	1	376.797	2.198	20	5		GEBDMM
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815003031	653642570	/nfs/dbraw/zinc/64/25/70/653642570.db2.gz	BIKVRKKALRLWPO-UHFFFAOYSA-N	-1	1	397.812	2.190	20	5		GEBDMM
CC(C)(C)N1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O	ZINC000815022310	653644595	/nfs/dbraw/zinc/64/45/95/653644595.db2.gz	OAJRPUUZOJIJLY-MRVPVSSYSA-N	-1	1	393.824	2.065	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1	ZINC000815029742	653646172	/nfs/dbraw/zinc/64/61/72/653646172.db2.gz	XDEZYMPQDPJWTK-XPTSAGLGSA-N	-1	1	394.808	2.004	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)c1ccsc1	ZINC000815031265	653646258	/nfs/dbraw/zinc/64/62/58/653646258.db2.gz	PQZYBRUHQXZTLT-NSHDSACASA-N	-1	1	380.806	2.461	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)(C)O	ZINC000815081561	653650230	/nfs/dbraw/zinc/65/02/30/653650230.db2.gz	IQXIFGPILICVFS-LLVKDONJSA-N	-1	1	399.238	2.324	20	5		GEBDMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000841550816	653731582	/nfs/dbraw/zinc/73/15/82/653731582.db2.gz	XCMVVNIJZBIKNG-KOLCDFICSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2cncn2c1	ZINC000793108682	653867174	/nfs/dbraw/zinc/86/71/74/653867174.db2.gz	BTKWBNFFMPVSHC-UHFFFAOYSA-N	-1	1	380.769	2.015	20	5		GEBDMM
CCN1C[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000845994765	653878560	/nfs/dbraw/zinc/87/85/60/653878560.db2.gz	VACYVPUGTOKBFQ-QMMMGPOBSA-N	-1	1	396.252	2.048	20	5		GEBDMM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795852999	653970756	/nfs/dbraw/zinc/97/07/56/653970756.db2.gz	PMXXHRDMGPNGRL-LBPRGKRZSA-N	-1	1	399.238	2.182	20	5		GEBDMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795855348	653971637	/nfs/dbraw/zinc/97/16/37/653971637.db2.gz	JKHOVRWKKZBPKD-HTQZYQBOSA-N	-1	1	399.238	2.182	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCn1cccc1	ZINC000795876995	653974123	/nfs/dbraw/zinc/97/41/23/653974123.db2.gz	VAYREJJSIVYTPL-UHFFFAOYSA-N	-1	1	392.206	2.276	20	5		GEBDMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000849436643	654034454	/nfs/dbraw/zinc/03/44/54/654034454.db2.gz	MYCMUSXFBCPNNC-ZKCHVHJHSA-N	-1	1	397.222	2.342	20	5		GEBDMM
Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000849461240	654041175	/nfs/dbraw/zinc/04/11/75/654041175.db2.gz	VOWONSYQCYLOOV-UHFFFAOYSA-N	-1	1	388.808	2.477	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H](O)C23CCC3)c1Cl	ZINC000849471984	654044568	/nfs/dbraw/zinc/04/45/68/654044568.db2.gz	YNYNHDMRSUWHMV-VHSXEESVSA-N	-1	1	381.237	2.483	20	5		GEBDMM
Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000800051971	654126144	/nfs/dbraw/zinc/12/61/44/654126144.db2.gz	BZQZLCLAXGRWRL-UHFFFAOYSA-N	-1	1	388.398	2.247	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1Cl	ZINC000830844625	654146363	/nfs/dbraw/zinc/14/63/63/654146363.db2.gz	FAOIFVMRQCYOTK-SECBINFHSA-N	-1	1	399.252	2.376	20	5		GEBDMM
C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[S@](C)=O	ZINC000830898029	654149122	/nfs/dbraw/zinc/14/91/22/654149122.db2.gz	UMHRNQPVAKSOAS-QFWYVNQISA-N	-1	1	389.282	2.337	20	5		GEBDMM
CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830957751	654152563	/nfs/dbraw/zinc/15/25/63/654152563.db2.gz	MDABMMCOUYVBCG-VIFPVBQESA-N	-1	1	398.268	2.341	20	5		GEBDMM
CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830995773	654154946	/nfs/dbraw/zinc/15/49/46/654154946.db2.gz	KYCOAMAFZJDLMD-IONNQARKSA-N	-1	1	396.252	2.095	20	5		GEBDMM
NC(=O)CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1	ZINC000851862192	654193814	/nfs/dbraw/zinc/19/38/14/654193814.db2.gz	WZFCRFSFWJGMMM-UHFFFAOYSA-N	-1	1	389.861	2.352	20	5		GEBDMM
C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000832463409	654268082	/nfs/dbraw/zinc/26/80/82/654268082.db2.gz	ZRRDGZNLGQOJFT-QMMMGPOBSA-N	-1	1	376.797	2.030	20	5		GEBDMM
O=C([O-])C1=CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000853069273	654275824	/nfs/dbraw/zinc/27/58/24/654275824.db2.gz	NEMRAPRKIVEJOZ-MRVPVSSYSA-N	-1	1	381.193	2.353	20	5		GEBDMM
O=C([O-])CC[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)(F)F	ZINC000853071999	654276388	/nfs/dbraw/zinc/27/63/88/654276388.db2.gz	XDMLJJFVFASYBN-SSDOTTSWSA-N	-1	1	388.295	2.056	20	5		GEBDMM
CC(C)[C@H](O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000122004332	532055127	/nfs/dbraw/zinc/05/51/27/532055127.db2.gz	OZGYTMZYZPNLER-LLVKDONJSA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295552376	532459420	/nfs/dbraw/zinc/45/94/20/532459420.db2.gz	SIQLPIIPTSDFKC-MRVPVSSYSA-N	-1	1	381.248	2.185	20	5		GEBDMM
CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000469159033	532493788	/nfs/dbraw/zinc/49/37/88/532493788.db2.gz	HHLKJNDSUFQFGJ-QMMMGPOBSA-N	-1	1	384.332	2.391	20	5		GEBDMM
C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296673803	532533542	/nfs/dbraw/zinc/53/35/42/532533542.db2.gz	HGYMFCZOKSKGBN-MRVPVSSYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
CNC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1	ZINC000595367444	532561237	/nfs/dbraw/zinc/56/12/37/532561237.db2.gz	OYPHEJQOYCIEPF-UHFFFAOYSA-N	-1	1	375.472	2.021	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccccc2Br)c([N+](=O)[O-])n1	ZINC000533174589	532661895	/nfs/dbraw/zinc/66/18/95/532661895.db2.gz	UNTOAFDJXWHLFD-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000330500115	532819934	/nfs/dbraw/zinc/81/99/34/532819934.db2.gz	NDFCJBGNZFXIFP-GZMMTYOYSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@]12CCCO2	ZINC000273595562	532827761	/nfs/dbraw/zinc/82/77/61/532827761.db2.gz	KOZCELNLUCDZNY-NFAWXSAZSA-N	-1	1	390.845	2.253	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCOCC2)C1	ZINC000331417093	532839432	/nfs/dbraw/zinc/83/94/32/532839432.db2.gz	OIPUKBMZRLRTER-LLVKDONJSA-N	-1	1	390.845	2.255	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)N1CCCC1	ZINC000289773822	532864444	/nfs/dbraw/zinc/86/44/44/532864444.db2.gz	HPTVWZMSMMXBMS-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
COCC[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000416575532	532878746	/nfs/dbraw/zinc/87/87/46/532878746.db2.gz	BHBQIUDIKVQZJJ-VIFPVBQESA-N	-1	1	381.248	2.308	20	5		GEBDMM
NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290744134	532888241	/nfs/dbraw/zinc/88/82/41/532888241.db2.gz	MFJGKXOXWNQPSS-GMSGAONNSA-N	-1	1	396.252	2.224	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1	ZINC000361180607	532892520	/nfs/dbraw/zinc/89/25/20/532892520.db2.gz	WQOMPEQXHYHMCA-MFKMUULPSA-N	-1	1	391.243	2.203	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000366257682	532915378	/nfs/dbraw/zinc/91/53/78/532915378.db2.gz	GBAQYMVEKSLPBC-UHFFFAOYSA-N	-1	1	396.824	2.109	20	5		GEBDMM
O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1F	ZINC000739373342	599990402	/nfs/dbraw/zinc/99/04/02/599990402.db2.gz	OSMRPTJBNQXADH-AWEZNQCLSA-N	-1	1	376.275	2.305	20	5		GEBDMM
O=C([O-])[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1	ZINC000547871569	600343411	/nfs/dbraw/zinc/34/34/11/600343411.db2.gz	QEFIACMVBXUVHF-SNVBAGLBSA-N	-1	1	376.799	2.414	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1nnn[n-]1	ZINC000826499044	607449435	/nfs/dbraw/zinc/44/94/35/607449435.db2.gz	SZDKWICKXAYHCU-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1-c1nn[n-]n1	ZINC000826499044	607449437	/nfs/dbraw/zinc/44/94/37/607449437.db2.gz	SZDKWICKXAYHCU-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000824657207	607449807	/nfs/dbraw/zinc/44/98/07/607449807.db2.gz	PQXIMTOXEFQGAZ-SNVBAGLBSA-N	-1	1	388.409	2.352	20	5		GEBDMM
C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000824657207	607449812	/nfs/dbraw/zinc/44/98/12/607449812.db2.gz	PQXIMTOXEFQGAZ-SNVBAGLBSA-N	-1	1	388.409	2.352	20	5		GEBDMM
C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)cn2)CCO1	ZINC000824991937	607452063	/nfs/dbraw/zinc/45/20/63/607452063.db2.gz	IGRTWSWZQCOPQD-GFCCVEGCSA-N	-1	1	396.411	2.007	20	5		GEBDMM
C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)cn2)CCO1	ZINC000824991937	607452065	/nfs/dbraw/zinc/45/20/65/607452065.db2.gz	IGRTWSWZQCOPQD-GFCCVEGCSA-N	-1	1	396.411	2.007	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(=O)[O-]	ZINC000831435052	600688338	/nfs/dbraw/zinc/68/83/38/600688338.db2.gz	MKXCNKKYQWJWLQ-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000832903796	600691211	/nfs/dbraw/zinc/69/12/11/600691211.db2.gz	WJXAEMSOQTXAII-UHFFFAOYSA-N	-1	1	381.322	2.310	20	5		GEBDMM
COc1ccc(NC(=O)CCN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000739918548	602836002	/nfs/dbraw/zinc/83/60/02/602836002.db2.gz	DHPJOQJJDNWIGZ-RYUDHWBXSA-N	-1	1	380.401	2.005	20	5		GEBDMM
Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000826235248	607604629	/nfs/dbraw/zinc/60/46/29/607604629.db2.gz	GDBBVAAPIQMNPH-UHFFFAOYSA-N	-1	1	399.323	2.052	20	5		GEBDMM
Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000826235248	607604631	/nfs/dbraw/zinc/60/46/31/607604631.db2.gz	GDBBVAAPIQMNPH-UHFFFAOYSA-N	-1	1	399.323	2.052	20	5		GEBDMM
CC(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824214808	607605726	/nfs/dbraw/zinc/60/57/26/607605726.db2.gz	IFOPAOZGPKMGRK-RYUDHWBXSA-N	-1	1	394.457	2.268	20	5		GEBDMM
C[C@@H]1CCCC[C@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824936168	607616826	/nfs/dbraw/zinc/61/68/26/607616826.db2.gz	FGHLYJOGHKRXMN-NEPJUHHUSA-N	-1	1	394.457	2.270	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1-c1nn[n-]n1	ZINC000826500259	607650435	/nfs/dbraw/zinc/65/04/35/607650435.db2.gz	QIPLCNDRRHYVGJ-IJLUTSLNSA-N	-1	1	392.441	2.022	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000824453749	605372309	/nfs/dbraw/zinc/37/23/09/605372309.db2.gz	VJOANRQODIXXRW-LBPRGKRZSA-N	-1	1	379.417	2.436	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000820512545	606135108	/nfs/dbraw/zinc/13/51/08/606135108.db2.gz	MBSJCAOOSOJUFI-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000820512545	606135110	/nfs/dbraw/zinc/13/51/10/606135110.db2.gz	MBSJCAOOSOJUFI-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1	ZINC000823634210	606449433	/nfs/dbraw/zinc/44/94/33/606449433.db2.gz	DCFGAGZLASFLED-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1	ZINC000823634210	606449435	/nfs/dbraw/zinc/44/94/35/606449435.db2.gz	DCFGAGZLASFLED-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCN1c1ccccc1	ZINC000823513502	606646006	/nfs/dbraw/zinc/64/60/06/606646006.db2.gz	URDPFZFBJCZNBF-HNNXBMFYSA-N	-1	1	379.380	2.382	20	5		GEBDMM
O=[N+]([O-])c1cc(N[C@H](CO)Cc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1	ZINC000823634895	606646153	/nfs/dbraw/zinc/64/61/53/606646153.db2.gz	NSKSNZCZBBSJAS-ZDUSSCGKSA-N	-1	1	379.380	2.272	20	5		GEBDMM
CN(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1c(F)cccc1F	ZINC000821581777	606710306	/nfs/dbraw/zinc/71/03/06/606710306.db2.gz	UTRSALZRILTCSM-LBPRGKRZSA-N	-1	1	390.354	2.163	20	5		GEBDMM
CN(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1c(F)cccc1F	ZINC000821581777	606710307	/nfs/dbraw/zinc/71/03/07/606710307.db2.gz	UTRSALZRILTCSM-LBPRGKRZSA-N	-1	1	390.354	2.163	20	5		GEBDMM
CC(C)Oc1cccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820178087	606710749	/nfs/dbraw/zinc/71/07/49/606710749.db2.gz	HDKLNZLZDNQMNO-CQSZACIVSA-N	-1	1	385.384	2.103	20	5		GEBDMM
CC(C)Oc1cccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820178087	606710751	/nfs/dbraw/zinc/71/07/51/606710751.db2.gz	HDKLNZLZDNQMNO-CQSZACIVSA-N	-1	1	385.384	2.103	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccn(-c2ccc(F)cc2)n1	ZINC000823625612	606714048	/nfs/dbraw/zinc/71/40/48/606714048.db2.gz	ZVLDNMAYBDMWBS-UHFFFAOYSA-N	-1	1	395.358	2.149	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccn(-c2ccc(F)cc2)n1	ZINC000823625612	606714049	/nfs/dbraw/zinc/71/40/49/606714049.db2.gz	ZVLDNMAYBDMWBS-UHFFFAOYSA-N	-1	1	395.358	2.149	20	5		GEBDMM
CC[C@@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820980674	606733952	/nfs/dbraw/zinc/73/39/52/606733952.db2.gz	MJVLDROLZCJBNG-LLVKDONJSA-N	-1	1	380.430	2.118	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(C2)CCCCC3)c1-c1nn[n-]n1	ZINC000823648337	606735478	/nfs/dbraw/zinc/73/54/78/606735478.db2.gz	VCWWQEFUJFUAGL-UHFFFAOYSA-N	-1	1	392.441	2.120	20	5		GEBDMM
CC(C)C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000820069294	606735514	/nfs/dbraw/zinc/73/55/14/606735514.db2.gz	ZHEMVSVMUFNUEP-LBPRGKRZSA-N	-1	1	394.457	2.222	20	5		GEBDMM
Cc1ccn(-c2ccccc2CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1	ZINC000822369995	607126125	/nfs/dbraw/zinc/12/61/25/607126125.db2.gz	RBINPHMZRGRBAD-UHFFFAOYSA-N	-1	1	377.368	2.276	20	5		GEBDMM
Cc1ccn(-c2ccccc2CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000822369995	607126128	/nfs/dbraw/zinc/12/61/28/607126128.db2.gz	RBINPHMZRGRBAD-UHFFFAOYSA-N	-1	1	377.368	2.276	20	5		GEBDMM
CCC[C@@H](C)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821014437	607143930	/nfs/dbraw/zinc/14/39/30/607143930.db2.gz	HEOWXCGWKVQKDT-NEPJUHHUSA-N	-1	1	394.457	2.364	20	5		GEBDMM
COc1ccc(Cl)cc1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821823755	607164895	/nfs/dbraw/zinc/16/48/95/607164895.db2.gz	BYPUKIHLEPGAGD-UHFFFAOYSA-N	-1	1	375.776	2.468	20	5		GEBDMM
COc1ccc(Cl)cc1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821823755	607164897	/nfs/dbraw/zinc/16/48/97/607164897.db2.gz	BYPUKIHLEPGAGD-UHFFFAOYSA-N	-1	1	375.776	2.468	20	5		GEBDMM
Cc1cc([C@H]2CN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CCO2)ccc1F	ZINC000826266467	608153618	/nfs/dbraw/zinc/15/36/18/608153618.db2.gz	PRENOMYIOBAFTD-CQSZACIVSA-N	-1	1	385.359	2.195	20	5		GEBDMM
Cc1cc([C@H]2CN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CCO2)ccc1F	ZINC000826266467	608153620	/nfs/dbraw/zinc/15/36/20/608153620.db2.gz	PRENOMYIOBAFTD-CQSZACIVSA-N	-1	1	385.359	2.195	20	5		GEBDMM
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824897892	608564784	/nfs/dbraw/zinc/56/47/84/608564784.db2.gz	CKFOBEZTCKDMAC-WOPDTQHZSA-N	-1	1	392.441	2.117	20	5		GEBDMM
COc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)ccc1[N+](=O)[O-]	ZINC000826179811	609418854	/nfs/dbraw/zinc/41/88/54/609418854.db2.gz	FRLXRJXLTGGXDE-UHFFFAOYSA-N	-1	1	378.348	2.147	20	5		GEBDMM
O=C(OCCCOc1cccc(-c2nn[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000826463732	609622051	/nfs/dbraw/zinc/62/20/51/609622051.db2.gz	RZFYVHOWJOLLMT-UHFFFAOYSA-N	-1	1	385.336	2.106	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)on1	ZINC000447016460	649994224	/nfs/dbraw/zinc/99/42/24/649994224.db2.gz	JZDVTHZAVJWSHG-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CCc1ncc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000451959304	650158064	/nfs/dbraw/zinc/15/80/64/650158064.db2.gz	MZFAZRJBLFZLMB-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCOC1	ZINC000452014166	650166105	/nfs/dbraw/zinc/16/61/05/650166105.db2.gz	IDLHAZUJOQQPEQ-SNVBAGLBSA-N	-1	1	393.259	2.452	20	5		GEBDMM
Cc1c(Br)c([N-]c2ccn(CC(=O)N(C)C)n2)ncc1[N+](=O)[O-]	ZINC000542505422	650406690	/nfs/dbraw/zinc/40/66/90/650406690.db2.gz	GOVJDWZCQIXAEW-UHFFFAOYSA-N	-1	1	383.206	2.089	20	5		GEBDMM
COC(=O)c1ncc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl	ZINC000508080831	650473622	/nfs/dbraw/zinc/47/36/22/650473622.db2.gz	AMWSDTSFLIKEMM-UHFFFAOYSA-N	-1	1	385.785	2.372	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1	ZINC000063879637	642865654	/nfs/dbraw/zinc/86/56/54/642865654.db2.gz	KWOMYGNJLYCPKJ-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)s1	ZINC000064244736	642871259	/nfs/dbraw/zinc/87/12/59/642871259.db2.gz	RXCRBOIFOZDWTF-UHFFFAOYSA-N	-1	1	378.435	2.380	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000102411738	643125738	/nfs/dbraw/zinc/12/57/38/643125738.db2.gz	CYBZLZMYHYCTTG-WDEREUQCSA-N	-1	1	389.861	2.316	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F	ZINC000497932982	650842033	/nfs/dbraw/zinc/84/20/33/650842033.db2.gz	AUHDDAUAMOUJMC-WPRPVWTQSA-N	-1	1	376.740	2.228	20	5		GEBDMM
Cn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1=O	ZINC000118962533	643528226	/nfs/dbraw/zinc/52/82/26/643528226.db2.gz	PTHNWHFVBRRZLV-UHFFFAOYSA-N	-1	1	378.193	2.401	20	5		GEBDMM
CCCNC(=O)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000119595389	643560185	/nfs/dbraw/zinc/56/01/85/643560185.db2.gz	YYIPNQWOCODEFV-UHFFFAOYSA-N	-1	1	383.451	2.275	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1	ZINC000121720576	643638733	/nfs/dbraw/zinc/63/87/33/643638733.db2.gz	CTSHJUYRHZDUOE-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1	ZINC000130814275	643851852	/nfs/dbraw/zinc/85/18/52/643851852.db2.gz	ORHCHKZSSTZQHY-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
Cc1ocnc1C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000161919470	644225432	/nfs/dbraw/zinc/22/54/32/644225432.db2.gz	LLUVWURFZGEZDJ-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000545470911	650976101	/nfs/dbraw/zinc/97/61/01/650976101.db2.gz	QZIGZVCWSVLWAV-MRVPVSSYSA-N	-1	1	384.332	2.375	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)s1	ZINC000188559168	645119246	/nfs/dbraw/zinc/11/92/46/645119246.db2.gz	PPNUEIZTQKILNP-LDYMZIIASA-N	-1	1	388.389	2.418	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCSC2)C1	ZINC000269108424	646016214	/nfs/dbraw/zinc/01/62/14/646016214.db2.gz	CHZCNBDBXIXYMA-IINYFYTJSA-N	-1	1	376.431	2.067	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1	ZINC000269372271	646031768	/nfs/dbraw/zinc/03/17/68/646031768.db2.gz	ZBLUUDQKVRWOCX-NSHDSACASA-N	-1	1	390.458	2.457	20	5		GEBDMM
C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000285632640	646859484	/nfs/dbraw/zinc/85/94/84/646859484.db2.gz	NYPLEQDNQIROMH-VHSXEESVSA-N	-1	1	393.259	2.308	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)cc1Cl	ZINC000377855994	647869556	/nfs/dbraw/zinc/86/95/56/647869556.db2.gz	MLGQDFJWLBJGPP-OTYXRUKQSA-N	-1	1	394.808	2.004	20	5		GEBDMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1	ZINC000416491625	648146698	/nfs/dbraw/zinc/14/66/98/648146698.db2.gz	ZUDDUKUYWWWOMV-ZCFIWIBFSA-N	-1	1	379.320	2.080	20	5		GEBDMM
O=C([N-]c1n[nH]c(-c2ccc(Br)cc2F)n1)c1c[nH]nc1[N+](=O)[O-]	ZINC000548943629	651089753	/nfs/dbraw/zinc/08/97/53/651089753.db2.gz	PAMCOMGGICRCMM-UHFFFAOYSA-N	-1	1	396.136	2.257	20	5		GEBDMM
C[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCOC1	ZINC000611314453	651719993	/nfs/dbraw/zinc/71/99/93/651719993.db2.gz	UKPBOEQEWBCSQZ-LBPRGKRZSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000735919987	651802474	/nfs/dbraw/zinc/80/24/74/651802474.db2.gz	ISSLEYOMIWMRGJ-UHFFFAOYSA-N	-1	1	391.833	2.146	20	5		GEBDMM
COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000751224427	652332686	/nfs/dbraw/zinc/33/26/86/652332686.db2.gz	RWEDQXVBKKFPQG-ZDUSSCGKSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751388786	652344160	/nfs/dbraw/zinc/34/41/60/652344160.db2.gz	IFAACWVKFAFXAL-RNCFNFMXSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)Oc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000751429575	652348502	/nfs/dbraw/zinc/34/85/02/652348502.db2.gz	GHYKHMJEBLNIAJ-CYBMUJFWSA-N	-1	1	386.451	2.455	20	5		GEBDMM
C[C@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1	ZINC000751438875	652350475	/nfs/dbraw/zinc/35/04/75/652350475.db2.gz	QIIGBRHQRGBPIN-ZDUSSCGKSA-N	-1	1	376.843	2.496	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC1CCCC1	ZINC000751975867	652374232	/nfs/dbraw/zinc/37/42/32/652374232.db2.gz	SBOWAYBCSRKWJT-VIFPVBQESA-N	-1	1	376.818	2.401	20	5		GEBDMM
CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751982268	652375194	/nfs/dbraw/zinc/37/51/94/652375194.db2.gz	LQYGZAZOXOGHEH-NSHDSACASA-N	-1	1	376.818	2.258	20	5		GEBDMM
CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000592084631	652584171	/nfs/dbraw/zinc/58/41/71/652584171.db2.gz	WGCUUCSSHDZPHX-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1F	ZINC000765135254	652826324	/nfs/dbraw/zinc/82/63/24/652826324.db2.gz	GSBSKQLJDBDBEG-UHFFFAOYSA-N	-1	1	383.386	2.352	20	5		GEBDMM
COC(=O)[C@](C)([N-]S(=O)(=O)c1sccc1C)c1cccc([N+](=O)[O-])c1	ZINC000599488418	652876341	/nfs/dbraw/zinc/87/63/41/652876341.db2.gz	YQTDUSYXWOGUFM-OAHLLOKOSA-N	-1	1	384.435	2.331	20	5		GEBDMM
C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000768916947	653138004	/nfs/dbraw/zinc/13/80/04/653138004.db2.gz	HHUCUWLHUUOQFP-SECBINFHSA-N	-1	1	393.849	2.440	20	5		GEBDMM
CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000809813343	653297905	/nfs/dbraw/zinc/29/79/05/653297905.db2.gz	DHNHSGFNPAEAIC-QMMMGPOBSA-N	-1	1	396.252	2.189	20	5		GEBDMM
NC(=O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCC1	ZINC000809817733	653300055	/nfs/dbraw/zinc/30/00/55/653300055.db2.gz	MIOWUEPQNFGNCM-UHFFFAOYSA-N	-1	1	396.252	2.226	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)cc1Cl	ZINC000809823536	653302521	/nfs/dbraw/zinc/30/25/21/653302521.db2.gz	OKHGWHVQDIFFMS-NSHDSACASA-N	-1	1	388.804	2.442	20	5		GEBDMM
CN(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cs1	ZINC000809824682	653302668	/nfs/dbraw/zinc/30/26/68/653302668.db2.gz	TWDKCIVQEHDSTJ-UHFFFAOYSA-N	-1	1	394.837	2.388	20	5		GEBDMM
COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1	ZINC000809828169	653304069	/nfs/dbraw/zinc/30/40/69/653304069.db2.gz	HMEGKLBMGPPQNV-UHFFFAOYSA-N	-1	1	399.252	2.376	20	5		GEBDMM
CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809828916	653304529	/nfs/dbraw/zinc/30/45/29/653304529.db2.gz	VFGTUMGLDKHZFZ-QMMMGPOBSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2cnccn2)c(Cl)cc1Cl	ZINC000809830087	653304792	/nfs/dbraw/zinc/30/47/92/653304792.db2.gz	RJYPRUIGRONEBQ-UHFFFAOYSA-N	-1	1	377.209	2.213	20	5		GEBDMM
CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809830756	653305733	/nfs/dbraw/zinc/30/57/33/653305733.db2.gz	CMBJHRFTOIQLJD-ZYHUDNBSSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000775547271	653316783	/nfs/dbraw/zinc/31/67/83/653316783.db2.gz	VJNGVHAALDANEX-ZETCQYMHSA-N	-1	1	399.180	2.029	20	5		GEBDMM
O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289305	653420118	/nfs/dbraw/zinc/42/01/18/653420118.db2.gz	YFVBRSLGZITUGJ-ZCFIWIBFSA-N	-1	1	394.686	2.071	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859340752	653444110	/nfs/dbraw/zinc/44/41/10/653444110.db2.gz	IGALZDRXVNCUSE-NMSKTSORSA-N	-1	1	393.259	2.448	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1	ZINC000859368006	653451412	/nfs/dbraw/zinc/45/14/12/653451412.db2.gz	QTXULIXXXMJOQO-CMPLNLGQSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000814285732	653626834	/nfs/dbraw/zinc/62/68/34/653626834.db2.gz	NBAVUKJSZXDCPS-VIFPVBQESA-N	-1	1	395.840	2.218	20	5		GEBDMM
COC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814979074	653641730	/nfs/dbraw/zinc/64/17/30/653641730.db2.gz	IEVQTSHDMZEVLQ-UHFFFAOYSA-N	-1	1	382.797	2.399	20	5		GEBDMM
COC(=O)C1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815011146	653643285	/nfs/dbraw/zinc/64/32/85/653643285.db2.gz	BPSGQWRCYATDPE-UHFFFAOYSA-N	-1	1	394.808	2.397	20	5		GEBDMM
CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000815029578	653646125	/nfs/dbraw/zinc/64/61/25/653646125.db2.gz	PHGGMNOYYXQMKM-ZCFIWIBFSA-N	-1	1	377.785	2.107	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccsc1	ZINC000815031264	653646351	/nfs/dbraw/zinc/64/63/51/653646351.db2.gz	PQZYBRUHQXZTLT-LLVKDONJSA-N	-1	1	380.806	2.461	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cnc2n1CCCC2	ZINC000815042852	653647590	/nfs/dbraw/zinc/64/75/90/653647590.db2.gz	RWCJCNRGESLDFC-UHFFFAOYSA-N	-1	1	388.808	2.399	20	5		GEBDMM
CC(C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000815041307	653647653	/nfs/dbraw/zinc/64/76/53/653647653.db2.gz	GTDDLPSRNNFCIB-UHFFFAOYSA-N	-1	1	393.824	2.067	20	5		GEBDMM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815046909	653647998	/nfs/dbraw/zinc/64/79/98/653647998.db2.gz	CHGMBTRUINCNGA-ZDUSSCGKSA-N	-1	1	380.825	2.463	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)(C)O	ZINC000815081562	653650278	/nfs/dbraw/zinc/65/02/78/653650278.db2.gz	IQXIFGPILICVFS-NSHDSACASA-N	-1	1	399.238	2.324	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1ccnc1	ZINC000840951413	653703314	/nfs/dbraw/zinc/70/33/14/653703314.db2.gz	WFYIMRFUTNOLIW-VIFPVBQESA-N	-1	1	376.797	2.198	20	5		GEBDMM
CC(C)C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-]	ZINC000818431581	653731514	/nfs/dbraw/zinc/73/15/14/653731514.db2.gz	WFIDKTRIEGXREQ-MRVPVSSYSA-N	-1	1	382.797	2.413	20	5		GEBDMM
CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841567473	653735674	/nfs/dbraw/zinc/73/56/74/653735674.db2.gz	RZANSCHRRSRIJU-ZETCQYMHSA-N	-1	1	384.241	2.093	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1cscn1	ZINC000795810303	653967957	/nfs/dbraw/zinc/96/79/57/653967957.db2.gz	BMENSSUACWWJPW-UHFFFAOYSA-N	-1	1	396.219	2.431	20	5		GEBDMM
Cn1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1	ZINC000795873158	653973396	/nfs/dbraw/zinc/97/33/96/653973396.db2.gz	LDTZHRKNKCWREE-UHFFFAOYSA-N	-1	1	392.206	2.313	20	5		GEBDMM
COC(=O)N1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000796170726	653989323	/nfs/dbraw/zinc/98/93/23/653989323.db2.gz	SVBKURBJPAOWBY-UHFFFAOYSA-N	-1	1	391.833	2.005	20	5		GEBDMM
CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC	ZINC000828048646	654019532	/nfs/dbraw/zinc/01/95/32/654019532.db2.gz	DRRSSBMBQXTPGG-SSDOTTSWSA-N	-1	1	385.225	2.379	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1	ZINC000798223863	654054250	/nfs/dbraw/zinc/05/42/50/654054250.db2.gz	WKTIXDUZZRUTCX-CQSZACIVSA-N	-1	1	378.834	2.460	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1	ZINC000798223862	654054349	/nfs/dbraw/zinc/05/43/49/654054349.db2.gz	WKTIXDUZZRUTCX-AWEZNQCLSA-N	-1	1	378.834	2.460	20	5		GEBDMM
COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)ccn1	ZINC000798224630	654054548	/nfs/dbraw/zinc/05/45/48/654054548.db2.gz	JIWQMWVCGCDTQR-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
CC1(C)OCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CO1	ZINC000831096808	654164003	/nfs/dbraw/zinc/16/40/03/654164003.db2.gz	KISIECXZWBFXTA-UHFFFAOYSA-N	-1	1	385.225	2.331	20	5		GEBDMM
CC1(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)OCCO1	ZINC000831101871	654164532	/nfs/dbraw/zinc/16/45/32/654164532.db2.gz	OLBDRADCFVCQNC-UHFFFAOYSA-N	-1	1	385.225	2.333	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]([C@H](CO)C1CC1)C1CC1	ZINC000832232292	654249682	/nfs/dbraw/zinc/24/96/82/654249682.db2.gz	PTBIZKFZLALKKC-BMIGLBTASA-N	-1	1	392.836	2.463	20	5		GEBDMM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832284175	654257201	/nfs/dbraw/zinc/25/72/01/654257201.db2.gz	MHKOTZNHHCHFCK-MWLCHTKSSA-N	-1	1	397.222	2.342	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1Cl	ZINC000921606407	654291920	/nfs/dbraw/zinc/29/19/20/654291920.db2.gz	BBDIZLSXDGBATA-AEJSXWLSSA-N	-1	1	376.793	2.257	20	5		GEBDMM
CCOCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000171420712	531906141	/nfs/dbraw/zinc/90/61/41/531906141.db2.gz	WFHUYCHLGYOIHR-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O	ZINC000121286399	532022404	/nfs/dbraw/zinc/02/24/04/532022404.db2.gz	JBIDUXHUVHUDGF-JOYOIKCWSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)F)s1	ZINC000121946540	532052574	/nfs/dbraw/zinc/05/25/74/532052574.db2.gz	SGLCEBYIRMLQQU-UHFFFAOYSA-N	-1	1	379.366	2.174	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000177383500	532169613	/nfs/dbraw/zinc/16/96/13/532169613.db2.gz	ANMSAEYDZLFYAC-SECBINFHSA-N	-1	1	381.801	2.330	20	5		GEBDMM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178742796	532211982	/nfs/dbraw/zinc/21/19/82/532211982.db2.gz	ZIOVYKBRILZEKC-LBPRGKRZSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CCOC(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000146507032	532298405	/nfs/dbraw/zinc/29/84/05/532298405.db2.gz	VBPQGFZPSQIWFU-UHFFFAOYSA-N	-1	1	391.833	2.147	20	5		GEBDMM
Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1	ZINC000189818920	532353841	/nfs/dbraw/zinc/35/38/41/532353841.db2.gz	RSFDDIUXLUMXBN-UHFFFAOYSA-N	-1	1	386.411	2.363	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589923252	532365307	/nfs/dbraw/zinc/36/53/07/532365307.db2.gz	UTYZFXNDQCEWGY-LDYMZIIASA-N	-1	1	388.751	2.372	20	5		GEBDMM
Cc1[n-][nH]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1I	ZINC000590398604	532369350	/nfs/dbraw/zinc/36/93/50/532369350.db2.gz	RILDSKJFKLQCDO-UHFFFAOYSA-N	-1	1	388.121	2.189	20	5		GEBDMM
CN1C(=O)[C@@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])Cc2ccccc21	ZINC000596363671	532592251	/nfs/dbraw/zinc/59/22/51/532592251.db2.gz	UXGDTOOZUTYJRY-JTQLQIEISA-N	-1	1	381.435	2.059	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c([N+](=O)[O-])n1	ZINC000533174573	532662436	/nfs/dbraw/zinc/66/24/36/532662436.db2.gz	TWCZOWKGKLSUBI-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O	ZINC000377296930	532649505	/nfs/dbraw/zinc/64/95/05/532649505.db2.gz	AFFDZNZJWARRKK-IAQYHMDHSA-N	-1	1	384.797	2.021	20	5		GEBDMM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000285564820	532691839	/nfs/dbraw/zinc/69/18/39/532691839.db2.gz	JIBRXTJLEMEFRG-XVKPBYJWSA-N	-1	1	397.222	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCOCC1CCC1	ZINC000613201109	532728710	/nfs/dbraw/zinc/72/87/10/532728710.db2.gz	COXWDIAVUZWWPW-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCCCO	ZINC000286420884	532746692	/nfs/dbraw/zinc/74/66/92/532746692.db2.gz	MIERNCWAXWIIIA-UHFFFAOYSA-N	-1	1	399.238	2.327	20	5		GEBDMM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000416442274	532877590	/nfs/dbraw/zinc/87/75/90/532877590.db2.gz	SSKIAJDTXUJDOS-SECBINFHSA-N	-1	1	396.265	2.205	20	5		GEBDMM
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000738259487	599207569	/nfs/dbraw/zinc/20/75/69/599207569.db2.gz	QFQMHCDVQMLMEU-MRXNPFEDSA-N	-1	1	383.393	2.058	20	5		GEBDMM
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000738259487	599207572	/nfs/dbraw/zinc/20/75/72/599207572.db2.gz	QFQMHCDVQMLMEU-MRXNPFEDSA-N	-1	1	383.393	2.058	20	5		GEBDMM
CCc1nn(Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000736706356	599246198	/nfs/dbraw/zinc/24/61/98/599246198.db2.gz	JSCIDPSSAQAKFY-UHFFFAOYSA-N	-1	1	389.803	2.158	20	5		GEBDMM
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823548135	599309916	/nfs/dbraw/zinc/30/99/16/599309916.db2.gz	UTCAYPJFIGPSJO-POHAHGRESA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823548135	599309918	/nfs/dbraw/zinc/30/99/18/599309918.db2.gz	UTCAYPJFIGPSJO-POHAHGRESA-N	-1	1	386.711	2.366	20	5		GEBDMM
C[C@H](CN(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000736570637	600363523	/nfs/dbraw/zinc/36/35/23/600363523.db2.gz	DNUAXKZCNRCCAC-SNVBAGLBSA-N	-1	1	378.410	2.309	20	5		GEBDMM
Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)N2CCOCC2)o1	ZINC000826283795	607450560	/nfs/dbraw/zinc/45/05/60/607450560.db2.gz	ATLCMCYQNUBVIW-INIZCTEOSA-N	-1	1	399.411	2.162	20	5		GEBDMM
Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)N2CCOCC2)o1	ZINC000826283795	607450561	/nfs/dbraw/zinc/45/05/61/607450561.db2.gz	ATLCMCYQNUBVIW-INIZCTEOSA-N	-1	1	399.411	2.162	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-]	ZINC000831435474	600688325	/nfs/dbraw/zinc/68/83/25/600688325.db2.gz	YOKANOKMGNROIK-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
CN(CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)Cc1ccc(F)cc1	ZINC000830785377	601147537	/nfs/dbraw/zinc/14/75/37/601147537.db2.gz	QJEHKFNCSDCWEC-UHFFFAOYSA-N	-1	1	375.356	2.294	20	5		GEBDMM
C[C@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000827741666	601852457	/nfs/dbraw/zinc/85/24/57/601852457.db2.gz	PFACVCHMTDNHDO-ZDUSSCGKSA-N	-1	1	392.433	2.445	20	5		GEBDMM
Cc1ccc(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000826285035	607574318	/nfs/dbraw/zinc/57/43/18/607574318.db2.gz	NZDVJIWHAUTDKC-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825194411	607586916	/nfs/dbraw/zinc/58/69/16/607586916.db2.gz	QOSQZWBTRIKMMX-MNOVXSKESA-N	-1	1	380.430	2.022	20	5		GEBDMM
CC(C)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824216196	607607924	/nfs/dbraw/zinc/60/79/24/607607924.db2.gz	OVTLIQUYGUTWOH-RYUDHWBXSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000825717827	607616518	/nfs/dbraw/zinc/61/65/18/607616518.db2.gz	QXLBYAIAMSQBHD-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000825717827	607616519	/nfs/dbraw/zinc/61/65/19/607616519.db2.gz	QXLBYAIAMSQBHD-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
COC(=O)c1cccc2nc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH]c21	ZINC000833717170	604867748	/nfs/dbraw/zinc/86/77/48/604867748.db2.gz	VWEINWGPAVHIMZ-UHFFFAOYSA-N	-1	1	384.304	2.208	20	5		GEBDMM
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833790549	605445921	/nfs/dbraw/zinc/44/59/21/605445921.db2.gz	PHYZAFWQCFLVEK-ZOBORPQBSA-N	-1	1	376.413	2.290	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833908005	605450203	/nfs/dbraw/zinc/45/02/03/605450203.db2.gz	YXRNKUDMRREIGL-AEGPPILISA-N	-1	1	376.413	2.210	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OCC(F)(F)F)nc1	ZINC000823624919	606698798	/nfs/dbraw/zinc/69/87/98/606698798.db2.gz	KUYBQGFGAKRRSC-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OCC(F)(F)F)nc1	ZINC000823624919	606698800	/nfs/dbraw/zinc/69/88/00/606698800.db2.gz	KUYBQGFGAKRRSC-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000823621144	606700257	/nfs/dbraw/zinc/70/02/57/606700257.db2.gz	WTWVWOWCVWOOJZ-ZDUSSCGKSA-N	-1	1	387.787	2.401	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccc(Cl)cc2)C1	ZINC000823621144	606700258	/nfs/dbraw/zinc/70/02/58/606700258.db2.gz	WTWVWOWCVWOOJZ-ZDUSSCGKSA-N	-1	1	387.787	2.401	20	5		GEBDMM
CC[C@H](C)NC(=O)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820876713	606701170	/nfs/dbraw/zinc/70/11/70/606701170.db2.gz	SKTQFODGAXMGBZ-JTQLQIEISA-N	-1	1	382.384	2.442	20	5		GEBDMM
CC[C@H](C)NC(=O)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820876713	606701172	/nfs/dbraw/zinc/70/11/72/606701172.db2.gz	SKTQFODGAXMGBZ-JTQLQIEISA-N	-1	1	382.384	2.442	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000823619739	606707444	/nfs/dbraw/zinc/70/74/44/606707444.db2.gz	AHNUZAXWBUFPGJ-CYBMUJFWSA-N	-1	1	389.322	2.026	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000823619739	606707445	/nfs/dbraw/zinc/70/74/45/606707445.db2.gz	AHNUZAXWBUFPGJ-CYBMUJFWSA-N	-1	1	389.322	2.026	20	5		GEBDMM
C[C@@H]1COCCN1c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820813259	606711645	/nfs/dbraw/zinc/71/16/45/606711645.db2.gz	CFZZTEREGGDPNN-LLVKDONJSA-N	-1	1	382.384	2.139	20	5		GEBDMM
C[C@@H]1COCCN1c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820813259	606711647	/nfs/dbraw/zinc/71/16/47/606711647.db2.gz	CFZZTEREGGDPNN-LLVKDONJSA-N	-1	1	382.384	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(N2CCSCC2)cc1	ZINC000823624941	606712924	/nfs/dbraw/zinc/71/29/24/606712924.db2.gz	LQNWCBYMXRMTRP-UHFFFAOYSA-N	-1	1	384.425	2.467	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(N2CCSCC2)cc1	ZINC000823624941	606712926	/nfs/dbraw/zinc/71/29/26/606712926.db2.gz	LQNWCBYMXRMTRP-UHFFFAOYSA-N	-1	1	384.425	2.467	20	5		GEBDMM
CC(C)(C)OC(=O)C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000819928029	606723808	/nfs/dbraw/zinc/72/38/08/606723808.db2.gz	GRWVJYYCNNJYFD-LLVKDONJSA-N	-1	1	389.416	2.118	20	5		GEBDMM
CC(C)(C)OC(=O)C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000819928029	606723809	/nfs/dbraw/zinc/72/38/09/606723809.db2.gz	GRWVJYYCNNJYFD-LLVKDONJSA-N	-1	1	389.416	2.118	20	5		GEBDMM
Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000822450029	606812838	/nfs/dbraw/zinc/81/28/38/606812838.db2.gz	ZRTUVCUAYKOCKK-UHFFFAOYSA-N	-1	1	394.351	2.423	20	5		GEBDMM
Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1	ZINC000822450029	606812840	/nfs/dbraw/zinc/81/28/40/606812840.db2.gz	ZRTUVCUAYKOCKK-UHFFFAOYSA-N	-1	1	394.351	2.423	20	5		GEBDMM
CCS[C@@H](C)c1noc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1	ZINC000821449729	607042996	/nfs/dbraw/zinc/04/29/96/607042996.db2.gz	XCFDWBYFFTUXFK-QMMMGPOBSA-N	-1	1	391.417	2.003	20	5		GEBDMM
CCS[C@@H](C)c1noc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000821449729	607042997	/nfs/dbraw/zinc/04/29/97/607042997.db2.gz	XCFDWBYFFTUXFK-QMMMGPOBSA-N	-1	1	391.417	2.003	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(O)c(Br)c1	ZINC000823624907	607043378	/nfs/dbraw/zinc/04/33/78/607043378.db2.gz	KCCUUPCLEQAARF-UHFFFAOYSA-N	-1	1	392.173	2.250	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(O)c(Br)c1	ZINC000823624907	607043379	/nfs/dbraw/zinc/04/33/79/607043379.db2.gz	KCCUUPCLEQAARF-UHFFFAOYSA-N	-1	1	392.173	2.250	20	5		GEBDMM
COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC(F)F	ZINC000821717651	607164772	/nfs/dbraw/zinc/16/47/72/607164772.db2.gz	SAQZWVHIYFRVDU-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC(F)F	ZINC000821717651	607164773	/nfs/dbraw/zinc/16/47/73/607164773.db2.gz	SAQZWVHIYFRVDU-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000823621017	607166560	/nfs/dbraw/zinc/16/65/60/607166560.db2.gz	VRSWJVZHROXQCH-UHFFFAOYSA-N	-1	1	391.395	2.430	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000823621017	607166561	/nfs/dbraw/zinc/16/65/61/607166561.db2.gz	VRSWJVZHROXQCH-UHFFFAOYSA-N	-1	1	391.395	2.430	20	5		GEBDMM
C[C@H](CC(=O)OCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000824393840	607811079	/nfs/dbraw/zinc/81/10/79/607811079.db2.gz	UOGLGOYMOZBRQN-LLVKDONJSA-N	-1	1	383.368	2.104	20	5		GEBDMM
C[C@H](CC(=O)OCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000824393840	607811080	/nfs/dbraw/zinc/81/10/80/607811080.db2.gz	UOGLGOYMOZBRQN-LLVKDONJSA-N	-1	1	383.368	2.104	20	5		GEBDMM
COc1ccc([C@H](OC)[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826189675	608239096	/nfs/dbraw/zinc/23/90/96/608239096.db2.gz	BCCJESKCNSIYNT-ZUZCIYMTSA-N	-1	1	385.384	2.367	20	5		GEBDMM
COc1ccc([C@H](OC)[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826189675	608239097	/nfs/dbraw/zinc/23/90/97/608239097.db2.gz	BCCJESKCNSIYNT-ZUZCIYMTSA-N	-1	1	385.384	2.367	20	5		GEBDMM
COc1ccc([C@H](OC)[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826189674	608239150	/nfs/dbraw/zinc/23/91/50/608239150.db2.gz	BCCJESKCNSIYNT-MEBBXXQBSA-N	-1	1	385.384	2.367	20	5		GEBDMM
COc1ccc([C@H](OC)[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826189674	608239151	/nfs/dbraw/zinc/23/91/51/608239151.db2.gz	BCCJESKCNSIYNT-MEBBXXQBSA-N	-1	1	385.384	2.367	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCc2ccc(F)cc2)CC1	ZINC000826496860	608558940	/nfs/dbraw/zinc/55/89/40/608558940.db2.gz	LWOMZNHTGNICLU-UHFFFAOYSA-N	-1	1	399.386	2.495	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCc2ccc(F)cc2)CC1	ZINC000826496860	608558942	/nfs/dbraw/zinc/55/89/42/608558942.db2.gz	LWOMZNHTGNICLU-UHFFFAOYSA-N	-1	1	399.386	2.495	20	5		GEBDMM
C[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824897891	608565068	/nfs/dbraw/zinc/56/50/68/608565068.db2.gz	CKFOBEZTCKDMAC-UTUOFQBUSA-N	-1	1	392.441	2.117	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])n1	ZINC000451971514	650159474	/nfs/dbraw/zinc/15/94/74/650159474.db2.gz	ZTOVIDSSJDCODW-WDEREUQCSA-N	-1	1	386.455	2.071	20	5		GEBDMM
Cc1cc(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])on1	ZINC000511431434	650537246	/nfs/dbraw/zinc/53/72/46/650537246.db2.gz	WPBCYXAFVUMZNV-UHFFFAOYSA-N	-1	1	390.215	2.175	20	5		GEBDMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1[N+](=O)[O-]	ZINC000523728388	650637632	/nfs/dbraw/zinc/63/76/32/650637632.db2.gz	SRUFBYNLHUIHEX-DEOSSOPVSA-N	-1	1	384.435	2.283	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])n1	ZINC000532948932	650755490	/nfs/dbraw/zinc/75/54/90/650755490.db2.gz	GAIKAINUJFUDFS-NSHDSACASA-N	-1	1	386.430	2.466	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1	ZINC000534408919	650774412	/nfs/dbraw/zinc/77/44/12/650774412.db2.gz	FMCWOJHJLOQUQI-ZDUSSCGKSA-N	-1	1	384.841	2.378	20	5		GEBDMM
CC1(C)CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])(C(N)=O)CC1	ZINC000534628962	650778642	/nfs/dbraw/zinc/77/86/42/650778642.db2.gz	BFHJVUFEFSFOMZ-UHFFFAOYSA-N	-1	1	389.861	2.351	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)s1	ZINC000066000540	642894073	/nfs/dbraw/zinc/89/40/73/642894073.db2.gz	MZVLDKNMMDOKSI-UHFFFAOYSA-N	-1	1	397.356	2.471	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000538119256	650830354	/nfs/dbraw/zinc/83/03/54/650830354.db2.gz	BYNLIEIPKGONGD-OCCSQVGLSA-N	-1	1	383.813	2.452	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccco1	ZINC000119320800	643546084	/nfs/dbraw/zinc/54/60/84/643546084.db2.gz	CFEOGOHEHMOPSO-UHFFFAOYSA-N	-1	1	375.200	2.471	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccc(Cl)c(F)c2)s1	ZINC000135020977	643910727	/nfs/dbraw/zinc/91/07/27/643910727.db2.gz	HFDWCMFPAUUAIR-SNVBAGLBSA-N	-1	1	380.806	2.461	20	5		GEBDMM
Cn1cnc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1Cl	ZINC000153189630	643979484	/nfs/dbraw/zinc/97/94/84/643979484.db2.gz	TUCGKXYEWKGUGC-UHFFFAOYSA-N	-1	1	382.789	2.173	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)s1	ZINC000188559100	645119157	/nfs/dbraw/zinc/11/91/57/645119157.db2.gz	PPNUEIZTQKILNP-KWQFWETISA-N	-1	1	388.389	2.418	20	5		GEBDMM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000277635540	646455108	/nfs/dbraw/zinc/45/51/08/646455108.db2.gz	CNFJHMNWHBNCKD-WCBMZHEXSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CC(=O)NC1CCC([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000289308298	646930753	/nfs/dbraw/zinc/93/07/53/646930753.db2.gz	JLTCSQSQFGYXEU-UHFFFAOYSA-N	-1	1	393.824	2.113	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000330452677	647337480	/nfs/dbraw/zinc/33/74/80/647337480.db2.gz	VAYCHTQKJGHWAK-MNOVXSKESA-N	-1	1	389.861	2.316	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCO1	ZINC000330530702	647342529	/nfs/dbraw/zinc/34/25/29/647342529.db2.gz	MXVBSZQSUQWBJN-JTQLQIEISA-N	-1	1	379.232	2.205	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416423771	648123833	/nfs/dbraw/zinc/12/38/33/648123833.db2.gz	XFTXDHNBSSJJAG-LLVKDONJSA-N	-1	1	382.316	2.001	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccn(C)n1	ZINC000416552344	648169358	/nfs/dbraw/zinc/16/93/58/648169358.db2.gz	BFYVYJCZVAJXMA-QMMMGPOBSA-N	-1	1	378.332	2.387	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(C)C	ZINC000416632511	648194631	/nfs/dbraw/zinc/19/46/31/648194631.db2.gz	WMSUYZMXVKPSKI-ZWNOBZJWSA-N	-1	1	395.275	2.431	20	5		GEBDMM
CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443302076	648871018	/nfs/dbraw/zinc/87/10/18/648871018.db2.gz	OHFRBMDUZZQOTF-RNCFNFMXSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000725828381	651480798	/nfs/dbraw/zinc/48/07/98/651480798.db2.gz	DFOZEKASGYJDQY-SSDOTTSWSA-N	-1	1	376.740	2.494	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nccs1	ZINC000610006679	651639992	/nfs/dbraw/zinc/63/99/92/651639992.db2.gz	XOIMIQWBTBROAF-VIFPVBQESA-N	-1	1	385.423	2.252	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2	ZINC000610262558	651652425	/nfs/dbraw/zinc/65/24/25/651652425.db2.gz	VHOXEGOQNGMLCN-UHFFFAOYSA-N	-1	1	382.467	2.236	20	5		GEBDMM
COCCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000610590368	651672565	/nfs/dbraw/zinc/67/25/65/651672565.db2.gz	WVJXSGKCRAGACV-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
CC(C)(CCCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611314463	651720130	/nfs/dbraw/zinc/72/01/30/651720130.db2.gz	FMRQRNUTKSFFNX-UHFFFAOYSA-N	-1	1	395.275	2.434	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@@H]1CCOC1	ZINC000612165633	651747595	/nfs/dbraw/zinc/74/75/95/651747595.db2.gz	OIGHWUSTDXHHGL-SECBINFHSA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOCC1CCOCC1	ZINC000740894083	651929053	/nfs/dbraw/zinc/92/90/53/651929053.db2.gz	JAFIALAYIMXQEA-UHFFFAOYSA-N	-1	1	392.861	2.360	20	5		GEBDMM
CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl	ZINC000750943013	652314689	/nfs/dbraw/zinc/31/46/89/652314689.db2.gz	FXCQTQQWHZIMND-UHFFFAOYSA-N	-1	1	389.773	2.224	20	5		GEBDMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751401603	652345445	/nfs/dbraw/zinc/34/54/45/652345445.db2.gz	BMQOODSMVWZMJY-KWQFWETISA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000599204899	652853895	/nfs/dbraw/zinc/85/38/95/652853895.db2.gz	SYWFJRXKSZIVQU-QMMMGPOBSA-N	-1	1	378.332	2.387	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCNc2cnccn2)c(Cl)cc1Cl	ZINC000809810338	653297412	/nfs/dbraw/zinc/29/74/12/653297412.db2.gz	URXSUYXPFBKJMX-UHFFFAOYSA-N	-1	1	392.224	2.082	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccccn2)c(Cl)cc1Cl	ZINC000809829463	653304953	/nfs/dbraw/zinc/30/49/53/653304953.db2.gz	HCYJDDVXIBEADP-GFCCVEGCSA-N	-1	1	392.220	2.309	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccccn2)c(Cl)cc1Cl	ZINC000809829465	653305113	/nfs/dbraw/zinc/30/51/13/653305113.db2.gz	HCYJDDVXIBEADP-LBPRGKRZSA-N	-1	1	392.220	2.309	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC(F)F	ZINC000859429630	653463915	/nfs/dbraw/zinc/46/39/15/653463915.db2.gz	YZZHWGGWRZRNNJ-UHFFFAOYSA-N	-1	1	392.211	2.377	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000814980914	653641875	/nfs/dbraw/zinc/64/18/75/653641875.db2.gz	UUIPREICCGWINH-SNVBAGLBSA-N	-1	1	396.824	2.251	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCCn1ccnc1	ZINC000815031446	653646296	/nfs/dbraw/zinc/64/62/96/653646296.db2.gz	UDOQNKCNEXDUMR-UHFFFAOYSA-N	-1	1	376.797	2.343	20	5		GEBDMM
C[N-]S(=O)(=O)c1ccc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)o1	ZINC000784938903	653701793	/nfs/dbraw/zinc/70/17/93/653701793.db2.gz	RAOVPMKRSSMNKX-UHFFFAOYSA-N	-1	1	386.407	2.045	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCC1(O)CCC1	ZINC000817147172	653704011	/nfs/dbraw/zinc/70/40/11/653704011.db2.gz	XXJKRQRLSBNWAE-UHFFFAOYSA-N	-1	1	393.259	2.331	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2cc(F)cc(Cl)c2)s1	ZINC000785395457	653708208	/nfs/dbraw/zinc/70/82/08/653708208.db2.gz	CKOULJNTCKPZKT-JTQLQIEISA-N	-1	1	380.806	2.461	20	5		GEBDMM
CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841532993	653728700	/nfs/dbraw/zinc/72/87/00/653728700.db2.gz	BETQNAXWXWTGIO-SNVBAGLBSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000841534476	653729030	/nfs/dbraw/zinc/72/90/30/653729030.db2.gz	KIKUIFXYNIUBTN-JTQLQIEISA-N	-1	1	383.209	2.132	20	5		GEBDMM
Cn1nccc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000786975972	653732246	/nfs/dbraw/zinc/73/22/46/653732246.db2.gz	RGMGZEMEBYTBPO-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
CCn1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1	ZINC000841555053	653732448	/nfs/dbraw/zinc/73/24/48/653732448.db2.gz	ZBWJXMSJXRVHNC-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000841567862	653735702	/nfs/dbraw/zinc/73/57/02/653735702.db2.gz	VIALVNACFZELIO-SSDOTTSWSA-N	-1	1	384.241	2.093	20	5		GEBDMM
COCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000787920812	653746263	/nfs/dbraw/zinc/74/62/63/653746263.db2.gz	WZVWWOLHWWLYSU-ZETCQYMHSA-N	-1	1	385.211	2.200	20	5		GEBDMM
CN1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000819895068	653760831	/nfs/dbraw/zinc/76/08/31/653760831.db2.gz	HFCGQVPWZOHWCO-MRVPVSSYSA-N	-1	1	396.252	2.048	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000795206958	653938855	/nfs/dbraw/zinc/93/88/55/653938855.db2.gz	JCXGBYOEGIDILN-VIFPVBQESA-N	-1	1	393.849	2.440	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1	ZINC000795277597	653941913	/nfs/dbraw/zinc/94/19/13/653941913.db2.gz	DUBDSLWVNBYFFV-LLVKDONJSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795847483	653969935	/nfs/dbraw/zinc/96/99/35/653969935.db2.gz	TUVVZKUMOYCFMS-SSDOTTSWSA-N	-1	1	385.211	2.200	20	5		GEBDMM
CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795853141	653970721	/nfs/dbraw/zinc/97/07/21/653970721.db2.gz	FWIMIFMKVDHSLB-MRVPVSSYSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795920070	653977405	/nfs/dbraw/zinc/97/74/05/653977405.db2.gz	YFOCVQVMYKKKFT-LLVKDONJSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795952148	653979647	/nfs/dbraw/zinc/97/96/47/653979647.db2.gz	VOEUKRVWWQIUTO-BQBZGAKWSA-N	-1	1	385.211	2.198	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC000848475991	653980244	/nfs/dbraw/zinc/98/02/44/653980244.db2.gz	VETAOGFPEIMPCD-UTUOFQBUSA-N	-1	1	391.877	2.024	20	5		GEBDMM
CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O	ZINC000827814715	654008922	/nfs/dbraw/zinc/00/89/22/654008922.db2.gz	HNQBYWGHXFJROI-SNVBAGLBSA-N	-1	1	393.824	2.065	20	5		GEBDMM
CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)OC	ZINC000828049122	654019757	/nfs/dbraw/zinc/01/97/57/654019757.db2.gz	LVRIDDLYQLKWDF-SSDOTTSWSA-N	-1	1	385.225	2.379	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1SC	ZINC000828159492	654026910	/nfs/dbraw/zinc/02/69/10/654026910.db2.gz	JGNKGAAJHAGVJA-XWIASGKRSA-N	-1	1	380.875	2.436	20	5		GEBDMM
COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000849468625	654043291	/nfs/dbraw/zinc/04/32/91/654043291.db2.gz	ZMOGEESGSNIYDU-JTQLQIEISA-N	-1	1	376.818	2.116	20	5		GEBDMM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000797845610	654043983	/nfs/dbraw/zinc/04/39/83/654043983.db2.gz	TVIYVCDFXPOUJE-KOLCDFICSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)cc1Cl	ZINC000798227607	654055711	/nfs/dbraw/zinc/05/57/11/654055711.db2.gz	VOMLDWGYDBPNGU-LLVKDONJSA-N	-1	1	388.804	2.269	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)cc1Cl	ZINC000798229043	654056038	/nfs/dbraw/zinc/05/60/38/654056038.db2.gz	WWIYTOHMHACONE-LLVKDONJSA-N	-1	1	388.804	2.269	20	5		GEBDMM
CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000831877145	654215317	/nfs/dbraw/zinc/21/53/17/654215317.db2.gz	BRMBLTKSWJGKRE-LLVKDONJSA-N	-1	1	397.222	2.342	20	5		GEBDMM
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[N@@H+](C)C1CC1	ZINC000163275699	531854669	/nfs/dbraw/zinc/85/46/69/531854669.db2.gz	OUEZKFWSZIFKDT-VIFPVBQESA-N	-1	1	381.376	2.375	20	5		GEBDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc(Cl)ccc1F	ZINC000119257889	531963794	/nfs/dbraw/zinc/96/37/94/531963794.db2.gz	GWLWRMWFQLEZIF-UHFFFAOYSA-N	-1	1	387.820	2.455	20	5		GEBDMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000122514961	532072760	/nfs/dbraw/zinc/07/27/60/532072760.db2.gz	YCDALNBPFDKUAK-SNVBAGLBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CO	ZINC000178915635	532217572	/nfs/dbraw/zinc/21/75/72/532217572.db2.gz	GWZYEKSPPBIYQB-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCOCC1	ZINC000183377400	532324231	/nfs/dbraw/zinc/32/42/31/532324231.db2.gz	ZXVFLOCYIPKULS-JTQLQIEISA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO	ZINC000188918954	532350275	/nfs/dbraw/zinc/35/02/75/532350275.db2.gz	PLAQBAKKSNCTRZ-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c1	ZINC000516319905	532383912	/nfs/dbraw/zinc/38/39/12/532383912.db2.gz	IZFXUNFZYBKNGE-UHFFFAOYSA-N	-1	1	396.328	2.121	20	5		GEBDMM
Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000281150563	532420357	/nfs/dbraw/zinc/42/03/57/532420357.db2.gz	KOKXPASFCPKXIV-NSHDSACASA-N	-1	1	388.808	2.477	20	5		GEBDMM
CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295254789	532426193	/nfs/dbraw/zinc/42/61/93/532426193.db2.gz	ZMWKBSTTYVMEHZ-RCOVLWMOSA-N	-1	1	389.282	2.292	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC000594471827	532510125	/nfs/dbraw/zinc/51/01/25/532510125.db2.gz	NIDLBYDOKSHWGP-UTUOFQBUSA-N	-1	1	391.877	2.024	20	5		GEBDMM
C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000296289326	532511931	/nfs/dbraw/zinc/51/19/31/532511931.db2.gz	RORIHFSXNIVVGT-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000471547770	532552682	/nfs/dbraw/zinc/55/26/82/532552682.db2.gz	OCTRKECZEMEDED-UHFFFAOYSA-N	-1	1	392.846	2.109	20	5		GEBDMM
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000595355828	532560304	/nfs/dbraw/zinc/56/03/04/532560304.db2.gz	RQRFOZFSAZZTQB-JTQLQIEISA-N	-1	1	381.376	2.376	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000249453985	532566268	/nfs/dbraw/zinc/56/62/68/532566268.db2.gz	CYUVJYOWOJRVKE-HOSYDEDBSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@@H]1O	ZINC000377287017	532648793	/nfs/dbraw/zinc/64/87/93/532648793.db2.gz	CLNMBUNKRBTWNU-NHYWBVRUSA-N	-1	1	384.797	2.021	20	5		GEBDMM
Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000599317243	532657135	/nfs/dbraw/zinc/65/71/35/532657135.db2.gz	ROJGNFZNLDXPMW-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])n1	ZINC000532854415	532658479	/nfs/dbraw/zinc/65/84/79/532658479.db2.gz	IECVTLSPPUSJJG-GZMMTYOYSA-N	-1	1	388.808	2.438	20	5		GEBDMM
CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000538456699	532711616	/nfs/dbraw/zinc/71/16/16/532711616.db2.gz	GLWHLFDJLMJPOK-JTQLQIEISA-N	-1	1	394.471	2.072	20	5		GEBDMM
CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C	ZINC000440399007	532712520	/nfs/dbraw/zinc/71/25/20/532712520.db2.gz	PDKWZGYVMYSRMK-NEPJUHHUSA-N	-1	1	393.259	2.449	20	5		GEBDMM
O=C(N[C@@H](CCO)c1ccccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445162347	532752298	/nfs/dbraw/zinc/75/22/98/532752298.db2.gz	QOZKUIBJEFXAGF-LBPRGKRZSA-N	-1	1	396.197	2.311	20	5		GEBDMM
C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000331200085	532835826	/nfs/dbraw/zinc/83/58/26/532835826.db2.gz	WGYLJSUHELFUNP-OLZOCXBDSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1	ZINC000289064889	532846560	/nfs/dbraw/zinc/84/65/60/532846560.db2.gz	FFGYNJBTVCAMFV-CYBMUJFWSA-N	-1	1	378.834	2.460	20	5		GEBDMM
C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290722612	532887732	/nfs/dbraw/zinc/88/77/32/532887732.db2.gz	KMTYQVMTGDTINW-RKDXNWHRSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC2CCOCC2)cc1Cl	ZINC000290790016	532889265	/nfs/dbraw/zinc/88/92/65/532889265.db2.gz	QEXNPLBHZMYNEV-UHFFFAOYSA-N	-1	1	396.824	2.251	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1	ZINC000361180605	532892323	/nfs/dbraw/zinc/89/23/23/532892323.db2.gz	WQOMPEQXHYHMCA-GWCFXTLKSA-N	-1	1	391.243	2.203	20	5		GEBDMM
Nc1nc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)ncc1[N+](=O)[O-]	ZINC000737776891	598854560	/nfs/dbraw/zinc/85/45/60/598854560.db2.gz	SNAFPKZCNRCDNK-UHFFFAOYSA-N	-1	1	395.408	2.488	20	5		GEBDMM
COC(=O)c1cc(Oc2c3ccccc3nnc2-c2nn[n-]n2)ccc1[N+](=O)[O-]	ZINC000736951283	598969612	/nfs/dbraw/zinc/96/96/12/598969612.db2.gz	QSPKCYQTUVCOFR-UHFFFAOYSA-N	-1	1	393.319	2.297	20	5		GEBDMM
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000738360517	599040938	/nfs/dbraw/zinc/04/09/38/599040938.db2.gz	QJMHMJCAJATPGZ-UHFFFAOYSA-N	-1	1	380.773	2.229	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCOC2(CCSCC2)C1	ZINC000823620767	607331491	/nfs/dbraw/zinc/33/14/91/607331491.db2.gz	PTHCVXGVXTUBAN-JTQLQIEISA-N	-1	1	377.430	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCOC2(CCSCC2)C1	ZINC000823620767	607331492	/nfs/dbraw/zinc/33/14/92/607331492.db2.gz	PTHCVXGVXTUBAN-JTQLQIEISA-N	-1	1	377.430	2.027	20	5		GEBDMM
CCOCCN1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1CC	ZINC000737177919	600259806	/nfs/dbraw/zinc/25/98/06/600259806.db2.gz	WLJRZRXXPHDDNA-GFCCVEGCSA-N	-1	1	396.400	2.138	20	5		GEBDMM
O=C(CC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)N1CCCC1	ZINC000826404819	607452635	/nfs/dbraw/zinc/45/26/35/607452635.db2.gz	MDNBYOHSWMWZFH-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
O=C(CC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)N1CCCC1	ZINC000826404819	607452637	/nfs/dbraw/zinc/45/26/37/607452637.db2.gz	MDNBYOHSWMWZFH-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C	ZINC000485221313	600690685	/nfs/dbraw/zinc/69/06/85/600690685.db2.gz	PTQFAYFTARBDRX-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
O=C([O-])c1sc2ccccc2c1CNS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000833347495	600738226	/nfs/dbraw/zinc/73/82/26/600738226.db2.gz	HSBPSUUWIHALFS-UHFFFAOYSA-N	-1	1	393.402	2.381	20	5		GEBDMM
C[C@](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)(C(=O)[O-])C1CC1	ZINC000827727662	601033596	/nfs/dbraw/zinc/03/35/96/601033596.db2.gz	KWNNNEMLHFYFPE-QGZVFWFLSA-N	-1	1	390.421	2.500	20	5		GEBDMM
O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000833344928	601383514	/nfs/dbraw/zinc/38/35/14/601383514.db2.gz	MJUZUDKYJUHLTH-UHFFFAOYSA-N	-1	1	375.721	2.281	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1	ZINC000826499661	607572970	/nfs/dbraw/zinc/57/29/70/607572970.db2.gz	RPFKZDQTJLXKRQ-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1	ZINC000826499643	607589129	/nfs/dbraw/zinc/58/91/29/607589129.db2.gz	QTNXINAQEVNPBQ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1	ZINC000826283233	607596097	/nfs/dbraw/zinc/59/60/97/607596097.db2.gz	NBBLENFOVUOBOW-VIFPVBQESA-N	-1	1	394.438	2.184	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F	ZINC000826499802	607600122	/nfs/dbraw/zinc/60/01/22/607600122.db2.gz	YBVXHJRLHRPMMS-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1	ZINC000825149359	607600615	/nfs/dbraw/zinc/60/06/15/607600615.db2.gz	XJTBXSYIQBUBPA-GFCCVEGCSA-N	-1	1	388.409	2.205	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1	ZINC000829225901	603837103	/nfs/dbraw/zinc/83/71/03/603837103.db2.gz	UKXFFIBHIDIHCR-UHFFFAOYSA-N	-1	1	380.401	2.053	20	5		GEBDMM
Cc1nn(CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870911	603908686	/nfs/dbraw/zinc/90/86/86/603908686.db2.gz	OLCSGMQZAQNQQV-XJKSGUPXSA-N	-1	1	388.428	2.460	20	5		GEBDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1	ZINC000833627095	605053336	/nfs/dbraw/zinc/05/33/36/605053336.db2.gz	TVOMLRQIIUJZCA-OAHLLOKOSA-N	-1	1	392.456	2.108	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000824453085	605373881	/nfs/dbraw/zinc/37/38/81/605373881.db2.gz	HFGDXCQJOSPSSM-VXGBXAGGSA-N	-1	1	379.417	2.436	20	5		GEBDMM
O=C([O-])N1CCC(CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000834078582	605608155	/nfs/dbraw/zinc/60/81/55/605608155.db2.gz	MLBHKNBZXIIGPJ-UHFFFAOYSA-N	-1	1	390.440	2.133	20	5		GEBDMM
C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	ZINC000820456947	606644640	/nfs/dbraw/zinc/64/46/40/606644640.db2.gz	XQSNPWSAZDMXPJ-JTQLQIEISA-N	-1	1	388.409	2.352	20	5		GEBDMM
CCN(CC)C(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821175113	606697986	/nfs/dbraw/zinc/69/79/86/606697986.db2.gz	DEGOFZQWXZXDDY-UHFFFAOYSA-N	-1	1	396.411	2.264	20	5		GEBDMM
CCN(CC)C(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821175113	606697988	/nfs/dbraw/zinc/69/79/88/606697988.db2.gz	DEGOFZQWXZXDDY-UHFFFAOYSA-N	-1	1	396.411	2.264	20	5		GEBDMM
CCn1c(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccccc21	ZINC000821564189	606702727	/nfs/dbraw/zinc/70/27/27/606702727.db2.gz	WNCWRUYZRSWNJU-UHFFFAOYSA-N	-1	1	379.384	2.194	20	5		GEBDMM
CCn1c(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccccc21	ZINC000821564189	606702728	/nfs/dbraw/zinc/70/27/28/606702728.db2.gz	WNCWRUYZRSWNJU-UHFFFAOYSA-N	-1	1	379.384	2.194	20	5		GEBDMM
Cc1ccc(NC(=O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Cl)c1	ZINC000822242276	606703493	/nfs/dbraw/zinc/70/34/93/606703493.db2.gz	GNLONUCHTTZDKH-UHFFFAOYSA-N	-1	1	388.775	2.182	20	5		GEBDMM
Cc1ccc(NC(=O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(Cl)c1	ZINC000822242276	606703494	/nfs/dbraw/zinc/70/34/94/606703494.db2.gz	GNLONUCHTTZDKH-UHFFFAOYSA-N	-1	1	388.775	2.182	20	5		GEBDMM
COc1ccc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000821787414	606708221	/nfs/dbraw/zinc/70/82/21/606708221.db2.gz	SYIKMOZQWOBLEK-JTQLQIEISA-N	-1	1	385.384	2.230	20	5		GEBDMM
COc1ccc(C[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000821787414	606708223	/nfs/dbraw/zinc/70/82/23/606708223.db2.gz	SYIKMOZQWOBLEK-JTQLQIEISA-N	-1	1	385.384	2.230	20	5		GEBDMM
Cc1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1C	ZINC000822241334	607156226	/nfs/dbraw/zinc/15/62/26/607156226.db2.gz	RZDQJKOZTXWTOM-UHFFFAOYSA-N	-1	1	388.409	2.217	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([C@H](O)c2ccccc2)CC1	ZINC000823620188	607166548	/nfs/dbraw/zinc/16/65/48/607166548.db2.gz	HXCCIYTYVQQBSV-MRXNPFEDSA-N	-1	1	381.396	2.120	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([C@H](O)c2ccccc2)CC1	ZINC000823620188	607166549	/nfs/dbraw/zinc/16/65/49/607166549.db2.gz	HXCCIYTYVQQBSV-MRXNPFEDSA-N	-1	1	381.396	2.120	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000447028595	649995095	/nfs/dbraw/zinc/99/50/95/649995095.db2.gz	OOHCNDPGIWNOQR-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C	ZINC000451736434	650137651	/nfs/dbraw/zinc/13/76/51/650137651.db2.gz	QOKRJQIWHAIFIA-LBPRGKRZSA-N	-1	1	377.850	2.029	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])n1	ZINC000451971512	650159401	/nfs/dbraw/zinc/15/94/01/650159401.db2.gz	ZTOVIDSSJDCODW-MNOVXSKESA-N	-1	1	386.455	2.071	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000503477561	650418387	/nfs/dbraw/zinc/41/83/87/650418387.db2.gz	RUHOKFDXZUNKFR-AWEZNQCLSA-N	-1	1	384.435	2.033	20	5		GEBDMM
O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000506666609	650448744	/nfs/dbraw/zinc/44/87/44/650448744.db2.gz	VFGYEJKOMDKVIZ-SNVBAGLBSA-N	-1	1	398.144	2.461	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ccc(F)cn1	ZINC000477157043	650569919	/nfs/dbraw/zinc/56/99/19/650569919.db2.gz	PCUVKIISSJUKRN-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1[N+](=O)[O-]	ZINC000523728389	650637769	/nfs/dbraw/zinc/63/77/69/650637769.db2.gz	SRUFBYNLHUIHEX-XMMPIXPASA-N	-1	1	384.435	2.283	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](CO)CC1CCC1	ZINC000481223552	650641701	/nfs/dbraw/zinc/64/17/01/650641701.db2.gz	DFTKNQVVERMDRS-LLVKDONJSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCOC1	ZINC000038110481	642516811	/nfs/dbraw/zinc/51/68/11/642516811.db2.gz	OIIHATGAPYEKBX-VIFPVBQESA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCO1	ZINC000042822336	642557046	/nfs/dbraw/zinc/55/70/46/642557046.db2.gz	MGHVKWZFNPRONO-JTQLQIEISA-N	-1	1	379.232	2.205	20	5		GEBDMM
CS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(F)F)s2)cc1[N+](=O)[O-]	ZINC000067524389	642970561	/nfs/dbraw/zinc/97/05/61/642970561.db2.gz	WEJJPZQJPVCLMX-UHFFFAOYSA-N	-1	1	378.338	2.040	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc(F)c1	ZINC000101575961	643110485	/nfs/dbraw/zinc/11/04/85/643110485.db2.gz	CEARHHMUCRLMCP-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
COCCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000103158363	643157309	/nfs/dbraw/zinc/15/73/09/643157309.db2.gz	KZTBCEITTAMYAT-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
Cc1nc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)n[nH]1	ZINC000104741454	643190306	/nfs/dbraw/zinc/19/03/06/643190306.db2.gz	PWLOZFWJYDDMMO-CYBMUJFWSA-N	-1	1	379.423	2.151	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1cscn1	ZINC000111629009	643342923	/nfs/dbraw/zinc/34/29/23/643342923.db2.gz	NRGQTRIFESJHSD-UHFFFAOYSA-N	-1	1	392.256	2.335	20	5		GEBDMM
O=C1CCCN1c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000119370725	643548884	/nfs/dbraw/zinc/54/88/84/643548884.db2.gz	YJRXAGGEWGAFRW-UHFFFAOYSA-N	-1	1	381.435	2.262	20	5		GEBDMM
COCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120023605	643586154	/nfs/dbraw/zinc/58/61/54/643586154.db2.gz	BZZPSWURZGBRBU-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
Cn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(F)(F)F)n1	ZINC000124879395	643691918	/nfs/dbraw/zinc/69/19/18/643691918.db2.gz	ZXRIDGVSOWEXFW-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(N)=O)cc1	ZINC000130525111	643842156	/nfs/dbraw/zinc/84/21/56/643842156.db2.gz	PCKSMMCPPKZQHW-UHFFFAOYSA-N	-1	1	383.813	2.385	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1	ZINC000130767289	643850025	/nfs/dbraw/zinc/85/00/25/643850025.db2.gz	HDNULOGXTBYXRT-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1	ZINC000130767289	643850027	/nfs/dbraw/zinc/85/00/27/643850027.db2.gz	HDNULOGXTBYXRT-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2=O)cc1	ZINC000173392660	644357033	/nfs/dbraw/zinc/35/70/33/644357033.db2.gz	VHBDNMRRWJOKQM-LBPRGKRZSA-N	-1	1	381.435	2.049	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(CO)CCCC1	ZINC000185258864	645040117	/nfs/dbraw/zinc/04/01/17/645040117.db2.gz	KVSYGTHQANVSQY-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000265152257	645746487	/nfs/dbraw/zinc/74/64/87/645746487.db2.gz	LGLMQUBZSOKROP-ZYHUDNBSSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1[C@@H](C)O	ZINC000272124170	646254788	/nfs/dbraw/zinc/25/47/88/646254788.db2.gz	QUGAOQSEYKBDJF-SNVBAGLBSA-N	-1	1	385.829	2.483	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@@H](c2cnn(C)c2)C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000278938365	646564221	/nfs/dbraw/zinc/56/42/21/646564221.db2.gz	XIEWTOXVFPOBBM-LBPRGKRZSA-N	-1	1	378.332	2.219	20	5		GEBDMM
C[C@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000331200088	647369582	/nfs/dbraw/zinc/36/95/82/647369582.db2.gz	WGYLJSUHELFUNP-QWHCGFSZSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CC(C)=CCSC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000548593750	651081358	/nfs/dbraw/zinc/08/13/58/651081358.db2.gz	DJQPDWRKGMQQLU-LLVKDONJSA-N	-1	1	392.430	2.165	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccsc1Br	ZINC000548862324	651087993	/nfs/dbraw/zinc/08/79/93/651087993.db2.gz	NMKCOGWFSCHMCM-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000728933440	651555459	/nfs/dbraw/zinc/55/54/59/651555459.db2.gz	QGSWAYBRJRPXLK-UHFFFAOYSA-N	-1	1	393.849	2.441	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000741158464	651937954	/nfs/dbraw/zinc/93/79/54/651937954.db2.gz	UQLYCDKLHILXQZ-SNVBAGLBSA-N	-1	1	378.834	2.316	20	5		GEBDMM
CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000742951868	652006232	/nfs/dbraw/zinc/00/62/32/652006232.db2.gz	HWYLHUCBPGSVQZ-UHFFFAOYSA-N	-1	1	387.801	2.252	20	5		GEBDMM
COc1ccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000751221870	652331997	/nfs/dbraw/zinc/33/19/97/652331997.db2.gz	JLQPOGKMXSOKKJ-CQSZACIVSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751401600	652344994	/nfs/dbraw/zinc/34/49/94/652344994.db2.gz	BMQOODSMVWZMJY-GZMMTYOYSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1	ZINC000589305425	652565398	/nfs/dbraw/zinc/56/53/98/652565398.db2.gz	ICNXRBUUJBEYRE-LLVKDONJSA-N	-1	1	393.259	2.187	20	5		GEBDMM
C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000759793579	652586652	/nfs/dbraw/zinc/58/66/52/652586652.db2.gz	JVXAOGKLJNVYGX-UWVGGRQHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CC(C)(C)OC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000592118157	652588094	/nfs/dbraw/zinc/58/80/94/652588094.db2.gz	ZSXNSOZBDSPQJQ-ZJUUUORDSA-N	-1	1	376.456	2.445	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000599204598	652853876	/nfs/dbraw/zinc/85/38/76/652853876.db2.gz	ONVSWOBPCJNDDF-MRVPVSSYSA-N	-1	1	389.231	2.130	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)F	ZINC000599398016	652866919	/nfs/dbraw/zinc/86/69/19/652866919.db2.gz	RDMOSQFJRXPUAQ-SECBINFHSA-N	-1	1	383.804	2.256	20	5		GEBDMM
CN(C)C(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768808671	653127709	/nfs/dbraw/zinc/12/77/09/653127709.db2.gz	DGXLTNFPQFGPFX-CYBMUJFWSA-N	-1	1	383.451	2.154	20	5		GEBDMM
COC(=O)c1cccc2nc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)[nH]c21	ZINC000768867473	653133793	/nfs/dbraw/zinc/13/37/93/653133793.db2.gz	RKYCJZNDJNUCBP-UHFFFAOYSA-N	-1	1	382.379	2.120	20	5		GEBDMM
COCCOC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809821628	653301768	/nfs/dbraw/zinc/30/17/68/653301768.db2.gz	PKQMCHWAJLJUBE-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827508	653303721	/nfs/dbraw/zinc/30/37/21/653303721.db2.gz	BZLNAJNPQXWNHQ-LHLIQPBNSA-N	-1	1	389.282	2.292	20	5		GEBDMM
CC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC	ZINC000810110866	653325860	/nfs/dbraw/zinc/32/58/60/653325860.db2.gz	ZWVVGMRNVJDDDZ-SSDOTTSWSA-N	-1	1	385.211	2.200	20	5		GEBDMM
O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)c([O-])c1	ZINC000778825716	653458316	/nfs/dbraw/zinc/45/83/16/653458316.db2.gz	BWQRXAZSXZEBFQ-UHFFFAOYSA-N	-1	1	383.154	2.082	20	5		GEBDMM
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000859422705	653461779	/nfs/dbraw/zinc/46/17/79/653461779.db2.gz	WEGNVASVXCTEND-OCAPTIKFSA-N	-1	1	397.222	2.200	20	5		GEBDMM
COCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000813742771	653613914	/nfs/dbraw/zinc/61/39/14/653613914.db2.gz	DJWVSYHZMRUQOB-UHFFFAOYSA-N	-1	1	399.238	2.447	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOc1cccnc1	ZINC000815013944	653643651	/nfs/dbraw/zinc/64/36/51/653643651.db2.gz	SLJLIJVXVCLDDB-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
COC(=O)[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815016723	653643968	/nfs/dbraw/zinc/64/39/68/653643968.db2.gz	NGNNTUSGYDRTBD-ZDUSSCGKSA-N	-1	1	380.781	2.007	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)c1ccsc1	ZINC000815033927	653646581	/nfs/dbraw/zinc/64/65/81/653646581.db2.gz	XTGCQLFDZUQYFC-SNVBAGLBSA-N	-1	1	380.806	2.461	20	5		GEBDMM
CN1CC[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000819893651	653760634	/nfs/dbraw/zinc/76/06/34/653760634.db2.gz	LEJUUDBYTPDNFZ-MRVPVSSYSA-N	-1	1	396.252	2.048	20	5		GEBDMM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C	ZINC000788932522	653766852	/nfs/dbraw/zinc/76/68/52/653766852.db2.gz	MSWOHSRVXBJPQF-UKRRQHHQSA-N	-1	1	392.861	2.093	20	5		GEBDMM
C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000791422399	653813338	/nfs/dbraw/zinc/81/33/38/653813338.db2.gz	FEBPOXXEHVRHQZ-MRVPVSSYSA-N	-1	1	379.225	2.465	20	5		GEBDMM
O=C([O-])C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F	ZINC000794767755	653920046	/nfs/dbraw/zinc/92/00/46/653920046.db2.gz	QCVRZFIAASTXNB-ZCFIWIBFSA-N	-1	1	390.723	2.180	20	5		GEBDMM
CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795952149	653979748	/nfs/dbraw/zinc/97/97/48/653979748.db2.gz	VOEUKRVWWQIUTO-NKWVEPMBSA-N	-1	1	385.211	2.198	20	5		GEBDMM
CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1=O	ZINC000827814714	654009051	/nfs/dbraw/zinc/00/90/51/654009051.db2.gz	HNQBYWGHXFJROI-JTQLQIEISA-N	-1	1	393.824	2.065	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1	ZINC000849419790	654029332	/nfs/dbraw/zinc/02/93/32/654029332.db2.gz	PAFSWXXBPQHJOY-GFCCVEGCSA-N	-1	1	396.824	2.107	20	5		GEBDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ncnn21	ZINC000849424692	654031414	/nfs/dbraw/zinc/03/14/14/654031414.db2.gz	YEBPPYJNMPTSGA-IMTBSYHQSA-N	-1	1	392.224	2.477	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1COC(=O)c1sccc1[N-]S(C)(=O)=O	ZINC000797472647	654034353	/nfs/dbraw/zinc/03/43/53/654034353.db2.gz	HLLLXLLVTOVUQV-UHFFFAOYSA-N	-1	1	386.407	2.393	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)cc1Cl	ZINC000798225394	654054853	/nfs/dbraw/zinc/05/48/53/654054853.db2.gz	UVSAOQLTYJGQKO-JTQLQIEISA-N	-1	1	396.824	2.251	20	5		GEBDMM
CN1CCN(c2ccc([N+](=O)[O-])c([N-]S(=O)(=O)c3ccsc3)c2)CC1	ZINC000901974002	654159193	/nfs/dbraw/zinc/15/91/93/654159193.db2.gz	LWIFDGKWKKBSPX-UHFFFAOYSA-N	-1	1	382.467	2.209	20	5		GEBDMM
CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000851851673	654191930	/nfs/dbraw/zinc/19/19/30/654191930.db2.gz	DDKQYUWYDFSEMF-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000831902671	654217012	/nfs/dbraw/zinc/21/70/12/654217012.db2.gz	LWJLLMGPRAFLNA-DTWKUNHWSA-N	-1	1	379.460	2.236	20	5		GEBDMM
CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000832066750	654230532	/nfs/dbraw/zinc/23/05/32/654230532.db2.gz	MKJIHNXOPPCKBM-UFBFGSQYSA-N	-1	1	399.252	2.231	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@@H]12	ZINC000921323593	654248097	/nfs/dbraw/zinc/24/80/97/654248097.db2.gz	KVEOZERTKBDIJS-YPMHNXCESA-N	-1	1	391.902	2.106	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1Cl	ZINC000832230400	654249130	/nfs/dbraw/zinc/24/91/30/654249130.db2.gz	CBMWNWUJKPJFOL-ZUZCIYMTSA-N	-1	1	392.836	2.463	20	5		GEBDMM
C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000832463408	654268201	/nfs/dbraw/zinc/26/82/01/654268201.db2.gz	ZRRDGZNLGQOJFT-MRVPVSSYSA-N	-1	1	376.797	2.030	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)cc([N+](=O)[O-])c1F	ZINC000921860490	654334003	/nfs/dbraw/zinc/33/40/03/654334003.db2.gz	HIFMCKZXUIIWSQ-QPUJVOFHSA-N	-1	1	386.323	2.288	20	5		GEBDMM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1	ZINC000157182307	531732762	/nfs/dbraw/zinc/73/27/62/531732762.db2.gz	UVESWNUJABOITN-UHFFFAOYSA-N	-1	1	380.304	2.168	20	5		GEBDMM
COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)oc1C	ZINC000056043131	531802191	/nfs/dbraw/zinc/80/21/91/531802191.db2.gz	AVEIDYQDDPVBCH-UHFFFAOYSA-N	-1	1	388.785	2.415	20	5		GEBDMM
CC(C)(C)c1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1	ZINC000055974825	531799929	/nfs/dbraw/zinc/79/99/29/531799929.db2.gz	UXXQKNSQTBIPJI-UHFFFAOYSA-N	-1	1	384.439	2.400	20	5		GEBDMM
Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CCC1	ZINC000162171532	531837067	/nfs/dbraw/zinc/83/70/67/531837067.db2.gz	LBZZEIWYTGFUJK-UHFFFAOYSA-N	-1	1	385.833	2.123	20	5		GEBDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1	ZINC000173682552	532026006	/nfs/dbraw/zinc/02/60/06/532026006.db2.gz	JHJYFNHBPKHJPJ-PWSUYJOCSA-N	-1	1	381.435	2.129	20	5		GEBDMM
CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000123745985	532106215	/nfs/dbraw/zinc/10/62/15/532106215.db2.gz	PYCBMIIOTGYMNA-SNVBAGLBSA-N	-1	1	395.275	2.434	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cn(-c2ccccc2)nn1	ZINC000129712374	532182933	/nfs/dbraw/zinc/18/29/33/532182933.db2.gz	ZYHOCAHFYGEZTB-JTQLQIEISA-N	-1	1	379.423	2.277	20	5		GEBDMM
CC(C)(CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178828734	532214221	/nfs/dbraw/zinc/21/42/21/532214221.db2.gz	VBKAVMLJWFWLOX-UHFFFAOYSA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000135110349	532268089	/nfs/dbraw/zinc/26/80/89/532268089.db2.gz	BQNTVZCAYWZWQW-IUCAKERBSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c1Cl	ZINC000295258787	532428011	/nfs/dbraw/zinc/42/80/11/532428011.db2.gz	RCTWPVIGPYWJGA-NSHDSACASA-N	-1	1	387.266	2.048	20	5		GEBDMM
CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000295712994	532471184	/nfs/dbraw/zinc/47/11/84/532471184.db2.gz	NLEHBNWGOOZHGT-SNVBAGLBSA-N	-1	1	384.241	2.080	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H](COC)c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000519667767	532473802	/nfs/dbraw/zinc/47/38/02/532473802.db2.gz	PUTOHWAORBLUQS-LBPRGKRZSA-N	-1	1	388.833	2.131	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000296193432	532504366	/nfs/dbraw/zinc/50/43/66/532504366.db2.gz	LTFCJFOJXZPESD-KOLCDFICSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F	ZINC000525601786	532532923	/nfs/dbraw/zinc/53/29/23/532532923.db2.gz	VQOUHWWOFALVFD-UHFFFAOYSA-N	-1	1	377.300	2.367	20	5		GEBDMM
C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296673809	532533138	/nfs/dbraw/zinc/53/31/38/532533138.db2.gz	HGYMFCZOKSKGBN-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1=O	ZINC000296937759	532554965	/nfs/dbraw/zinc/55/49/65/532554965.db2.gz	XIVJTEQFNZMGDQ-SECBINFHSA-N	-1	1	396.252	2.189	20	5		GEBDMM
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595354860	532559651	/nfs/dbraw/zinc/55/96/51/532559651.db2.gz	NHEAFWZXKNEAKR-LLVKDONJSA-N	-1	1	392.275	2.120	20	5		GEBDMM
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1	ZINC000595355830	532559955	/nfs/dbraw/zinc/55/99/55/532559955.db2.gz	RQRFOZFSAZZTQB-SNVBAGLBSA-N	-1	1	381.376	2.376	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCCC1	ZINC000599472721	532661661	/nfs/dbraw/zinc/66/16/61/532661661.db2.gz	NMDYHEHVVKHAQB-UHFFFAOYSA-N	-1	1	391.243	2.395	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])n1	ZINC000532854418	532657975	/nfs/dbraw/zinc/65/79/75/532657975.db2.gz	IECVTLSPPUSJJG-KCJUWKMLSA-N	-1	1	388.808	2.438	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])n1	ZINC000532853856	532658548	/nfs/dbraw/zinc/65/85/48/532658548.db2.gz	CSFRXTUZUNNEHP-LLVKDONJSA-N	-1	1	386.430	2.466	20	5		GEBDMM
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000285579319	532693752	/nfs/dbraw/zinc/69/37/52/532693752.db2.gz	WVCNZGVQLCZBQN-QMTHXVAHSA-N	-1	1	389.861	2.220	20	5		GEBDMM
CC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000286172061	532732330	/nfs/dbraw/zinc/73/23/30/532732330.db2.gz	YUOWTZWBZWQUPI-UHFFFAOYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
CSC[C@@](C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290865700	532891247	/nfs/dbraw/zinc/89/12/47/532891247.db2.gz	XSNAVXQZLYIJQR-NSHDSACASA-N	-1	1	389.282	2.294	20	5		GEBDMM
Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2	ZINC000368787759	532934336	/nfs/dbraw/zinc/93/43/36/532934336.db2.gz	APBGEYPGDIDJFW-NSHDSACASA-N	-1	1	382.829	2.182	20	5		GEBDMM
O=c1c(-c2nn[n-]n2)cn(CCOc2ccccc2[N+](=O)[O-])c2ccccc12	ZINC000738372476	598504808	/nfs/dbraw/zinc/50/48/08/598504808.db2.gz	QTGSRJIEBUYISS-UHFFFAOYSA-N	-1	1	378.348	2.169	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1C	ZINC000737282512	598594069	/nfs/dbraw/zinc/59/40/69/598594069.db2.gz	FGQDFPFYBKNDEN-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1cccc(F)c1	ZINC000485813853	599945454	/nfs/dbraw/zinc/94/54/54/599945454.db2.gz	LKPBFMCVSUZSBP-LLVKDONJSA-N	-1	1	386.339	2.284	20	5		GEBDMM
O=C([O-])Nc1ccc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000740025338	600447418	/nfs/dbraw/zinc/44/74/18/600447418.db2.gz	QYMCKAUYXIMYQA-UHFFFAOYSA-N	-1	1	383.357	2.345	20	5		GEBDMM
COc1ccc(OCCS(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432187223	600689019	/nfs/dbraw/zinc/68/90/19/600689019.db2.gz	OZRWCIRFYRJUGZ-UHFFFAOYSA-N	-1	1	396.377	2.122	20	5		GEBDMM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000832956040	600691432	/nfs/dbraw/zinc/69/14/32/600691432.db2.gz	WPLZTVZOGIWVEU-UHFFFAOYSA-N	-1	1	381.322	2.310	20	5		GEBDMM
CC(C)[C@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000817977717	601823644	/nfs/dbraw/zinc/82/36/44/601823644.db2.gz	YNZLLGANPIRVBK-AWEZNQCLSA-N	-1	1	378.410	2.356	20	5		GEBDMM
O=C([O-])N1CCC(N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)CC1	ZINC000740508643	601913467	/nfs/dbraw/zinc/91/34/67/601913467.db2.gz	UOEZUGJRYZVOOV-UHFFFAOYSA-N	-1	1	386.412	2.418	20	5		GEBDMM
Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000740174746	601934165	/nfs/dbraw/zinc/93/41/65/601934165.db2.gz	LIHAJYFSLFTMRA-UHFFFAOYSA-N	-1	1	376.413	2.449	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000740151636	601934253	/nfs/dbraw/zinc/93/42/53/601934253.db2.gz	CYNSZIIGAUQOQX-UHFFFAOYSA-N	-1	1	376.413	2.449	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000826105987	602219045	/nfs/dbraw/zinc/21/90/45/602219045.db2.gz	OMCBZVISNJDESZ-CYBMUJFWSA-N	-1	1	379.394	2.120	20	5		GEBDMM
Cc1cc(C)cc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000826265437	607573457	/nfs/dbraw/zinc/57/34/57/607573457.db2.gz	ZAKUSMJNLPVZEE-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000739931060	602835188	/nfs/dbraw/zinc/83/51/88/602835188.db2.gz	CCYNBUGWMNUKAT-VXGBXAGGSA-N	-1	1	380.401	2.005	20	5		GEBDMM
CCC1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000825194449	607598963	/nfs/dbraw/zinc/59/89/63/607598963.db2.gz	QVMQYUCSLSQNHI-UHFFFAOYSA-N	-1	1	394.457	2.270	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826498009	607600078	/nfs/dbraw/zinc/60/00/78/607600078.db2.gz	CWTUQSLQUUDQHN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826498009	607600079	/nfs/dbraw/zinc/60/00/79/607600079.db2.gz	CWTUQSLQUUDQHN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000740681427	603059588	/nfs/dbraw/zinc/05/95/88/603059588.db2.gz	KKGNHLPBZXPGIF-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n[nH]1	ZINC000740681427	603059590	/nfs/dbraw/zinc/05/95/90/603059590.db2.gz	KKGNHLPBZXPGIF-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)n1	ZINC000740681442	603060001	/nfs/dbraw/zinc/06/00/01/603060001.db2.gz	KSQYSWGBXQXXGY-UHFFFAOYSA-N	-1	1	388.365	2.461	20	5		GEBDMM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)n[nH]1	ZINC000740681442	603060007	/nfs/dbraw/zinc/06/00/07/603060007.db2.gz	KSQYSWGBXQXXGY-UHFFFAOYSA-N	-1	1	388.365	2.461	20	5		GEBDMM
O=C([O-])N[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000832140742	603142460	/nfs/dbraw/zinc/14/24/60/603142460.db2.gz	NVRILCRCBBGUPY-LBPRGKRZSA-N	-1	1	383.357	2.021	20	5		GEBDMM
CC(C)C[C@@](C)(CNC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000738809862	603242625	/nfs/dbraw/zinc/24/26/25/603242625.db2.gz	XSXCCKRNDSZABE-AWEZNQCLSA-N	-1	1	377.394	2.085	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000833420885	604929401	/nfs/dbraw/zinc/92/94/01/604929401.db2.gz	BEDCXSJWGVQJEP-NSHDSACASA-N	-1	1	393.396	2.085	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]21	ZINC000834177857	605322074	/nfs/dbraw/zinc/32/20/74/605322074.db2.gz	DADROQIORCNRIX-RRFJBIMHSA-N	-1	1	386.412	2.179	20	5		GEBDMM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833791196	605450131	/nfs/dbraw/zinc/45/01/31/605450131.db2.gz	SVZWURGYVOWMRZ-KOZAUXTDSA-N	-1	1	376.413	2.290	20	5		GEBDMM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833791200	605450537	/nfs/dbraw/zinc/45/05/37/605450537.db2.gz	SVZWURGYVOWMRZ-NOXHYTERSA-N	-1	1	376.413	2.290	20	5		GEBDMM
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833789015	605454376	/nfs/dbraw/zinc/45/43/76/605454376.db2.gz	FUHMMXZJWHAKAN-KNPMLCFXSA-N	-1	1	376.413	2.290	20	5		GEBDMM
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789412	605895294	/nfs/dbraw/zinc/89/52/94/605895294.db2.gz	JLCWVAWYRKXHPM-CYBMUJFWSA-N	-1	1	376.413	2.388	20	5		GEBDMM
O=C([O-])N1CCC2(CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1	ZINC000834093648	605898095	/nfs/dbraw/zinc/89/80/95/605898095.db2.gz	NLGYTCBLVKJGAY-INIZCTEOSA-N	-1	1	388.424	2.166	20	5		GEBDMM
COc1ccccc1N1CC[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000821897081	606705803	/nfs/dbraw/zinc/70/58/03/606705803.db2.gz	DAKLYOQSEPPYTM-LBPRGKRZSA-N	-1	1	396.411	2.117	20	5		GEBDMM
COc1ccccc1N1CC[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000821897081	606705804	/nfs/dbraw/zinc/70/58/04/606705804.db2.gz	DAKLYOQSEPPYTM-LBPRGKRZSA-N	-1	1	396.411	2.117	20	5		GEBDMM
COc1cccc(N2CC[C@@H](CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1	ZINC000821872409	606706630	/nfs/dbraw/zinc/70/66/30/606706630.db2.gz	LSXNKHOOVRBZIK-LBPRGKRZSA-N	-1	1	396.411	2.117	20	5		GEBDMM
COc1cccc(N2CC[C@@H](CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1	ZINC000821872409	606706632	/nfs/dbraw/zinc/70/66/32/606706632.db2.gz	LSXNKHOOVRBZIK-LBPRGKRZSA-N	-1	1	396.411	2.117	20	5		GEBDMM
O=C(c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)N1CCCC1	ZINC000823487511	606707197	/nfs/dbraw/zinc/70/71/97/606707197.db2.gz	DGMSKLHJOAEUJH-UHFFFAOYSA-N	-1	1	381.352	2.198	20	5		GEBDMM
O=C(c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)N1CCCC1	ZINC000823487511	606707198	/nfs/dbraw/zinc/70/71/98/606707198.db2.gz	DGMSKLHJOAEUJH-UHFFFAOYSA-N	-1	1	381.352	2.198	20	5		GEBDMM
CC(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000820020648	606710665	/nfs/dbraw/zinc/71/06/65/606710665.db2.gz	JGRITCALKHTJEV-NSHDSACASA-N	-1	1	392.420	2.131	20	5		GEBDMM
CC(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000820020648	606710667	/nfs/dbraw/zinc/71/06/67/606710667.db2.gz	JGRITCALKHTJEV-NSHDSACASA-N	-1	1	392.420	2.131	20	5		GEBDMM
Cn1c(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc2ccccc21	ZINC000822595683	606715619	/nfs/dbraw/zinc/71/56/19/606715619.db2.gz	BKBNGMSHSRLVQI-UHFFFAOYSA-N	-1	1	379.384	2.101	20	5		GEBDMM
Cn1c(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc2ccccc21	ZINC000822595683	606715621	/nfs/dbraw/zinc/71/56/21/606715621.db2.gz	BKBNGMSHSRLVQI-UHFFFAOYSA-N	-1	1	379.384	2.101	20	5		GEBDMM
CC(C)C[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820061462	606735484	/nfs/dbraw/zinc/73/54/84/606735484.db2.gz	BUJCFNZKFJHPOM-GFCCVEGCSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CN(CCOc1ccc(Cl)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821603970	607162741	/nfs/dbraw/zinc/16/27/41/607162741.db2.gz	XBSPABZBAGREOK-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
CN(CCOc1ccc(Cl)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821603970	607162742	/nfs/dbraw/zinc/16/27/42/607162742.db2.gz	XBSPABZBAGREOK-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
Cc1nc2ccccc2n1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000822462316	607163575	/nfs/dbraw/zinc/16/35/75/607163575.db2.gz	GMZUJGNIEGPDCK-UHFFFAOYSA-N	-1	1	379.384	2.330	20	5		GEBDMM
Cc1nc2ccccc2n1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000822462316	607163576	/nfs/dbraw/zinc/16/35/76/607163576.db2.gz	GMZUJGNIEGPDCK-UHFFFAOYSA-N	-1	1	379.384	2.330	20	5		GEBDMM
Cc1cccc([N+](=O)[O-])c1OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C	ZINC000826304514	608008843	/nfs/dbraw/zinc/00/88/43/608008843.db2.gz	OBJWWDHTUWTBGM-UHFFFAOYSA-N	-1	1	398.379	2.339	20	5		GEBDMM
COc1ccc(C[C@@H](C)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826192087	608052055	/nfs/dbraw/zinc/05/20/55/608052055.db2.gz	ZOOLEICLJRRNQL-GFCCVEGCSA-N	-1	1	383.412	2.494	20	5		GEBDMM
COc1ccc(C[C@@H](C)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826192087	608052056	/nfs/dbraw/zinc/05/20/56/608052056.db2.gz	ZOOLEICLJRRNQL-GFCCVEGCSA-N	-1	1	383.412	2.494	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nnn[n-]2)s1	ZINC000826272516	609163752	/nfs/dbraw/zinc/16/37/52/609163752.db2.gz	NVSMADBTQIZGAA-UHFFFAOYSA-N	-1	1	375.366	2.381	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1ccc(-c2nn[n-]n2)s1	ZINC000826272516	609163753	/nfs/dbraw/zinc/16/37/53/609163753.db2.gz	NVSMADBTQIZGAA-UHFFFAOYSA-N	-1	1	375.366	2.381	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C1(CF)CCOCC1	ZINC000451733632	650136863	/nfs/dbraw/zinc/13/68/63/650136863.db2.gz	GOPZRLXTLJXFCS-UHFFFAOYSA-N	-1	1	397.222	2.154	20	5		GEBDMM
CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451984688	650161457	/nfs/dbraw/zinc/16/14/57/650161457.db2.gz	VYUCFNHBEYNJGO-NSHDSACASA-N	-1	1	379.232	2.061	20	5		GEBDMM
CO[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000462143215	650470968	/nfs/dbraw/zinc/47/09/68/650470968.db2.gz	WDZSIUHCSNZPBU-CYBMUJFWSA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000523820867	650638456	/nfs/dbraw/zinc/63/84/56/650638456.db2.gz	HRWSAYBGWISNTP-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1	ZINC000530951629	650731747	/nfs/dbraw/zinc/73/17/47/650731747.db2.gz	PQTXEIKORZCBOY-GFCCVEGCSA-N	-1	1	382.829	2.200	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1[N+](=O)[O-]	ZINC000534942694	650782578	/nfs/dbraw/zinc/78/25/78/650782578.db2.gz	IPBCVMZKDAVQFM-UHFFFAOYSA-N	-1	1	382.419	2.034	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(-n3cccn3)cc2)s1	ZINC000066327544	642908861	/nfs/dbraw/zinc/90/88/61/642908861.db2.gz	JGBZCGIWZOINAB-UHFFFAOYSA-N	-1	1	378.435	2.363	20	5		GEBDMM
CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066333925	642909743	/nfs/dbraw/zinc/90/97/43/642909743.db2.gz	BKEOAFVBGAECKI-GFCCVEGCSA-N	-1	1	384.435	2.109	20	5		GEBDMM
O=C(CC1CCCC1)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000101579544	643111205	/nfs/dbraw/zinc/11/12/05/643111205.db2.gz	XPBPHVFVPLEQDD-UHFFFAOYSA-N	-1	1	389.861	2.223	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000102411744	643125957	/nfs/dbraw/zinc/12/59/57/643125957.db2.gz	CYBZLZMYHYCTTG-QWRGUYRKSA-N	-1	1	389.861	2.316	20	5		GEBDMM
Cn1cc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nc1Cl	ZINC000120287775	643598407	/nfs/dbraw/zinc/59/84/07/643598407.db2.gz	MUZDVZLZLYWLDX-UHFFFAOYSA-N	-1	1	382.789	2.173	20	5		GEBDMM
Cc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(N2CCCC2)n1	ZINC000120307442	643599531	/nfs/dbraw/zinc/59/95/31/643599531.db2.gz	VWKRRZBXRCOPBC-UHFFFAOYSA-N	-1	1	382.467	2.438	20	5		GEBDMM
CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000122479963	643655372	/nfs/dbraw/zinc/65/53/72/643655372.db2.gz	BTMGIVRLSUQUAQ-SNVBAGLBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000159329151	644187623	/nfs/dbraw/zinc/18/76/23/644187623.db2.gz	OSBZLGGFDBMSGY-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
Cc1cc(Br)c([O-])c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1	ZINC000182906451	644973893	/nfs/dbraw/zinc/97/38/93/644973893.db2.gz	BOXGFLKPYYERHF-UHFFFAOYSA-N	-1	1	382.170	2.172	20	5		GEBDMM
O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1	ZINC000188117963	645108867	/nfs/dbraw/zinc/10/88/67/645108867.db2.gz	WWKCEIYXUIOVDW-UHFFFAOYSA-N	-1	1	383.188	2.216	20	5		GEBDMM
O=[N+]([O-])c1ccccc1Cc1noc(C[N-]S(=O)(=O)c2cccs2)n1	ZINC000546243202	650996487	/nfs/dbraw/zinc/99/64/87/650996487.db2.gz	SFRQWJNFKBGWJM-UHFFFAOYSA-N	-1	1	380.407	2.109	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000271310812	646190086	/nfs/dbraw/zinc/19/00/86/646190086.db2.gz	YPWKABQSRHGHKQ-ZJUUUORDSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000277866042	646479984	/nfs/dbraw/zinc/47/99/84/646479984.db2.gz	OSJKSLMGHDWXNM-UHFFFAOYSA-N	-1	1	385.211	2.201	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000330452679	647337366	/nfs/dbraw/zinc/33/73/66/647337366.db2.gz	VAYCHTQKJGHWAK-WDEREUQCSA-N	-1	1	389.861	2.316	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccn(C)n1	ZINC000416552343	648169365	/nfs/dbraw/zinc/16/93/65/648169365.db2.gz	BFYVYJCZVAJXMA-MRVPVSSYSA-N	-1	1	378.332	2.387	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1	ZINC000416641540	648198121	/nfs/dbraw/zinc/19/81/21/648198121.db2.gz	QRKXTOTUTXGVFY-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000556772164	651251745	/nfs/dbraw/zinc/25/17/45/651251745.db2.gz	FQZDOICVDOCYKU-VIFPVBQESA-N	-1	1	383.209	2.433	20	5		GEBDMM
CC(C)(C)OC(=O)N1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000730813613	651610410	/nfs/dbraw/zinc/61/04/10/651610410.db2.gz	DSTXXEGZYZHBCW-JTQLQIEISA-N	-1	1	391.471	2.334	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C	ZINC000610267079	651653485	/nfs/dbraw/zinc/65/34/85/651653485.db2.gz	YPXFXNSLTJXXPS-SNVBAGLBSA-N	-1	1	381.248	2.307	20	5		GEBDMM
C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000610739582	651680582	/nfs/dbraw/zinc/68/05/82/651680582.db2.gz	DIKSYCDKBCRAAD-VHSXEESVSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000610739583	651680707	/nfs/dbraw/zinc/68/07/07/651680707.db2.gz	DIKSYCDKBCRAAD-ZJUUUORDSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000569773050	651723441	/nfs/dbraw/zinc/72/34/41/651723441.db2.gz	QSMWQLMVIMZAPK-UHFFFAOYSA-N	-1	1	390.215	2.341	20	5		GEBDMM
CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000575851940	652082160	/nfs/dbraw/zinc/08/21/60/652082160.db2.gz	BZLJVOILRPJHMU-GFCCVEGCSA-N	-1	1	384.332	2.391	20	5		GEBDMM
CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000575851941	652082226	/nfs/dbraw/zinc/08/22/26/652082226.db2.gz	BZLJVOILRPJHMU-LBPRGKRZSA-N	-1	1	384.332	2.391	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)c1cc(F)ccc1F	ZINC000751252698	652334936	/nfs/dbraw/zinc/33/49/36/652334936.db2.gz	ZTPXYEDEZGQXNK-GFCCVEGCSA-N	-1	1	376.312	2.024	20	5		GEBDMM
COc1cccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000751289062	652338970	/nfs/dbraw/zinc/33/89/70/652338970.db2.gz	WGVMJNAWAZEEIO-CQSZACIVSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751401601	652345491	/nfs/dbraw/zinc/34/54/91/652345491.db2.gz	BMQOODSMVWZMJY-KCJUWKMLSA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC1CCCC1	ZINC000751976112	652374341	/nfs/dbraw/zinc/37/43/41/652374341.db2.gz	YBWDQFMMFOAWCQ-VIFPVBQESA-N	-1	1	376.818	2.401	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)n1	ZINC000582329779	652445704	/nfs/dbraw/zinc/44/57/04/652445704.db2.gz	JIFOSKYYSPTVDD-UHFFFAOYSA-N	-1	1	387.801	2.139	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H](C)c2nc3ccccc3s2)c([N+](=O)[O-])n1	ZINC000754805758	652447428	/nfs/dbraw/zinc/44/74/28/652447428.db2.gz	REXMUAFUCRENFH-SECBINFHSA-N	-1	1	381.439	2.460	20	5		GEBDMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745957	652521912	/nfs/dbraw/zinc/52/19/12/652521912.db2.gz	UTHCKCLJGATDSU-JTQLQIEISA-N	-1	1	399.238	2.182	20	5		GEBDMM
CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000594807732	652684592	/nfs/dbraw/zinc/68/45/92/652684592.db2.gz	GPHIIWUHIHIAED-DMDPSCGWSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@H]12	ZINC000762519782	652695659	/nfs/dbraw/zinc/69/56/59/652695659.db2.gz	CUSMLMCGTFRTIR-GBIKHYSHSA-N	-1	1	378.472	2.392	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccncc2)C2(CO)CCC2)s1	ZINC000595409114	652724275	/nfs/dbraw/zinc/72/42/75/652724275.db2.gz	LTWBESDNJFFBEI-CQSZACIVSA-N	-1	1	383.451	2.234	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccccc1	ZINC000769750639	653175632	/nfs/dbraw/zinc/17/56/32/653175632.db2.gz	FXYUTDHXQKJMKC-ZDUSSCGKSA-N	-1	1	384.841	2.378	20	5		GEBDMM
NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000809819205	653300508	/nfs/dbraw/zinc/30/05/08/653300508.db2.gz	WZTAGZPCVLBXPE-YUMQZZPRSA-N	-1	1	396.252	2.224	20	5		GEBDMM
Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809822008	653301812	/nfs/dbraw/zinc/30/18/12/653301812.db2.gz	BVMWXQJHMQFUKK-UHFFFAOYSA-N	-1	1	376.797	2.216	20	5		GEBDMM
CCc1nncn1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809822421	653302414	/nfs/dbraw/zinc/30/24/14/653302414.db2.gz	KFNODJJAXQEKJZ-UHFFFAOYSA-N	-1	1	394.240	2.034	20	5		GEBDMM
O=C([N-]Cc1n[nH]cc1Br)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000778265561	653435512	/nfs/dbraw/zinc/43/55/12/653435512.db2.gz	ZDSNLDLUPXLLOO-UHFFFAOYSA-N	-1	1	375.129	2.489	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c1	ZINC000779898987	653615591	/nfs/dbraw/zinc/61/55/91/653615591.db2.gz	HUVMRXDXDPQRFN-VIFPVBQESA-N	-1	1	376.740	2.148	20	5		GEBDMM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000814286001	653626822	/nfs/dbraw/zinc/62/68/22/653626822.db2.gz	USSGGMDVHHMABR-SNVBAGLBSA-N	-1	1	377.850	2.079	20	5		GEBDMM
O=C(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1	ZINC000814993493	653642355	/nfs/dbraw/zinc/64/23/55/653642355.db2.gz	WLISUJPJTBEZCW-UHFFFAOYSA-N	-1	1	393.824	2.068	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1	ZINC000815033926	653646481	/nfs/dbraw/zinc/64/64/81/653646481.db2.gz	XTGCQLFDZUQYFC-JTQLQIEISA-N	-1	1	380.806	2.461	20	5		GEBDMM
Cn1cnc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1Cl	ZINC000785290941	653706714	/nfs/dbraw/zinc/70/67/14/653706714.db2.gz	YZTLUKOKYCHQCG-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCOCC1	ZINC000842807359	653768746	/nfs/dbraw/zinc/76/87/46/653768746.db2.gz	VXNRBKQKEARQMD-ZDUSSCGKSA-N	-1	1	378.834	2.432	20	5		GEBDMM
CCN1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1=O	ZINC000845994356	653878572	/nfs/dbraw/zinc/87/85/72/653878572.db2.gz	PMLPMDOEZUDWCK-MRVPVSSYSA-N	-1	1	396.252	2.048	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1(O)CCCC1	ZINC000795851191	653970450	/nfs/dbraw/zinc/97/04/50/653970450.db2.gz	PWLBMJDXOBBJAQ-UHFFFAOYSA-N	-1	1	397.222	2.080	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(OC)OC	ZINC000849407639	654025498	/nfs/dbraw/zinc/02/54/98/654025498.db2.gz	UFPGVALGRIRUBB-SECBINFHSA-N	-1	1	397.247	2.033	20	5		GEBDMM
CC(C)N1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000830343997	654111790	/nfs/dbraw/zinc/11/17/90/654111790.db2.gz	KJDNGDFZQQRNHZ-MRVPVSSYSA-N	-1	1	396.252	2.189	20	5		GEBDMM
COCC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831592975	654193099	/nfs/dbraw/zinc/19/30/99/654193099.db2.gz	GSMIVKVCLKOXAZ-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C	ZINC000831965406	654220568	/nfs/dbraw/zinc/22/05/68/654220568.db2.gz	ZSGOIYLPNXSFSR-SECBINFHSA-N	-1	1	379.460	2.238	20	5		GEBDMM
CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000832510800	654270881	/nfs/dbraw/zinc/27/08/81/654270881.db2.gz	FOBAXDSDWREWNA-NSHDSACASA-N	-1	1	397.222	2.200	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)cc([N+](=O)[O-])c1F	ZINC000921860488	654334082	/nfs/dbraw/zinc/33/40/82/654334082.db2.gz	HIFMCKZXUIIWSQ-PELKAZGASA-N	-1	1	386.323	2.288	20	5		GEBDMM
CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178775426	532212426	/nfs/dbraw/zinc/21/24/26/532212426.db2.gz	OKSPVFZIZBALPD-SNVBAGLBSA-N	-1	1	395.275	2.433	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000427246564	532417842	/nfs/dbraw/zinc/41/78/42/532417842.db2.gz	QXHDHVABYUCYFD-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CC(C)c1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000295336635	532435919	/nfs/dbraw/zinc/43/59/19/532435919.db2.gz	QQMHFDZEHQTMED-UHFFFAOYSA-N	-1	1	377.785	2.107	20	5		GEBDMM
CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1	ZINC000295336635	532435922	/nfs/dbraw/zinc/43/59/22/532435922.db2.gz	QQMHFDZEHQTMED-UHFFFAOYSA-N	-1	1	377.785	2.107	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(Br)cn1	ZINC000431623888	532518854	/nfs/dbraw/zinc/51/88/54/532518854.db2.gz	UKZGMORPLGVVTI-QMMMGPOBSA-N	-1	1	387.215	2.187	20	5		GEBDMM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000433885337	532583149	/nfs/dbraw/zinc/58/31/49/532583149.db2.gz	NDTDJYQELWBFTB-JOAKQRRISA-N	-1	1	376.818	2.424	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])n1	ZINC000435426450	532617002	/nfs/dbraw/zinc/61/70/02/532617002.db2.gz	IECVTLSPPUSJJG-LDYMZIIASA-N	-1	1	388.808	2.438	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1	ZINC000285039694	532641827	/nfs/dbraw/zinc/64/18/27/532641827.db2.gz	NFQUKSNIDZZHGO-GXTWGEPZSA-N	-1	1	383.813	2.452	20	5		GEBDMM
CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nn[n-]n1	ZINC000285249181	532663312	/nfs/dbraw/zinc/66/33/12/532663312.db2.gz	LOOBCSHNVKTVEC-LLVKDONJSA-N	-1	1	383.206	2.450	20	5		GEBDMM
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000599517513	532664562	/nfs/dbraw/zinc/66/45/62/532664562.db2.gz	BYVURTHQEVXOEJ-WAAGHKOSSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O	ZINC000377301987	532651647	/nfs/dbraw/zinc/65/16/47/532651647.db2.gz	YQYQDEQFQRSQIW-RISCZKNCSA-N	-1	1	384.797	2.021	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c([N+](=O)[O-])n1	ZINC000599374692	532659641	/nfs/dbraw/zinc/65/96/41/532659641.db2.gz	KQSYQNAYFINNMU-KWCYVHTRSA-N	-1	1	382.829	2.081	20	5		GEBDMM
CC(C)(CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000286124423	532730294	/nfs/dbraw/zinc/73/02/94/532730294.db2.gz	WARMEMIBBCDHBP-UHFFFAOYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271197328	532804289	/nfs/dbraw/zinc/80/42/89/532804289.db2.gz	AUEWANYFFLOBJI-SCZZXKLOSA-N	-1	1	379.232	2.203	20	5		GEBDMM
Cc1cccc([N+](=O)[O-])c1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000737411109	598745143	/nfs/dbraw/zinc/74/51/43/598745143.db2.gz	JPUVGWBAMNQVKQ-UHFFFAOYSA-N	-1	1	396.411	2.275	20	5		GEBDMM
CN1CCN(Cc2cccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)CC1	ZINC000830954871	600959654	/nfs/dbraw/zinc/95/96/54/600959654.db2.gz	PCKIZYSXRQZYEZ-UHFFFAOYSA-N	-1	1	398.419	2.293	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000832905756	601475436	/nfs/dbraw/zinc/47/54/36/601475436.db2.gz	TYMTWJPHSRHJEF-UHFFFAOYSA-N	-1	1	380.378	2.476	20	5		GEBDMM
O=C([O-])[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F	ZINC000548521735	601811388	/nfs/dbraw/zinc/81/13/88/601811388.db2.gz	ZBSTXRDFBXOUNW-GFCCVEGCSA-N	-1	1	388.760	2.492	20	5		GEBDMM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1	ZINC000469245847	602307696	/nfs/dbraw/zinc/30/76/96/602307696.db2.gz	UHKRSVXMMDVKSN-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1-c1nn[n-]n1	ZINC000826272039	607580557	/nfs/dbraw/zinc/58/05/57/607580557.db2.gz	RRFLKWRWQSPDBP-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
Cc1cc(C)c(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000826263028	607577504	/nfs/dbraw/zinc/57/75/04/607577504.db2.gz	IJPDENITTAFJED-UHFFFAOYSA-N	-1	1	389.393	2.468	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739931055	602835297	/nfs/dbraw/zinc/83/52/97/602835297.db2.gz	CCYNBUGWMNUKAT-RYUDHWBXSA-N	-1	1	380.401	2.005	20	5		GEBDMM
COc1ccc(NC(=O)CCN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000739918552	602836136	/nfs/dbraw/zinc/83/61/36/602836136.db2.gz	DHPJOQJJDNWIGZ-TXEJJXNPSA-N	-1	1	380.401	2.005	20	5		GEBDMM
CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825266690	607606670	/nfs/dbraw/zinc/60/66/70/607606670.db2.gz	GMLLUVKRZXHXLH-NWDGAFQWSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825060208	607608106	/nfs/dbraw/zinc/60/81/06/607608106.db2.gz	OQTNNTVNDXJSDT-MNOVXSKESA-N	-1	1	394.457	2.363	20	5		GEBDMM
C[C@H]1CCCC[C@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824936172	607616866	/nfs/dbraw/zinc/61/68/66/607616866.db2.gz	FGHLYJOGHKRXMN-RYUDHWBXSA-N	-1	1	394.457	2.270	20	5		GEBDMM
CC(C)CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824228183	607664991	/nfs/dbraw/zinc/66/49/91/607664991.db2.gz	GCAHWOCTZPOULM-UHFFFAOYSA-N	-1	1	382.446	2.126	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000829216724	604302301	/nfs/dbraw/zinc/30/23/01/604302301.db2.gz	AOQJXUQLRPKHBT-UHFFFAOYSA-N	-1	1	393.377	2.445	20	5		GEBDMM
COc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1F	ZINC000833726611	605327387	/nfs/dbraw/zinc/32/73/87/605327387.db2.gz	FMTHSOAZNXFXTR-UHFFFAOYSA-N	-1	1	388.304	2.381	20	5		GEBDMM
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833790543	605445388	/nfs/dbraw/zinc/44/53/88/605445388.db2.gz	PHYZAFWQCFLVEK-RFGFWPKPSA-N	-1	1	376.413	2.290	20	5		GEBDMM
CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000833662089	605706099	/nfs/dbraw/zinc/70/60/99/605706099.db2.gz	PPSOXIYXQSNPKD-UHFFFAOYSA-N	-1	1	378.337	2.271	20	5		GEBDMM
Cc1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1F	ZINC000822226125	606645031	/nfs/dbraw/zinc/64/50/31/606645031.db2.gz	DOKQAZXDJRVUIJ-UHFFFAOYSA-N	-1	1	385.359	2.064	20	5		GEBDMM
Cc1cccc(C)c1OC[C@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000822299568	606645743	/nfs/dbraw/zinc/64/57/43/606645743.db2.gz	NGJHIJRIBLVRMK-CQSZACIVSA-N	-1	1	384.396	2.244	20	5		GEBDMM
O=C1CCCN1Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000823530323	606700016	/nfs/dbraw/zinc/70/00/16/606700016.db2.gz	JFRXBTXTIRQFBI-UHFFFAOYSA-N	-1	1	380.368	2.036	20	5		GEBDMM
O=C1CCCN1Cc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000823530323	606700017	/nfs/dbraw/zinc/70/00/17/606700017.db2.gz	JFRXBTXTIRQFBI-UHFFFAOYSA-N	-1	1	380.368	2.036	20	5		GEBDMM
COc1ccccc1N1CC[C@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000821897079	606705815	/nfs/dbraw/zinc/70/58/15/606705815.db2.gz	DAKLYOQSEPPYTM-GFCCVEGCSA-N	-1	1	396.411	2.117	20	5		GEBDMM
COc1ccccc1N1CC[C@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000821897079	606705816	/nfs/dbraw/zinc/70/58/16/606705816.db2.gz	DAKLYOQSEPPYTM-GFCCVEGCSA-N	-1	1	396.411	2.117	20	5		GEBDMM
CC(C)Oc1ccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820155467	606710389	/nfs/dbraw/zinc/71/03/89/606710389.db2.gz	QGHFCHYGITULKG-CQSZACIVSA-N	-1	1	385.384	2.103	20	5		GEBDMM
CC(C)Oc1ccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820155467	606710391	/nfs/dbraw/zinc/71/03/91/606710391.db2.gz	QGHFCHYGITULKG-CQSZACIVSA-N	-1	1	385.384	2.103	20	5		GEBDMM
CC(C)(C)OC(=O)C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000819928030	606723675	/nfs/dbraw/zinc/72/36/75/606723675.db2.gz	GRWVJYYCNNJYFD-NSHDSACASA-N	-1	1	389.416	2.118	20	5		GEBDMM
CC(C)(C)OC(=O)C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000819928030	606723677	/nfs/dbraw/zinc/72/36/77/606723677.db2.gz	GRWVJYYCNNJYFD-NSHDSACASA-N	-1	1	389.416	2.118	20	5		GEBDMM
CC(C)(C)C[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000819907880	606732024	/nfs/dbraw/zinc/73/20/24/606732024.db2.gz	RYNBALJVQUDGEO-LLVKDONJSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CCC[C@H](C)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821014438	607144446	/nfs/dbraw/zinc/14/44/46/607144446.db2.gz	HEOWXCGWKVQKDT-NWDGAFQWSA-N	-1	1	394.457	2.364	20	5		GEBDMM
COC(=O)c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Cl)c1	ZINC000821669650	607162762	/nfs/dbraw/zinc/16/27/62/607162762.db2.gz	WMQORQPKEQTIFS-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
COC(=O)c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(Cl)c1	ZINC000821669650	607162763	/nfs/dbraw/zinc/16/27/63/607162763.db2.gz	WMQORQPKEQTIFS-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000823619975	607163564	/nfs/dbraw/zinc/16/35/64/607163564.db2.gz	DSOCDFIUYBAASA-CYBMUJFWSA-N	-1	1	395.379	2.283	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000823619975	607163565	/nfs/dbraw/zinc/16/35/65/607163565.db2.gz	DSOCDFIUYBAASA-CYBMUJFWSA-N	-1	1	395.379	2.283	20	5		GEBDMM
CC1CCN(c2ccc(CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cn2)CC1	ZINC000820726781	607168249	/nfs/dbraw/zinc/16/82/49/607168249.db2.gz	BUIXRCXHNUQXFN-UHFFFAOYSA-N	-1	1	395.427	2.413	20	5		GEBDMM
CC1CCN(c2ccc(CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cn2)CC1	ZINC000820726781	607168250	/nfs/dbraw/zinc/16/82/50/607168250.db2.gz	BUIXRCXHNUQXFN-UHFFFAOYSA-N	-1	1	395.427	2.413	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000826272306	608366042	/nfs/dbraw/zinc/36/60/42/608366042.db2.gz	CVUYUFRMKKJSSR-UHFFFAOYSA-N	-1	1	396.411	2.275	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826268155	609327541	/nfs/dbraw/zinc/32/75/41/609327541.db2.gz	MFNWXUIGAUKLFT-UHFFFAOYSA-N	-1	1	397.319	2.129	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826268155	609327542	/nfs/dbraw/zinc/32/75/42/609327542.db2.gz	MFNWXUIGAUKLFT-UHFFFAOYSA-N	-1	1	397.319	2.129	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c(Br)c1	ZINC000447006367	649993901	/nfs/dbraw/zinc/99/39/01/649993901.db2.gz	LCOJFYKHIXYTIP-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c(Br)c1	ZINC000447006367	649993906	/nfs/dbraw/zinc/99/39/06/649993906.db2.gz	LCOJFYKHIXYTIP-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(C(F)(F)F)c1	ZINC000451736967	650137604	/nfs/dbraw/zinc/13/76/04/650137604.db2.gz	MUCNKVHVUVMIPG-UHFFFAOYSA-N	-1	1	386.323	2.411	20	5		GEBDMM
CCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000451956309	650157638	/nfs/dbraw/zinc/15/76/38/650157638.db2.gz	HFWNKMDPRNXTLE-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)C	ZINC000462500266	650481996	/nfs/dbraw/zinc/48/19/96/650481996.db2.gz	JZBRQZKTDUZZGE-SNVBAGLBSA-N	-1	1	378.834	2.362	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H](CO)CC1CCC1	ZINC000481223554	650641735	/nfs/dbraw/zinc/64/17/35/650641735.db2.gz	DFTKNQVVERMDRS-NSHDSACASA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(OC(F)(F)F)cc1	ZINC000525186193	650651158	/nfs/dbraw/zinc/65/11/58/650651158.db2.gz	YVYAAYWXDFBDEG-UHFFFAOYSA-N	-1	1	377.300	2.367	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCSCc2ccc(C)cc2)c([N+](=O)[O-])n1	ZINC000532858784	650754182	/nfs/dbraw/zinc/75/41/82/650754182.db2.gz	ISMRLNFULXGBTG-UHFFFAOYSA-N	-1	1	384.483	2.331	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccco1	ZINC000038110445	642517007	/nfs/dbraw/zinc/51/70/07/642517007.db2.gz	UWSJOUMLSKVCID-UHFFFAOYSA-N	-1	1	375.200	2.471	20	5		GEBDMM
O=C1CCCCCN1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000101569964	643108311	/nfs/dbraw/zinc/10/83/11/643108311.db2.gz	HMYGMUNWJJNMAD-UHFFFAOYSA-N	-1	1	389.861	2.319	20	5		GEBDMM
COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br	ZINC000101683402	643114746	/nfs/dbraw/zinc/11/47/46/643114746.db2.gz	VKNXVVHVYABTMZ-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2C(F)(F)F)s1	ZINC000119227274	643543299	/nfs/dbraw/zinc/54/32/99/643543299.db2.gz	PCWDEGSEGLCSCA-UHFFFAOYSA-N	-1	1	397.356	2.427	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cn2ccccc2n1	ZINC000119527128	643555340	/nfs/dbraw/zinc/55/53/40/643555340.db2.gz	PJCSFLGRAOMXMC-UHFFFAOYSA-N	-1	1	380.813	2.417	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(O)CCCCC1	ZINC000123324855	643666808	/nfs/dbraw/zinc/66/68/08/643666808.db2.gz	XZIFUOPDZHLCFG-UHFFFAOYSA-N	-1	1	393.259	2.331	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1	ZINC000544611823	650946143	/nfs/dbraw/zinc/94/61/43/650946143.db2.gz	XYWMTFWQJHOGHD-SECBINFHSA-N	-1	1	396.265	2.205	20	5		GEBDMM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000265152255	645746365	/nfs/dbraw/zinc/74/63/65/645746365.db2.gz	LGLMQUBZSOKROP-PWSUYJOCSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)c1	ZINC000272572726	646278805	/nfs/dbraw/zinc/27/88/05/646278805.db2.gz	WZDCMZDUQYVUIZ-SNVBAGLBSA-N	-1	1	376.740	2.148	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1cccnc1	ZINC000281231446	646756470	/nfs/dbraw/zinc/75/64/70/646756470.db2.gz	SFPIXOILEMTMQM-SWLSCSKDSA-N	-1	1	383.813	2.452	20	5		GEBDMM
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1	ZINC000332292468	647429920	/nfs/dbraw/zinc/42/99/20/647429920.db2.gz	JMXYFUPPBWMCEY-MRVPVSSYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)cc1Cl	ZINC000377855993	647869560	/nfs/dbraw/zinc/86/95/60/647869560.db2.gz	MLGQDFJWLBJGPP-LKFCYVNXSA-N	-1	1	394.808	2.004	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-]	ZINC000416416142	648119868	/nfs/dbraw/zinc/11/98/68/648119868.db2.gz	KFKPKBQOUSUQCK-UHFFFAOYSA-N	-1	1	382.316	2.145	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416423772	648123780	/nfs/dbraw/zinc/12/37/80/648123780.db2.gz	XFTXDHNBSSJJAG-NSHDSACASA-N	-1	1	382.316	2.001	20	5		GEBDMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000416524577	648159340	/nfs/dbraw/zinc/15/93/40/648159340.db2.gz	GZVDIOHSSZOUBH-AOOOYVTPSA-N	-1	1	379.232	2.203	20	5		GEBDMM
COc1cc(NCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc(OC)c1	ZINC000443768725	648886996	/nfs/dbraw/zinc/88/69/96/648886996.db2.gz	GFQWTTOHVZRMFJ-UHFFFAOYSA-N	-1	1	387.439	2.064	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C2(c3nc(C)cs3)CCCC2)c([N+](=O)[O-])n1	ZINC000611105698	651706926	/nfs/dbraw/zinc/70/69/26/651706926.db2.gz	CTYIULNSNLWVFM-UHFFFAOYSA-N	-1	1	385.471	2.324	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)c1cc(F)ccc1F	ZINC000751252769	652334879	/nfs/dbraw/zinc/33/48/79/652334879.db2.gz	ZTPXYEDEZGQXNK-LBPRGKRZSA-N	-1	1	376.312	2.024	20	5		GEBDMM
C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1	ZINC000751438873	652350357	/nfs/dbraw/zinc/35/03/57/652350357.db2.gz	QIIGBRHQRGBPIN-CYBMUJFWSA-N	-1	1	376.843	2.496	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1cc2ccccc2s1	ZINC000751490464	652357168	/nfs/dbraw/zinc/35/71/68/652357168.db2.gz	GJTYDIFVEBUXKM-NSHDSACASA-N	-1	1	379.419	2.216	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@]12CCCO2	ZINC000759104575	652562960	/nfs/dbraw/zinc/56/29/60/652562960.db2.gz	NKQJKSDQDTYVRK-KFWWJZLASA-N	-1	1	390.845	2.253	20	5		GEBDMM
NC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1	ZINC000595388920	652718690	/nfs/dbraw/zinc/71/86/90/652718690.db2.gz	YTWXDQHYEHZVAJ-UHFFFAOYSA-N	-1	1	389.861	2.352	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1	ZINC000766862989	652901347	/nfs/dbraw/zinc/90/13/47/652901347.db2.gz	XECCGRXVOYYBGV-ZDUSSCGKSA-N	-1	1	388.804	2.269	20	5		GEBDMM
COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000768792956	653126809	/nfs/dbraw/zinc/12/68/09/653126809.db2.gz	GQLNMJBGNHPVJV-UHFFFAOYSA-N	-1	1	388.423	2.161	20	5		GEBDMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000768809222	653127766	/nfs/dbraw/zinc/12/77/66/653127766.db2.gz	HGDIQCASKDRTHJ-LBPRGKRZSA-N	-1	1	388.398	2.378	20	5		GEBDMM
COc1cc(OC)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1	ZINC000768816640	653128213	/nfs/dbraw/zinc/12/82/13/653128213.db2.gz	MSNNYTWBXPKVGB-UHFFFAOYSA-N	-1	1	388.423	2.161	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)cc1Cl	ZINC000809819157	653300665	/nfs/dbraw/zinc/30/06/65/653300665.db2.gz	WLEQCPRZFAUYDI-VIFPVBQESA-N	-1	1	392.792	2.110	20	5		GEBDMM
CSC[C@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809820481	653301211	/nfs/dbraw/zinc/30/12/11/653301211.db2.gz	ZAJCEPOJNFWZCZ-ZETCQYMHSA-N	-1	1	389.282	2.294	20	5		GEBDMM
COC(=O)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1	ZINC000809821954	653301605	/nfs/dbraw/zinc/30/16/05/653301605.db2.gz	AWWUXOQYEYIQSJ-LLVKDONJSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809828787	653304514	/nfs/dbraw/zinc/30/45/14/653304514.db2.gz	SRDCSAFTROMSLE-MRVPVSSYSA-N	-1	1	382.797	2.255	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H]1OC	ZINC000809831127	653305716	/nfs/dbraw/zinc/30/57/16/653305716.db2.gz	QUCHWSGEHGMBNS-NDMJEZRESA-N	-1	1	399.252	2.372	20	5		GEBDMM
CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831231	653305987	/nfs/dbraw/zinc/30/59/87/653305987.db2.gz	BMQBYLCSUTVEOA-YUMQZZPRSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CC[C@]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)(C(N)=O)C(C)C	ZINC000809831961	653306214	/nfs/dbraw/zinc/30/62/14/653306214.db2.gz	KSBSNHSQHZEEAU-CYBMUJFWSA-N	-1	1	398.268	2.470	20	5		GEBDMM
CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831746	653306297	/nfs/dbraw/zinc/30/62/97/653306297.db2.gz	IHEJNQCTGLBIAC-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c(Cl)cc1Cl	ZINC000809840220	653307753	/nfs/dbraw/zinc/30/77/53/653307753.db2.gz	SRKVNLYBQPSOJD-RXMQYKEDSA-N	-1	1	379.168	2.196	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000809839033	653307956	/nfs/dbraw/zinc/30/79/56/653307956.db2.gz	FGHANLVKMRFYOE-PWSUYJOCSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000810096762	653324201	/nfs/dbraw/zinc/32/42/01/653324201.db2.gz	VOEUKRVWWQIUTO-RNFRBKRXSA-N	-1	1	385.211	2.198	20	5		GEBDMM
CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000810096763	653324916	/nfs/dbraw/zinc/32/49/16/653324916.db2.gz	VOEUKRVWWQIUTO-RQJHMYQMSA-N	-1	1	385.211	2.198	20	5		GEBDMM
CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000778100942	653427884	/nfs/dbraw/zinc/42/78/84/653427884.db2.gz	XEVIDPGHXFEXCC-SNVBAGLBSA-N	-1	1	391.471	2.192	20	5		GEBDMM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859291060	653435289	/nfs/dbraw/zinc/43/52/89/653435289.db2.gz	RBRWPGPMMJLBCT-OQPBUACISA-N	-1	1	391.243	2.203	20	5		GEBDMM
CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000778706649	653454250	/nfs/dbraw/zinc/45/42/50/653454250.db2.gz	AVYTUMKORIJGCK-UHFFFAOYSA-N	-1	1	375.422	2.051	20	5		GEBDMM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000814286000	653626876	/nfs/dbraw/zinc/62/68/76/653626876.db2.gz	USSGGMDVHHMABR-JTQLQIEISA-N	-1	1	377.850	2.079	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)Cc1ccccc1	ZINC000815017791	653643977	/nfs/dbraw/zinc/64/39/77/653643977.db2.gz	VUEDJPUHGMCJJT-LLVKDONJSA-N	-1	1	388.804	2.269	20	5		GEBDMM
CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815034404	653646572	/nfs/dbraw/zinc/64/65/72/653646572.db2.gz	NIFQGIZPYXDQBP-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=C(Nc1nc(Br)ccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000783904655	653686276	/nfs/dbraw/zinc/68/62/76/653686276.db2.gz	HBWNWVGMBFBMQA-UHFFFAOYSA-N	-1	1	396.153	2.481	20	5		GEBDMM
COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000817153363	653704975	/nfs/dbraw/zinc/70/49/75/653704975.db2.gz	FUIYHKXWNNNLCW-SECBINFHSA-N	-1	1	396.824	2.250	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000841487544	653720172	/nfs/dbraw/zinc/72/01/72/653720172.db2.gz	XBWOFKMLWQWYNM-SECBINFHSA-N	-1	1	396.265	2.469	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccn(C)n1	ZINC000841551393	653731700	/nfs/dbraw/zinc/73/17/00/653731700.db2.gz	HUVOQSCJPXQADL-QMMMGPOBSA-N	-1	1	389.231	2.130	20	5		GEBDMM
Cc1ncsc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787318416	653737096	/nfs/dbraw/zinc/73/70/96/653737096.db2.gz	DOLQGAWXIMJFDS-SNVBAGLBSA-N	-1	1	391.814	2.117	20	5		GEBDMM
COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000787920811	653746283	/nfs/dbraw/zinc/74/62/83/653746283.db2.gz	WZVWWOLHWWLYSU-SSDOTTSWSA-N	-1	1	385.211	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cccnc1F	ZINC000795268831	653941680	/nfs/dbraw/zinc/94/16/80/653941680.db2.gz	WCODBJONHDWUGQ-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O	ZINC000795852445	653970934	/nfs/dbraw/zinc/97/09/34/653970934.db2.gz	ZGQYQTAPXVCJKM-ONGXEEELSA-N	-1	1	397.222	2.078	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1	ZINC000849414540	654027185	/nfs/dbraw/zinc/02/71/85/654027185.db2.gz	KIPRQGXHTMQCGH-PRHODGIISA-N	-1	1	399.252	2.231	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c1Cl	ZINC000830530066	654124366	/nfs/dbraw/zinc/12/43/66/654124366.db2.gz	VHMUWUVZFNIAMK-SECBINFHSA-N	-1	1	399.252	2.376	20	5		GEBDMM
COCCOC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830691318	654136660	/nfs/dbraw/zinc/13/66/60/654136660.db2.gz	UXSDYGDWMAMCHX-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830872819	654148115	/nfs/dbraw/zinc/14/81/15/654148115.db2.gz	SBJNWASKWVGBDA-ZETCQYMHSA-N	-1	1	385.225	2.379	20	5		GEBDMM
C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[S@](C)=O	ZINC000830898030	654149110	/nfs/dbraw/zinc/14/91/10/654149110.db2.gz	UMHRNQPVAKSOAS-SGWXMTNESA-N	-1	1	389.282	2.337	20	5		GEBDMM
CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831101923	654164564	/nfs/dbraw/zinc/16/45/64/654164564.db2.gz	QLJRDQAJARCCND-GXSJLCMTSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@]1(O)CCCOC1	ZINC000851831842	654186436	/nfs/dbraw/zinc/18/64/36/654186436.db2.gz	AUYNAGIQAGNEJC-OAHLLOKOSA-N	-1	1	392.861	2.094	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3sc(Br)cc3[N+](=O)[O-])ccnc1-2	ZINC000801704436	654204688	/nfs/dbraw/zinc/20/46/88/654204688.db2.gz	LVNMSADHBYOBBR-UHFFFAOYSA-N	-1	1	382.199	2.326	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]([C@H](CO)C2CC2)C2CC2)cc1Cl	ZINC000832230397	654249329	/nfs/dbraw/zinc/24/93/29/654249329.db2.gz	CBMWNWUJKPJFOL-BMIGLBTASA-N	-1	1	392.836	2.463	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]([C@H](CO)C1CC1)C1CC1	ZINC000832232296	654249584	/nfs/dbraw/zinc/24/95/84/654249584.db2.gz	PTBIZKFZLALKKC-MEBBXXQBSA-N	-1	1	392.836	2.463	20	5		GEBDMM
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000171421884	531906476	/nfs/dbraw/zinc/90/64/76/531906476.db2.gz	HZZZSEYRKJTCGZ-NSHDSACASA-N	-1	1	392.275	2.120	20	5		GEBDMM
CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000180171300	532259970	/nfs/dbraw/zinc/25/99/70/532259970.db2.gz	YUSVPSJRKHLBAK-UHFFFAOYSA-N	-1	1	388.833	2.031	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000146581395	532297962	/nfs/dbraw/zinc/29/79/62/532297962.db2.gz	YWJBBDYNUWHGSP-NSHDSACASA-N	-1	1	378.834	2.112	20	5		GEBDMM
CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000191046439	532359298	/nfs/dbraw/zinc/35/92/98/532359298.db2.gz	PWVMOLVDOFPZRK-ZJUUUORDSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589922938	532364225	/nfs/dbraw/zinc/36/42/25/532364225.db2.gz	RFMIVZJTLMFVRG-WRWORJQWSA-N	-1	1	388.751	2.372	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCOC(F)F	ZINC000193969411	532440075	/nfs/dbraw/zinc/44/00/75/532440075.db2.gz	SVQMBWQXOWOAET-UHFFFAOYSA-N	-1	1	389.174	2.265	20	5		GEBDMM
CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295688399	532469802	/nfs/dbraw/zinc/46/98/02/532469802.db2.gz	LHVBGYGXCTVSCB-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
CCOC1CC(O)(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000296078872	532500343	/nfs/dbraw/zinc/50/03/43/532500343.db2.gz	GWDUUJSANGOEEQ-UHFFFAOYSA-N	-1	1	399.252	2.110	20	5		GEBDMM
CC(C)Cc1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1	ZINC000298151466	532629367	/nfs/dbraw/zinc/62/93/67/532629367.db2.gz	VXSKPYITQFKNKN-UHFFFAOYSA-N	-1	1	384.439	2.301	20	5		GEBDMM
COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000477127225	532646880	/nfs/dbraw/zinc/64/68/80/532646880.db2.gz	KRAKJGUEBJXEOV-UHFFFAOYSA-N	-1	1	388.423	2.031	20	5		GEBDMM
O=C(N[C@H](CCO)c1ccccc1Br)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445162346	532752529	/nfs/dbraw/zinc/75/25/29/532752529.db2.gz	QOZKUIBJEFXAGF-GFCCVEGCSA-N	-1	1	396.197	2.311	20	5		GEBDMM
O=C(NCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000302940076	532775516	/nfs/dbraw/zinc/77/55/16/532775516.db2.gz	HPSCDPMDTNDJJY-UHFFFAOYSA-N	-1	1	382.170	2.267	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000330500118	532819809	/nfs/dbraw/zinc/81/98/09/532819809.db2.gz	NDFCJBGNZFXIFP-LDYMZIIASA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1	ZINC000289694054	532863449	/nfs/dbraw/zinc/86/34/49/532863449.db2.gz	XRSPMRLJCLYEHK-UHFFFAOYSA-N	-1	1	376.847	2.449	20	5		GEBDMM
C[S@](=O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000289958630	532869135	/nfs/dbraw/zinc/86/91/35/532869135.db2.gz	STUACOSOQKPQKI-NRFANRHFSA-N	-1	1	387.266	2.091	20	5		GEBDMM
CSCC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1	ZINC000737178887	598499614	/nfs/dbraw/zinc/49/96/14/598499614.db2.gz	FSQRFULJNYBJBK-UHFFFAOYSA-N	-1	1	387.381	2.264	20	5		GEBDMM
CSCC(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1	ZINC000737178887	598499615	/nfs/dbraw/zinc/49/96/15/598499615.db2.gz	FSQRFULJNYBJBK-UHFFFAOYSA-N	-1	1	387.381	2.264	20	5		GEBDMM
COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc(OC)c1OC	ZINC000826179420	607450504	/nfs/dbraw/zinc/45/05/04/607450504.db2.gz	NPWYXDDAUFAOQF-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc(OC)c1OC	ZINC000826179420	607450506	/nfs/dbraw/zinc/45/05/06/607450506.db2.gz	NPWYXDDAUFAOQF-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)N2CCOCC2)o1	ZINC000826283796	607450588	/nfs/dbraw/zinc/45/05/88/607450588.db2.gz	ATLCMCYQNUBVIW-MRXNPFEDSA-N	-1	1	399.411	2.162	20	5		GEBDMM
Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)N2CCOCC2)o1	ZINC000826283796	607450589	/nfs/dbraw/zinc/45/05/89/607450589.db2.gz	ATLCMCYQNUBVIW-MRXNPFEDSA-N	-1	1	399.411	2.162	20	5		GEBDMM
O=C([O-])c1cc(NS(=O)(=O)CCOc2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000432207762	600690131	/nfs/dbraw/zinc/69/01/31/600690131.db2.gz	JDUYLVVLYNCOQK-UHFFFAOYSA-N	-1	1	384.341	2.253	20	5		GEBDMM
C[C@](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000827746889	600753515	/nfs/dbraw/zinc/75/35/15/600753515.db2.gz	HKHOYXXQAGWNLZ-GFCCVEGCSA-N	-1	1	383.209	2.433	20	5		GEBDMM
Cc1cc(N2CCN(C[C@@H](O)c3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891213	602316993	/nfs/dbraw/zinc/31/69/93/602316993.db2.gz	OWDWSQUJIUCYPK-GOSISDBHSA-N	-1	1	385.420	2.457	20	5		GEBDMM
Cc1ccc(C)c(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1C	ZINC000826285047	607575572	/nfs/dbraw/zinc/57/55/72/607575572.db2.gz	OFLGGWVMLRBOJD-UHFFFAOYSA-N	-1	1	389.393	2.468	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739872049	602829950	/nfs/dbraw/zinc/82/99/50/602829950.db2.gz	OTWVXKWHWBNJCL-TXEJJXNPSA-N	-1	1	380.401	2.005	20	5		GEBDMM
O=C([O-])N1CCC(N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C2CC2)CC1	ZINC000740509082	603049736	/nfs/dbraw/zinc/04/97/36/603049736.db2.gz	YVDMJDYJMBFPNT-UHFFFAOYSA-N	-1	1	386.412	2.418	20	5		GEBDMM
CCN([C@H]1CCCC[C@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825394382	607604727	/nfs/dbraw/zinc/60/47/27/607604727.db2.gz	BIYHHXSJEISXJY-NEPJUHHUSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CCN(CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000827151252	603114356	/nfs/dbraw/zinc/11/43/56/603114356.db2.gz	WYNJZZQGTBUENV-UHFFFAOYSA-N	-1	1	386.213	2.180	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1-c1nn[n-]n1	ZINC000826500261	607649964	/nfs/dbraw/zinc/64/99/64/607649964.db2.gz	QIPLCNDRRHYVGJ-SDDRHHMPSA-N	-1	1	392.441	2.022	20	5		GEBDMM
C[C@@H]1CC(C)(C)CC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824877579	607662264	/nfs/dbraw/zinc/66/22/64/607662264.db2.gz	YRZYQHGBZHLRKI-MNOVXSKESA-N	-1	1	394.457	2.268	20	5		GEBDMM
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000833715003	604701896	/nfs/dbraw/zinc/70/18/96/604701896.db2.gz	MWGGAWCLVZFIOY-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
O=C([O-])c1ccccc1C(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1	ZINC000833333026	604811948	/nfs/dbraw/zinc/81/19/48/604811948.db2.gz	LHZXHGAXUFNDAN-UHFFFAOYSA-N	-1	1	381.348	2.297	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1C(=O)[O-]	ZINC000833734515	604859538	/nfs/dbraw/zinc/85/95/38/604859538.db2.gz	JXDFHLWNRODRRZ-UHFFFAOYSA-N	-1	1	396.377	2.419	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]21	ZINC000834177855	605322559	/nfs/dbraw/zinc/32/25/59/605322559.db2.gz	DADROQIORCNRIX-RBSFLKMASA-N	-1	1	386.412	2.179	20	5		GEBDMM
CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])ccc1C	ZINC000833398816	605326946	/nfs/dbraw/zinc/32/69/46/605326946.db2.gz	RUFGYSLJOGNIJU-UHFFFAOYSA-N	-1	1	393.377	2.361	20	5		GEBDMM
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789339	605898898	/nfs/dbraw/zinc/89/88/98/605898898.db2.gz	IOFNVESBAQUHOQ-ZDUSSCGKSA-N	-1	1	376.413	2.388	20	5		GEBDMM
Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)cc1[N+](=O)[O-]	ZINC000822209431	606441780	/nfs/dbraw/zinc/44/17/80/606441780.db2.gz	IUYZLMRQBQPNAU-UHFFFAOYSA-N	-1	1	377.796	2.087	20	5		GEBDMM
Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)cc1[N+](=O)[O-]	ZINC000822209431	606441781	/nfs/dbraw/zinc/44/17/81/606441781.db2.gz	IUYZLMRQBQPNAU-UHFFFAOYSA-N	-1	1	377.796	2.087	20	5		GEBDMM
COc1cc2c(cc1OC)CN(c1ccc(-c3nn[n-]n3)c([N+](=O)[O-])c1)CC2	ZINC000821727656	606644998	/nfs/dbraw/zinc/64/49/98/606644998.db2.gz	LXEVDTRGGCOOSQ-UHFFFAOYSA-N	-1	1	382.380	2.355	20	5		GEBDMM
COc1cc(OC)c(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(OC)c1	ZINC000821724734	606645417	/nfs/dbraw/zinc/64/54/17/606645417.db2.gz	XDZYDTZWPAIONB-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
COc1ccc(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000821790557	606703474	/nfs/dbraw/zinc/70/34/74/606703474.db2.gz	QPMSIGJKKXWNMC-UHFFFAOYSA-N	-1	1	385.384	2.232	20	5		GEBDMM
COc1ccc(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000821790557	606703475	/nfs/dbraw/zinc/70/34/75/606703475.db2.gz	QPMSIGJKKXWNMC-UHFFFAOYSA-N	-1	1	385.384	2.232	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccnc1N1CCCCC1	ZINC000823624920	606703980	/nfs/dbraw/zinc/70/39/80/606703980.db2.gz	KXWOYRKPJXMLOU-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccnc1N1CCCCC1	ZINC000823624920	606703982	/nfs/dbraw/zinc/70/39/82/606703982.db2.gz	KXWOYRKPJXMLOU-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
CCc1nc2ccccc2n1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821508784	606704518	/nfs/dbraw/zinc/70/45/18/606704518.db2.gz	BBSPPSYDMASHTC-UHFFFAOYSA-N	-1	1	379.384	2.194	20	5		GEBDMM
CCc1nc2ccccc2n1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821508784	606704520	/nfs/dbraw/zinc/70/45/20/606704520.db2.gz	BBSPPSYDMASHTC-UHFFFAOYSA-N	-1	1	379.384	2.194	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000823620691	606711184	/nfs/dbraw/zinc/71/11/84/606711184.db2.gz	OMHVBJIKKHMHEE-GFCCVEGCSA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCN(c2cccc(F)c2)C1	ZINC000823620691	606711185	/nfs/dbraw/zinc/71/11/85/606711185.db2.gz	OMHVBJIKKHMHEE-GFCCVEGCSA-N	-1	1	384.375	2.390	20	5		GEBDMM
C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000820777034	606711716	/nfs/dbraw/zinc/71/17/16/606711716.db2.gz	OYJBHZLDKMUSAN-IINYFYTJSA-N	-1	1	385.359	2.275	20	5		GEBDMM
C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000820777034	606711718	/nfs/dbraw/zinc/71/17/18/606711718.db2.gz	OYJBHZLDKMUSAN-IINYFYTJSA-N	-1	1	385.359	2.275	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](COCc2ccccc2)C1	ZINC000823619887	606714308	/nfs/dbraw/zinc/71/43/08/606714308.db2.gz	CNXPIRVYLNSJAS-CQSZACIVSA-N	-1	1	381.396	2.213	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](COCc2ccccc2)C1	ZINC000823619887	606714310	/nfs/dbraw/zinc/71/43/10/606714310.db2.gz	CNXPIRVYLNSJAS-CQSZACIVSA-N	-1	1	381.396	2.213	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000823619814	606720146	/nfs/dbraw/zinc/72/01/46/606720146.db2.gz	BLPLPWQLFASYQV-SECBINFHSA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCN(c2c(F)cccc2F)C1	ZINC000823619814	606720147	/nfs/dbraw/zinc/72/01/47/606720147.db2.gz	BLPLPWQLFASYQV-SECBINFHSA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000823639872	606720364	/nfs/dbraw/zinc/72/03/64/606720364.db2.gz	KCYDGTCRCKOLHZ-UHFFFAOYSA-N	-1	1	376.720	2.344	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000823639872	606720365	/nfs/dbraw/zinc/72/03/65/606720365.db2.gz	KCYDGTCRCKOLHZ-UHFFFAOYSA-N	-1	1	376.720	2.344	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])c(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1	ZINC000822270911	606722043	/nfs/dbraw/zinc/72/20/43/606722043.db2.gz	CMSKLTCMZZDOIX-UHFFFAOYSA-N	-1	1	396.411	2.275	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C2CCCC2)c1-c1nn[n-]n1	ZINC000823646883	606733783	/nfs/dbraw/zinc/73/37/83/606733783.db2.gz	CCDCCJDYDLGVFT-LBPRGKRZSA-N	-1	1	392.441	2.118	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000822203068	607117679	/nfs/dbraw/zinc/11/76/79/607117679.db2.gz	CLEQVTJQMALEPC-UHFFFAOYSA-N	-1	1	396.335	2.162	20	5		GEBDMM
O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)s1	ZINC000823391693	607133415	/nfs/dbraw/zinc/13/34/15/607133415.db2.gz	BUSRUALKVBAAOF-ZJUUUORDSA-N	-1	1	389.397	2.374	20	5		GEBDMM
O=C(O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)s1	ZINC000823391693	607133416	/nfs/dbraw/zinc/13/34/16/607133416.db2.gz	BUSRUALKVBAAOF-ZJUUUORDSA-N	-1	1	389.397	2.374	20	5		GEBDMM
C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820570518	607153231	/nfs/dbraw/zinc/15/32/31/607153231.db2.gz	LLTCCJVKKJAZKQ-LLVKDONJSA-N	-1	1	388.409	2.157	20	5		GEBDMM
CCN(CC)C(=O)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821175656	607162833	/nfs/dbraw/zinc/16/28/33/607162833.db2.gz	ROHMORKJALEFLR-UHFFFAOYSA-N	-1	1	382.384	2.396	20	5		GEBDMM
CCN(CC)C(=O)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821175656	607162834	/nfs/dbraw/zinc/16/28/34/607162834.db2.gz	ROHMORKJALEFLR-UHFFFAOYSA-N	-1	1	382.384	2.396	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000823619976	607162982	/nfs/dbraw/zinc/16/29/82/607162982.db2.gz	DSOCDFIUYBAASA-ZDUSSCGKSA-N	-1	1	395.379	2.283	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000823619976	607162983	/nfs/dbraw/zinc/16/29/83/607162983.db2.gz	DSOCDFIUYBAASA-ZDUSSCGKSA-N	-1	1	395.379	2.283	20	5		GEBDMM
Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1-c1ccccc1	ZINC000822604930	607164761	/nfs/dbraw/zinc/16/47/61/607164761.db2.gz	QZRMVMQOSATISW-UHFFFAOYSA-N	-1	1	381.381	2.117	20	5		GEBDMM
Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1-c1ccccc1	ZINC000822604930	607164762	/nfs/dbraw/zinc/16/47/62/607164762.db2.gz	QZRMVMQOSATISW-UHFFFAOYSA-N	-1	1	381.381	2.117	20	5		GEBDMM
COc1ccc([C@@H](OC)[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826189673	608239057	/nfs/dbraw/zinc/23/90/57/608239057.db2.gz	BCCJESKCNSIYNT-BONVTDFDSA-N	-1	1	385.384	2.367	20	5		GEBDMM
COc1ccc([C@@H](OC)[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826189673	608239058	/nfs/dbraw/zinc/23/90/58/608239058.db2.gz	BCCJESKCNSIYNT-BONVTDFDSA-N	-1	1	385.384	2.367	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCc2ccccc2F)CC1	ZINC000826497030	608558909	/nfs/dbraw/zinc/55/89/09/608558909.db2.gz	ROITYZFSMIJJGV-UHFFFAOYSA-N	-1	1	399.386	2.495	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCc2ccccc2F)CC1	ZINC000826497030	608558911	/nfs/dbraw/zinc/55/89/11/608558911.db2.gz	ROITYZFSMIJJGV-UHFFFAOYSA-N	-1	1	399.386	2.495	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1n[nH]c(C2CC2)n1	ZINC000451681785	650132917	/nfs/dbraw/zinc/13/29/17/650132917.db2.gz	YHGARZYPUBYBRS-UHFFFAOYSA-N	-1	1	392.224	2.376	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC12CCOCC2	ZINC000451893904	650150858	/nfs/dbraw/zinc/15/08/58/650150858.db2.gz	UHRRLZZGBPBFPV-LBPRGKRZSA-N	-1	1	391.243	2.205	20	5		GEBDMM
COC(=O)CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1	ZINC000472709803	650521767	/nfs/dbraw/zinc/52/17/67/650521767.db2.gz	ZHZGCUOJHOYSMZ-UHFFFAOYSA-N	-1	1	376.456	2.448	20	5		GEBDMM
CCOC(=O)CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)s1	ZINC000054704715	642756342	/nfs/dbraw/zinc/75/63/42/642756342.db2.gz	FYXDQGCTZOUPEP-UHFFFAOYSA-N	-1	1	386.386	2.493	20	5		GEBDMM
CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000534942081	650782596	/nfs/dbraw/zinc/78/25/96/650782596.db2.gz	OARWQSCVGXAXFU-UHFFFAOYSA-N	-1	1	384.435	2.498	20	5		GEBDMM
O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1	ZINC000064245148	642871413	/nfs/dbraw/zinc/87/14/13/642871413.db2.gz	RMVPLSNXRYPCBS-UHFFFAOYSA-N	-1	1	389.842	2.018	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1	ZINC000101575681	643109590	/nfs/dbraw/zinc/10/95/90/643109590.db2.gz	PTOACNZYBSYNSS-SECBINFHSA-N	-1	1	387.767	2.163	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(F)(F)F	ZINC000497932979	650841848	/nfs/dbraw/zinc/84/18/48/650841848.db2.gz	AUHDDAUAMOUJMC-PSASIEDQSA-N	-1	1	376.740	2.228	20	5		GEBDMM
CNC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1	ZINC000120094533	643591694	/nfs/dbraw/zinc/59/16/94/643591694.db2.gz	BZTZESNWOYLVKV-UHFFFAOYSA-N	-1	1	375.815	2.470	20	5		GEBDMM
C[C@@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1	ZINC000121131219	643628826	/nfs/dbraw/zinc/62/88/26/643628826.db2.gz	KSNABRIKGWBCAV-CYBMUJFWSA-N	-1	1	376.843	2.496	20	5		GEBDMM
CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000121672845	643637951	/nfs/dbraw/zinc/63/79/51/643637951.db2.gz	DZULQJPUYIYOLD-UHFFFAOYSA-N	-1	1	395.275	2.434	20	5		GEBDMM
O=C([N-]n1cnc2ccccc2c1=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000154093756	644017023	/nfs/dbraw/zinc/01/70/23/644017023.db2.gz	AKWLEKNOJZSNRS-UHFFFAOYSA-N	-1	1	389.165	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21	ZINC000162201912	644233441	/nfs/dbraw/zinc/23/34/41/644233441.db2.gz	RELNBSDLOURGOM-INIZCTEOSA-N	-1	1	382.825	2.361	20	5		GEBDMM
Cc1cc(F)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1[N+](=O)[O-]	ZINC000165453749	644270790	/nfs/dbraw/zinc/27/07/90/644270790.db2.gz	ZJLZEFWACWJJSX-UHFFFAOYSA-N	-1	1	383.386	2.352	20	5		GEBDMM
COc1ccc(Br)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193493958	645278792	/nfs/dbraw/zinc/27/87/92/645278792.db2.gz	XCMBZARKWUDSBI-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1-c1noc(C[N-]S(=O)(=O)c2cccs2)n1	ZINC000547101671	651017208	/nfs/dbraw/zinc/01/72/08/651017208.db2.gz	PPERTQCOXGIUMA-UHFFFAOYSA-N	-1	1	380.407	2.493	20	5		GEBDMM
CSC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000266158711	645827840	/nfs/dbraw/zinc/82/78/40/645827840.db2.gz	GZMBMXHQCNGWRM-UHFFFAOYSA-N	-1	1	380.875	2.439	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCSC2)C1	ZINC000269108426	646016359	/nfs/dbraw/zinc/01/63/59/646016359.db2.gz	CHZCNBDBXIXYMA-QMTHXVAHSA-N	-1	1	376.431	2.067	20	5		GEBDMM
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000271310805	646190123	/nfs/dbraw/zinc/19/01/23/646190123.db2.gz	YPWKABQSRHGHKQ-UWVGGRQHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCn1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1	ZINC000285650307	646861353	/nfs/dbraw/zinc/86/13/53/646861353.db2.gz	PABSXAIIEBIRIO-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
C[C@@]1(CO)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000331200091	647369563	/nfs/dbraw/zinc/36/95/63/647369563.db2.gz	WGYLJSUHELFUNP-STQMWFEESA-N	-1	1	393.259	2.187	20	5		GEBDMM
CCn1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1	ZINC000416488846	648145084	/nfs/dbraw/zinc/14/50/84/648145084.db2.gz	PYMBOSCUJPDDRN-UHFFFAOYSA-N	-1	1	378.332	2.309	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F	ZINC000416611076	648186897	/nfs/dbraw/zinc/18/68/97/648186897.db2.gz	XJMXSAXJCRLNIA-QMMMGPOBSA-N	-1	1	384.332	2.233	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)C(C)C	ZINC000416632504	648194824	/nfs/dbraw/zinc/19/48/24/648194824.db2.gz	WMSUYZMXVKPSKI-GWCFXTLKSA-N	-1	1	395.275	2.431	20	5		GEBDMM
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1[O-]	ZINC000436938933	648799022	/nfs/dbraw/zinc/79/90/22/648799022.db2.gz	WPLQVOZNACPSOP-UHFFFAOYSA-N	-1	1	384.797	2.158	20	5		GEBDMM
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000559148343	651291687	/nfs/dbraw/zinc/29/16/87/651291687.db2.gz	AXTKERPUKRDKFT-LBPRGKRZSA-N	-1	1	383.813	2.143	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOCC1CCOCC1	ZINC000610135909	651647315	/nfs/dbraw/zinc/64/73/15/651647315.db2.gz	WBZDAPOCIOKVFS-UHFFFAOYSA-N	-1	1	392.861	2.360	20	5		GEBDMM
COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1	ZINC000741648247	651954495	/nfs/dbraw/zinc/95/44/95/651954495.db2.gz	XZDJPGGSVKVWPG-UHFFFAOYSA-N	-1	1	385.785	2.418	20	5		GEBDMM
CC(C)Oc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000751429578	652348553	/nfs/dbraw/zinc/34/85/53/652348553.db2.gz	GHYKHMJEBLNIAJ-ZDUSSCGKSA-N	-1	1	386.451	2.455	20	5		GEBDMM
CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000751982858	652375277	/nfs/dbraw/zinc/37/52/77/652375277.db2.gz	RLTZDWHBGDHEAM-NSHDSACASA-N	-1	1	376.818	2.258	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1SC	ZINC000592104410	652586180	/nfs/dbraw/zinc/58/61/80/652586180.db2.gz	IYVMHXCWWMOPPO-JLLWLGSASA-N	-1	1	380.875	2.436	20	5		GEBDMM
COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)n1	ZINC000760324791	652603806	/nfs/dbraw/zinc/60/38/06/652603806.db2.gz	BVMRWZOBBSDAPU-UHFFFAOYSA-N	-1	1	388.745	2.361	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1	ZINC000595376051	652717505	/nfs/dbraw/zinc/71/75/05/652717505.db2.gz	WBDIKQVSSWQWBL-UHFFFAOYSA-N	-1	1	384.788	2.467	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)F	ZINC000599398017	652866873	/nfs/dbraw/zinc/86/68/73/652866873.db2.gz	RDMOSQFJRXPUAQ-VIFPVBQESA-N	-1	1	383.804	2.256	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1	ZINC000766862988	652901486	/nfs/dbraw/zinc/90/14/86/652901486.db2.gz	XECCGRXVOYYBGV-CYBMUJFWSA-N	-1	1	388.804	2.269	20	5		GEBDMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1	ZINC000769909414	653189771	/nfs/dbraw/zinc/18/97/71/653189771.db2.gz	UNKFMMSITMMDRF-ZCFIWIBFSA-N	-1	1	391.203	2.088	20	5		GEBDMM
CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000774797670	653259063	/nfs/dbraw/zinc/25/90/63/653259063.db2.gz	LQSSLXVSLGAURG-SKDRFNHKSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]2CCO[C@@H]21	ZINC000809821888	653301684	/nfs/dbraw/zinc/30/16/84/653301684.db2.gz	VBJZQSUAZZLICS-BLBGDKDGSA-N	-1	1	378.809	2.479	20	5		GEBDMM
CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831230	653306198	/nfs/dbraw/zinc/30/61/98/653306198.db2.gz	BMQBYLCSUTVEOA-SFYZADRCSA-N	-1	1	382.797	2.253	20	5		GEBDMM
O=C([O-])C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)F	ZINC000837292193	653421932	/nfs/dbraw/zinc/42/19/32/653421932.db2.gz	ICWXETNKADIJBD-YFKPBYRVSA-N	-1	1	390.723	2.022	20	5		GEBDMM
CCC(CC)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000815019031	653644172	/nfs/dbraw/zinc/64/41/72/653644172.db2.gz	GPDDUIKVOPDOLN-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815022852	653644978	/nfs/dbraw/zinc/64/49/78/653644978.db2.gz	BAFYZEVMCMWNJG-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000817154393	653704982	/nfs/dbraw/zinc/70/49/82/653704982.db2.gz	QOXAYCXINBBJRJ-JTQLQIEISA-N	-1	1	378.834	2.111	20	5		GEBDMM
COCC[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000841554736	653732260	/nfs/dbraw/zinc/73/22/60/653732260.db2.gz	QNXKOBSRLYZFGA-VIFPVBQESA-N	-1	1	381.248	2.308	20	5		GEBDMM
C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000791422403	653813405	/nfs/dbraw/zinc/81/34/05/653813405.db2.gz	FEBPOXXEHVRHQZ-QMMMGPOBSA-N	-1	1	379.225	2.465	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1	ZINC000795896985	653975901	/nfs/dbraw/zinc/97/59/01/653975901.db2.gz	QZXZVFQHMWHKCT-ZKCHVHJHSA-N	-1	1	397.222	2.078	20	5		GEBDMM
C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795926996	653977869	/nfs/dbraw/zinc/97/78/69/653977869.db2.gz	ADAXHLWAANFJAL-KZUAUGPASA-N	-1	1	397.222	2.102	20	5		GEBDMM
C[S@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1	ZINC000796241849	653993739	/nfs/dbraw/zinc/99/37/39/653993739.db2.gz	XYESOFBCWOBLQV-DEOSSOPVSA-N	-1	1	386.426	2.091	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCOCC1	ZINC000849419844	654029316	/nfs/dbraw/zinc/02/93/16/654029316.db2.gz	QAEOKAOSWVPCPU-LBPRGKRZSA-N	-1	1	396.824	2.107	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	ZINC000849458155	654040002	/nfs/dbraw/zinc/04/00/02/654040002.db2.gz	CZIRENFNFJDFBX-NEPJUHHUSA-N	-1	1	382.772	2.341	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c(Cl)cc1Cl	ZINC000849471062	654043939	/nfs/dbraw/zinc/04/39/39/654043939.db2.gz	KGHWSTWDJFLKKD-NEPJUHHUSA-N	-1	1	381.237	2.483	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccnc1-2	ZINC000798233572	654056048	/nfs/dbraw/zinc/05/60/48/654056048.db2.gz	AIHAEPWOKMEEAB-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
Cn1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1=O	ZINC000798247744	654056745	/nfs/dbraw/zinc/05/67/45/654056745.db2.gz	GCUYVOHMARSFNR-UHFFFAOYSA-N	-1	1	378.193	2.401	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)c1Cl	ZINC000830191239	654104948	/nfs/dbraw/zinc/10/49/48/654104948.db2.gz	ZBZAFBSLBHRIDR-QMMMGPOBSA-N	-1	1	380.253	2.417	20	5		GEBDMM
CCN(CC)C(=O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830200292	654105529	/nfs/dbraw/zinc/10/55/29/654105529.db2.gz	CKCZFRZQDALOGS-UHFFFAOYSA-N	-1	1	384.241	2.048	20	5		GEBDMM
NC(=O)C1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000830434255	654117736	/nfs/dbraw/zinc/11/77/36/654117736.db2.gz	JDMZNRTUCHDQKL-UHFFFAOYSA-N	-1	1	396.252	2.224	20	5		GEBDMM
COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000832041215	654226931	/nfs/dbraw/zinc/22/69/31/654226931.db2.gz	PVIWIZWVUSUEOR-XCBNKYQSSA-N	-1	1	380.781	2.007	20	5		GEBDMM
C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1	ZINC000156151787	531718908	/nfs/dbraw/zinc/71/89/08/531718908.db2.gz	YMVVNLYARFBSID-LBPRGKRZSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1nccs1	ZINC000171424592	531906249	/nfs/dbraw/zinc/90/62/49/531906249.db2.gz	HBZOMLXZJVRXBF-UHFFFAOYSA-N	-1	1	392.256	2.335	20	5		GEBDMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120698699	531990844	/nfs/dbraw/zinc/99/08/44/531990844.db2.gz	HPJREYCIYRWANA-DTWKUNHWSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000123745784	532106075	/nfs/dbraw/zinc/10/60/75/532106075.db2.gz	PYCBMIIOTGYMNA-JTQLQIEISA-N	-1	1	395.275	2.434	20	5		GEBDMM
C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000182475565	532313801	/nfs/dbraw/zinc/31/38/01/532313801.db2.gz	ZEEKIIPIPWAYPU-VIFPVBQESA-N	-1	1	395.275	2.433	20	5		GEBDMM
CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000191046413	532359320	/nfs/dbraw/zinc/35/93/20/532359320.db2.gz	PWVMOLVDOFPZRK-UWVGGRQHSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295090501	532402819	/nfs/dbraw/zinc/40/28/19/532402819.db2.gz	FGGBRUTUNRVGFC-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
COC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000295149657	532409444	/nfs/dbraw/zinc/40/94/44/532409444.db2.gz	BIZJLQKHBWBFCQ-UHFFFAOYSA-N	-1	1	385.320	2.392	20	5		GEBDMM
Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000281150560	532420972	/nfs/dbraw/zinc/42/09/72/532420972.db2.gz	KOKXPASFCPKXIV-LLVKDONJSA-N	-1	1	388.808	2.477	20	5		GEBDMM
CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295254780	532425570	/nfs/dbraw/zinc/42/55/70/532425570.db2.gz	ZMWKBSTTYVMEHZ-IMTBSYHQSA-N	-1	1	389.282	2.292	20	5		GEBDMM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295257927	532425944	/nfs/dbraw/zinc/42/59/44/532425944.db2.gz	KZZIPNYBCNNTBE-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1	ZINC000295256103	532426517	/nfs/dbraw/zinc/42/65/17/532426517.db2.gz	QYIIVNCXNDDRQQ-SNVBAGLBSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C	ZINC000466877517	532436544	/nfs/dbraw/zinc/43/65/44/532436544.db2.gz	MMLBOTWOMSRHTD-LLVKDONJSA-N	-1	1	381.248	2.307	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCSC1	ZINC000228562400	532489456	/nfs/dbraw/zinc/48/94/56/532489456.db2.gz	FRHZOFFXHMLOIM-QMMMGPOBSA-N	-1	1	381.273	2.389	20	5		GEBDMM
CN(C)C[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000594782283	532527214	/nfs/dbraw/zinc/52/72/14/532527214.db2.gz	VGEULZZZUHGAFU-CYBMUJFWSA-N	-1	1	384.845	2.224	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccccc1Br	ZINC000564765312	532530461	/nfs/dbraw/zinc/53/04/61/532530461.db2.gz	GYMHILJCTIHINZ-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000249466202	532566395	/nfs/dbraw/zinc/56/63/95/532566395.db2.gz	GUYPCADEFBYOJT-UMNHJUIQSA-N	-1	1	391.243	2.203	20	5		GEBDMM
C/C=C\C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000433885338	532582357	/nfs/dbraw/zinc/58/23/57/532582357.db2.gz	NDTDJYQELWBFTB-MZBZXASESA-N	-1	1	376.818	2.424	20	5		GEBDMM
CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n[nH]1	ZINC000297165101	532570378	/nfs/dbraw/zinc/57/03/78/532570378.db2.gz	SDGATQAQCRRCEM-UHFFFAOYSA-N	-1	1	380.213	2.061	20	5		GEBDMM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000435632881	532623795	/nfs/dbraw/zinc/62/37/95/532623795.db2.gz	UGFXBFJURKJMGD-ZJUUUORDSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC2(CC1)OCCO2	ZINC000263760944	532639181	/nfs/dbraw/zinc/63/91/81/532639181.db2.gz	YVWWYEDVJPPEQG-UHFFFAOYSA-N	-1	1	376.818	2.212	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCSCc2ccccc2F)c([N+](=O)[O-])n1	ZINC000532855176	532657971	/nfs/dbraw/zinc/65/79/71/532657971.db2.gz	MZEPXEOQMMXICL-UHFFFAOYSA-N	-1	1	388.446	2.162	20	5		GEBDMM
COC(=O)c1cc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)cc([N+](=O)[O-])c1	ZINC000503425479	532746968	/nfs/dbraw/zinc/74/69/68/532746968.db2.gz	LMOLZCNFJXZYFL-UHFFFAOYSA-N	-1	1	384.391	2.099	20	5		GEBDMM
COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274204851	532844101	/nfs/dbraw/zinc/84/41/01/532844101.db2.gz	OZCLTTZXHXHJDJ-MRVPVSSYSA-N	-1	1	390.723	2.021	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)o2)cc1Cl	ZINC000289714306	532864046	/nfs/dbraw/zinc/86/40/46/532864046.db2.gz	FMGUHMSNEMGBRE-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F	ZINC000416439163	532877144	/nfs/dbraw/zinc/87/71/44/532877144.db2.gz	LJPCVSYRBCQOGA-ZETCQYMHSA-N	-1	1	396.265	2.205	20	5		GEBDMM
NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290744135	532888161	/nfs/dbraw/zinc/88/81/61/532888161.db2.gz	MFJGKXOXWNQPSS-OIBJUYFYSA-N	-1	1	396.252	2.224	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1	ZINC000361180608	532892247	/nfs/dbraw/zinc/89/22/47/532892247.db2.gz	WQOMPEQXHYHMCA-ZWNOBZJWSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1	ZINC000361178579	532892740	/nfs/dbraw/zinc/89/27/40/532892740.db2.gz	FKNLTAIJCITIMV-GWCFXTLKSA-N	-1	1	391.243	2.203	20	5		GEBDMM
Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1	ZINC000276794557	532901461	/nfs/dbraw/zinc/90/14/61/532901461.db2.gz	KAEYIOWDCGFAAW-UHFFFAOYSA-N	-1	1	386.411	2.363	20	5		GEBDMM
O=[N+]([O-])c1ccc(OCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1	ZINC000738367299	598968349	/nfs/dbraw/zinc/96/83/49/598968349.db2.gz	PZATWDBHZOWSHT-UHFFFAOYSA-N	-1	1	378.352	2.209	20	5		GEBDMM
O=[N+]([O-])c1ccc(OCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1	ZINC000738367299	598968350	/nfs/dbraw/zinc/96/83/50/598968350.db2.gz	PZATWDBHZOWSHT-UHFFFAOYSA-N	-1	1	378.352	2.209	20	5		GEBDMM
O=C([O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1	ZINC000547871568	600343430	/nfs/dbraw/zinc/34/34/30/600343430.db2.gz	QEFIACMVBXUVHF-JTQLQIEISA-N	-1	1	376.799	2.414	20	5		GEBDMM
C[C@@H](CN(C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000736570635	600364208	/nfs/dbraw/zinc/36/42/08/600364208.db2.gz	DNUAXKZCNRCCAC-JTQLQIEISA-N	-1	1	378.410	2.309	20	5		GEBDMM
COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(OC)c1OC	ZINC000826203672	607451780	/nfs/dbraw/zinc/45/17/80/607451780.db2.gz	AQJMWJWDEXWLDG-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(OC)c1OC	ZINC000826203672	607451782	/nfs/dbraw/zinc/45/17/82/607451782.db2.gz	AQJMWJWDEXWLDG-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832856242	600691485	/nfs/dbraw/zinc/69/14/85/600691485.db2.gz	MWCXFQWKFFFQMT-UHFFFAOYSA-N	-1	1	381.322	2.310	20	5		GEBDMM
O=C([O-])c1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1	ZINC000833099587	600961466	/nfs/dbraw/zinc/96/14/66/600961466.db2.gz	FDZYLWLGOJKGRF-UHFFFAOYSA-N	-1	1	398.419	2.444	20	5		GEBDMM
O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000776576175	601613885	/nfs/dbraw/zinc/61/38/85/601613885.db2.gz	WTOGQHKUHDZXMZ-SECBINFHSA-N	-1	1	383.209	2.433	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1[N+](=O)[O-]	ZINC000504680605	602307802	/nfs/dbraw/zinc/30/78/02/602307802.db2.gz	NIHWNCVJSJVJHZ-UHFFFAOYSA-N	-1	1	396.377	2.258	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(Cl)c1	ZINC000826499837	607572694	/nfs/dbraw/zinc/57/26/94/607572694.db2.gz	ZRKAAWUUGUMPAF-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(Cl)c1	ZINC000826499837	607572695	/nfs/dbraw/zinc/57/26/95/607572695.db2.gz	ZRKAAWUUGUMPAF-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
Cc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000826292871	607580620	/nfs/dbraw/zinc/58/06/20/607580620.db2.gz	PPTMMZLSUJKASD-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CCCCCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825272140	607581802	/nfs/dbraw/zinc/58/18/02/607581802.db2.gz	WJGRSMOJWDTNBT-NSHDSACASA-N	-1	1	382.446	2.412	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1-c1nn[n-]n1	ZINC000826500132	607648341	/nfs/dbraw/zinc/64/83/41/607648341.db2.gz	MHAQJFDVVLROPP-VXGBXAGGSA-N	-1	1	392.441	2.022	20	5		GEBDMM
COc1ccc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000829453104	603836873	/nfs/dbraw/zinc/83/68/73/603836873.db2.gz	ALLNSIDODBAEQX-UHFFFAOYSA-N	-1	1	380.401	2.053	20	5		GEBDMM
O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCO2	ZINC000832828338	603889165	/nfs/dbraw/zinc/88/91/65/603889165.db2.gz	FRUXWLJXVALTMQ-UHFFFAOYSA-N	-1	1	381.322	2.214	20	5		GEBDMM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1[N+](=O)[O-]	ZINC000566934746	605166741	/nfs/dbraw/zinc/16/67/41/605166741.db2.gz	QYIMIVHNCGOVBF-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000824453083	605373625	/nfs/dbraw/zinc/37/36/25/605373625.db2.gz	HFGDXCQJOSPSSM-NWDGAFQWSA-N	-1	1	379.417	2.436	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031424	605520052	/nfs/dbraw/zinc/52/00/52/605520052.db2.gz	ZDSJRIOXELCLJR-NVXWUHKLSA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nnn[n-]2)s1	ZINC000823417692	606135827	/nfs/dbraw/zinc/13/58/27/606135827.db2.gz	FOTGMIRZAPNCEO-UHFFFAOYSA-N	-1	1	389.349	2.060	20	5		GEBDMM
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(-c2nn[n-]n2)s1	ZINC000823417692	606135829	/nfs/dbraw/zinc/13/58/29/606135829.db2.gz	FOTGMIRZAPNCEO-UHFFFAOYSA-N	-1	1	389.349	2.060	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC000823621143	606699875	/nfs/dbraw/zinc/69/98/75/606699875.db2.gz	WTWVWOWCVWOOJZ-CYBMUJFWSA-N	-1	1	387.787	2.401	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1	ZINC000823621143	606699876	/nfs/dbraw/zinc/69/98/76/606699876.db2.gz	WTWVWOWCVWOOJZ-CYBMUJFWSA-N	-1	1	387.787	2.401	20	5		GEBDMM
COCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1F	ZINC000821693608	606701451	/nfs/dbraw/zinc/70/14/51/606701451.db2.gz	GKNSNBXIXDEJJD-UHFFFAOYSA-N	-1	1	375.320	2.078	20	5		GEBDMM
COCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1F	ZINC000821693608	606701453	/nfs/dbraw/zinc/70/14/53/606701453.db2.gz	GKNSNBXIXDEJJD-UHFFFAOYSA-N	-1	1	375.320	2.078	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCN(c2ccc(F)cc2F)C1	ZINC000823620957	606709282	/nfs/dbraw/zinc/70/92/82/606709282.db2.gz	UQDGQNDWFRPVNC-JTQLQIEISA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCN(c2ccc(F)cc2F)C1	ZINC000823620957	606709283	/nfs/dbraw/zinc/70/92/83/606709283.db2.gz	UQDGQNDWFRPVNC-JTQLQIEISA-N	-1	1	388.338	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(Oc2ccc(F)cc2)CC1	ZINC000823620676	606711219	/nfs/dbraw/zinc/71/12/19/606711219.db2.gz	OEJDDVAOTIAQGO-UHFFFAOYSA-N	-1	1	385.359	2.357	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(Oc2ccc(F)cc2)CC1	ZINC000823620676	606711220	/nfs/dbraw/zinc/71/12/20/606711220.db2.gz	OEJDDVAOTIAQGO-UHFFFAOYSA-N	-1	1	385.359	2.357	20	5		GEBDMM
C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000820777098	606711875	/nfs/dbraw/zinc/71/18/75/606711875.db2.gz	OYJBHZLDKMUSAN-YGRLFVJLSA-N	-1	1	385.359	2.275	20	5		GEBDMM
C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1	ZINC000820777098	606711876	/nfs/dbraw/zinc/71/18/76/606711876.db2.gz	OYJBHZLDKMUSAN-YGRLFVJLSA-N	-1	1	385.359	2.275	20	5		GEBDMM
COC(=O)C(C)(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821639155	606712360	/nfs/dbraw/zinc/71/23/60/606712360.db2.gz	QVSMIYQXDANEGJ-UHFFFAOYSA-N	-1	1	383.368	2.364	20	5		GEBDMM
COC(=O)C(C)(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821639155	606712362	/nfs/dbraw/zinc/71/23/62/606712362.db2.gz	QVSMIYQXDANEGJ-UHFFFAOYSA-N	-1	1	383.368	2.364	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000823647171	606739001	/nfs/dbraw/zinc/73/90/01/606739001.db2.gz	HOOHKPFKVZBIJM-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
Cc1cc(C)c(NC(=O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1	ZINC000822194195	607162765	/nfs/dbraw/zinc/16/27/65/607162765.db2.gz	MMCANFAKZVMKQN-UHFFFAOYSA-N	-1	1	382.384	2.146	20	5		GEBDMM
Cc1cc(C)c(NC(=O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1	ZINC000822194195	607162766	/nfs/dbraw/zinc/16/27/66/607162766.db2.gz	MMCANFAKZVMKQN-UHFFFAOYSA-N	-1	1	382.384	2.146	20	5		GEBDMM
Cc1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)c1-c1nn[n-]n1	ZINC000826272592	607866682	/nfs/dbraw/zinc/86/66/82/607866682.db2.gz	RGAIJHPJXRWBPN-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1	ZINC000826499509	607867387	/nfs/dbraw/zinc/86/73/87/607867387.db2.gz	LMWMLXFQXYRYBH-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1	ZINC000826499509	607867388	/nfs/dbraw/zinc/86/73/88/607867388.db2.gz	LMWMLXFQXYRYBH-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc([N+](=O)[O-])c1F	ZINC000826272384	608528358	/nfs/dbraw/zinc/52/83/58/608528358.db2.gz	GPNWXBMVERTLNY-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
O=C(CCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OCc1ccccc1	ZINC000826406128	609391004	/nfs/dbraw/zinc/39/10/04/609391004.db2.gz	JIHBCNSFWZGWKA-UHFFFAOYSA-N	-1	1	397.395	2.496	20	5		GEBDMM
O=C(CCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OCc1ccccc1	ZINC000826406128	609391007	/nfs/dbraw/zinc/39/10/07/609391007.db2.gz	JIHBCNSFWZGWKA-UHFFFAOYSA-N	-1	1	397.395	2.496	20	5		GEBDMM
CN(C)C(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1	ZINC000451772160	650141143	/nfs/dbraw/zinc/14/11/43/650141143.db2.gz	JRJFILATOJMCKG-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)CC	ZINC000451976115	650160073	/nfs/dbraw/zinc/16/00/73/650160073.db2.gz	MHHYCFQCGVBOOE-KOLCDFICSA-N	-1	1	381.248	2.185	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccn(-c3ccccc3)n2)s1	ZINC000508015117	650472492	/nfs/dbraw/zinc/47/24/92/650472492.db2.gz	IYPZKPGSCIJSSL-UHFFFAOYSA-N	-1	1	378.435	2.363	20	5		GEBDMM
Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccncc1[O-]	ZINC000513604695	650565937	/nfs/dbraw/zinc/56/59/37/650565937.db2.gz	LBYLDRWJTXQIFP-UHFFFAOYSA-N	-1	1	399.144	2.283	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)c([N+](=O)[O-])n1	ZINC000479542431	650606168	/nfs/dbraw/zinc/60/61/68/650606168.db2.gz	OCINNQHNPRTRIV-UHFFFAOYSA-N	-1	1	384.845	2.475	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(F)(F)F	ZINC000482188033	650662087	/nfs/dbraw/zinc/66/20/87/650662087.db2.gz	QEKRSRWBVVKKGI-UHFFFAOYSA-N	-1	1	375.756	2.021	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1c(F)cccc1OC(F)F	ZINC000530380281	650724096	/nfs/dbraw/zinc/72/40/96/650724096.db2.gz	MKLPWHPPWMGFMJ-UHFFFAOYSA-N	-1	1	377.300	2.209	20	5		GEBDMM
O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)cc2N1	ZINC000014849765	642377847	/nfs/dbraw/zinc/37/78/47/642377847.db2.gz	JKQCSUZQHNYVHL-UHFFFAOYSA-N	-1	1	383.769	2.380	20	5		GEBDMM
CCC(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1	ZINC000064245268	642871266	/nfs/dbraw/zinc/87/12/66/642871266.db2.gz	MBMHJZKLFBRVMK-CYBMUJFWSA-N	-1	1	391.515	2.072	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)s1	ZINC000064245039	642871324	/nfs/dbraw/zinc/87/13/24/642871324.db2.gz	XLGZSGHVTMFQAS-UHFFFAOYSA-N	-1	1	378.435	2.363	20	5		GEBDMM
CCC(CC)C(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000066001167	642894486	/nfs/dbraw/zinc/89/44/86/642894486.db2.gz	FGTZKQMICXJLAO-UHFFFAOYSA-N	-1	1	389.499	2.362	20	5		GEBDMM
CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066001590	642894588	/nfs/dbraw/zinc/89/45/88/642894588.db2.gz	BKEOAFVBGAECKI-LBPRGKRZSA-N	-1	1	384.435	2.109	20	5		GEBDMM
C[C@H]1CN(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000101570074	643108861	/nfs/dbraw/zinc/10/88/61/643108861.db2.gz	XQRPYAGIRBGZKZ-RYUDHWBXSA-N	-1	1	391.877	2.026	20	5		GEBDMM
C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000101570076	643109073	/nfs/dbraw/zinc/10/90/73/643109073.db2.gz	XQRPYAGIRBGZKZ-VXGBXAGGSA-N	-1	1	391.877	2.026	20	5		GEBDMM
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1	ZINC000109423658	643296121	/nfs/dbraw/zinc/29/61/21/643296121.db2.gz	BTWJVLRMVCRDFB-UHFFFAOYSA-N	-1	1	382.467	2.209	20	5		GEBDMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119385719	643550399	/nfs/dbraw/zinc/55/03/99/643550399.db2.gz	FHLJWSVLOWOIAJ-GZMMTYOYSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1	ZINC000121720411	643638823	/nfs/dbraw/zinc/63/88/23/643638823.db2.gz	CTSHJUYRHZDUOE-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CN1C(=O)COc2cc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21	ZINC000541078817	650871068	/nfs/dbraw/zinc/87/10/68/650871068.db2.gz	OHAOWLZCDXGPSK-UHFFFAOYSA-N	-1	1	383.407	2.159	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2ccc(Cl)c(F)c2)s1	ZINC000135020996	643910494	/nfs/dbraw/zinc/91/04/94/643910494.db2.gz	HFDWCMFPAUUAIR-JTQLQIEISA-N	-1	1	380.806	2.461	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O	ZINC000158317095	644142735	/nfs/dbraw/zinc/14/27/35/644142735.db2.gz	WEQKQMXTXLGZMC-JOYOIKCWSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1	ZINC000159327359	644187716	/nfs/dbraw/zinc/18/77/16/644187716.db2.gz	KEDCTXIFWYMRQM-GFCCVEGCSA-N	-1	1	382.829	2.200	20	5		GEBDMM
Cc1ocnc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000162010678	644228836	/nfs/dbraw/zinc/22/88/36/644228836.db2.gz	MLKWHFVPLVQEAL-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2=O)cc1	ZINC000173392673	644357064	/nfs/dbraw/zinc/35/70/64/644357064.db2.gz	VHBDNMRRWJOKQM-GFCCVEGCSA-N	-1	1	381.435	2.049	20	5		GEBDMM
C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)co1	ZINC000179239870	644454131	/nfs/dbraw/zinc/45/41/31/644454131.db2.gz	SNELIFLVNHNLGS-UHFFFAOYSA-N	-1	1	387.801	2.022	20	5		GEBDMM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O	ZINC000180067418	644486877	/nfs/dbraw/zinc/48/68/77/644486877.db2.gz	OGCVUVRPJCKKRY-UHFFFAOYSA-N	-1	1	377.300	2.411	20	5		GEBDMM
O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)o2)c1	ZINC000545370076	650972127	/nfs/dbraw/zinc/97/21/27/650972127.db2.gz	PHNIAHIAENSTFL-UHFFFAOYSA-N	-1	1	375.200	2.471	20	5		GEBDMM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000265152251	645746260	/nfs/dbraw/zinc/74/62/60/645746260.db2.gz	LGLMQUBZSOKROP-CMPLNLGQSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000281090692	646745071	/nfs/dbraw/zinc/74/50/71/646745071.db2.gz	DBFHOCQXPGXVQH-QMMMGPOBSA-N	-1	1	376.797	2.469	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000330452676	647337569	/nfs/dbraw/zinc/33/75/69/647337569.db2.gz	VAYCHTQKJGHWAK-GHMZBOCLSA-N	-1	1	389.861	2.316	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])n1	ZINC000416511972	648155036	/nfs/dbraw/zinc/15/50/36/648155036.db2.gz	ZTOVIDSSJDCODW-GHMZBOCLSA-N	-1	1	386.455	2.071	20	5		GEBDMM
Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)o1	ZINC000416556835	648170488	/nfs/dbraw/zinc/17/04/88/648170488.db2.gz	ZAZXKIGZPSKGOZ-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F	ZINC000416611075	648186819	/nfs/dbraw/zinc/18/68/19/648186819.db2.gz	XJMXSAXJCRLNIA-MRVPVSSYSA-N	-1	1	384.332	2.233	20	5		GEBDMM
O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000548237521	651070944	/nfs/dbraw/zinc/07/09/44/651070944.db2.gz	LKMSZAQLWXZXLQ-HTRCEHHLSA-N	-1	1	381.193	2.209	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F	ZINC000548979852	651090414	/nfs/dbraw/zinc/09/04/14/651090414.db2.gz	USAAAAMMVFPWRB-UHFFFAOYSA-N	-1	1	384.332	2.233	20	5		GEBDMM
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	ZINC000549925855	651103235	/nfs/dbraw/zinc/10/32/35/651103235.db2.gz	AXTKERPUKRDKFT-GFCCVEGCSA-N	-1	1	383.813	2.143	20	5		GEBDMM
COC(=O)c1cnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Cl)c1	ZINC000572087402	651871827	/nfs/dbraw/zinc/87/18/27/651871827.db2.gz	HEFCASJQILYIPB-UHFFFAOYSA-N	-1	1	385.785	2.372	20	5		GEBDMM
COCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1	ZINC000572413018	651890936	/nfs/dbraw/zinc/89/09/36/651890936.db2.gz	JMPOZNVNGZKNGL-UHFFFAOYSA-N	-1	1	377.831	2.330	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCOC1CCC1	ZINC000742336206	651983090	/nfs/dbraw/zinc/98/30/90/651983090.db2.gz	HQZLFBHYJKYEBG-UHFFFAOYSA-N	-1	1	379.232	2.205	20	5		GEBDMM
C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000755165521	652459223	/nfs/dbraw/zinc/45/92/23/652459223.db2.gz	FIOCJSOZDNOYHR-VIFPVBQESA-N	-1	1	393.849	2.440	20	5		GEBDMM
C[C@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590175556	652576208	/nfs/dbraw/zinc/57/62/08/652576208.db2.gz	DCCOTQPIRTZLBI-ZANVPECISA-N	-1	1	393.259	2.187	20	5		GEBDMM
CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000592084634	652584436	/nfs/dbraw/zinc/58/44/36/652584436.db2.gz	WGCUUCSSHDZPHX-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cnn(CC(F)(F)F)c1	ZINC000763377367	652754061	/nfs/dbraw/zinc/75/40/61/652754061.db2.gz	ZSPXAOJWYPGJBG-UHFFFAOYSA-N	-1	1	398.750	2.486	20	5		GEBDMM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000765945922	652859226	/nfs/dbraw/zinc/85/92/26/652859226.db2.gz	RMQZTHNALYWNAM-USEMIUTHSA-N	-1	1	376.818	2.424	20	5		GEBDMM
CC(=O)N1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000809806009	653296512	/nfs/dbraw/zinc/29/65/12/653296512.db2.gz	AMEYNMNEWJUMHE-UHFFFAOYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809815113	653298648	/nfs/dbraw/zinc/29/86/48/653298648.db2.gz	QGHASEBJEXIVBR-UHFFFAOYSA-N	-1	1	398.268	2.485	20	5		GEBDMM
NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000809819201	653300720	/nfs/dbraw/zinc/30/07/20/653300720.db2.gz	WZTAGZPCVLBXPE-JGVFFNPUSA-N	-1	1	396.252	2.224	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)n1	ZINC000810111481	653326308	/nfs/dbraw/zinc/32/63/08/653326308.db2.gz	NBTDIQDNKYLKCZ-UHFFFAOYSA-N	-1	1	387.801	2.139	20	5		GEBDMM
Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000859174418	653416591	/nfs/dbraw/zinc/41/65/91/653416591.db2.gz	ADIFFRFKMOQVLG-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
Cc1cc(Cl)c(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-]	ZINC000812319361	653421502	/nfs/dbraw/zinc/42/15/02/653421502.db2.gz	FRFMEURVTWOIBP-UHFFFAOYSA-N	-1	1	381.801	2.013	20	5		GEBDMM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859291059	653435406	/nfs/dbraw/zinc/43/54/06/653435406.db2.gz	RBRWPGPMMJLBCT-ISVAXAHUSA-N	-1	1	391.243	2.203	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c1	ZINC000779912892	653616144	/nfs/dbraw/zinc/61/61/44/653616144.db2.gz	AGMYLHXYOLWBNN-ZETCQYMHSA-N	-1	1	376.740	2.148	20	5		GEBDMM
COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1	ZINC000814982101	653641718	/nfs/dbraw/zinc/64/17/18/653641718.db2.gz	WYGCMDBPLFQUQU-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000814985636	653642125	/nfs/dbraw/zinc/64/21/25/653642125.db2.gz	MZEJEHVCYPNEOV-CYBMUJFWSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000815018722	653644120	/nfs/dbraw/zinc/64/41/20/653644120.db2.gz	ZCVLWVJTFOOMCZ-UHFFFAOYSA-N	-1	1	396.824	2.251	20	5		GEBDMM
Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1	ZINC000815018927	653644141	/nfs/dbraw/zinc/64/41/41/653644141.db2.gz	BGJQJLTVUFIRDU-LLVKDONJSA-N	-1	1	378.765	2.301	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC[C@@H]1CCOC1	ZINC000815019795	653644484	/nfs/dbraw/zinc/64/44/84/653644484.db2.gz	NPOZYGFRMSFYMI-JTQLQIEISA-N	-1	1	396.824	2.109	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCOC2)C1	ZINC000815029743	653646109	/nfs/dbraw/zinc/64/61/09/653646109.db2.gz	XDEZYMPQDPJWTK-YMTOWFKASA-N	-1	1	394.808	2.004	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1=O	ZINC000815043638	653647718	/nfs/dbraw/zinc/64/77/18/653647718.db2.gz	VXKYZIMHYHAYKJ-SECBINFHSA-N	-1	1	393.824	2.067	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1	ZINC000783536304	653680290	/nfs/dbraw/zinc/68/02/90/653680290.db2.gz	KQDVBXSZTLRUKU-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1ccnc1	ZINC000840951409	653703278	/nfs/dbraw/zinc/70/32/78/653703278.db2.gz	WFYIMRFUTNOLIW-SECBINFHSA-N	-1	1	376.797	2.198	20	5		GEBDMM
COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1	ZINC000817154394	653705023	/nfs/dbraw/zinc/70/50/23/653705023.db2.gz	QOXAYCXINBBJRJ-SNVBAGLBSA-N	-1	1	378.834	2.111	20	5		GEBDMM
O=C(OCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1	ZINC000841537300	653729544	/nfs/dbraw/zinc/72/95/44/653729544.db2.gz	UNSBREWGYGOFBL-UHFFFAOYSA-N	-1	1	383.209	2.133	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCOC(F)(F)F)c1	ZINC000788915962	653766307	/nfs/dbraw/zinc/76/63/07/653766307.db2.gz	HOHZUJIOISKZFQ-UHFFFAOYSA-N	-1	1	393.137	2.172	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c1Cl	ZINC000846026447	653882378	/nfs/dbraw/zinc/88/23/78/653882378.db2.gz	DSHGFAVFZIDUGS-CYBMUJFWSA-N	-1	1	399.252	2.112	20	5		GEBDMM
CSc1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1	ZINC000848592587	653988413	/nfs/dbraw/zinc/98/84/13/653988413.db2.gz	KWVYIYUMFDTLLC-UHFFFAOYSA-N	-1	1	376.366	2.456	20	5		GEBDMM
COC(=O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000849468626	654043318	/nfs/dbraw/zinc/04/33/18/654043318.db2.gz	ZMOGEESGSNIYDU-SNVBAGLBSA-N	-1	1	376.818	2.116	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)NC1CCCCC1	ZINC000798226907	654055765	/nfs/dbraw/zinc/05/57/65/654055765.db2.gz	XZUALVQBUQKCJG-UHFFFAOYSA-N	-1	1	393.824	2.115	20	5		GEBDMM
CSC[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830659995	654133200	/nfs/dbraw/zinc/13/32/00/654133200.db2.gz	ZUAJTKLDENNZDD-SSDOTTSWSA-N	-1	1	389.282	2.294	20	5		GEBDMM
NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830787168	654142283	/nfs/dbraw/zinc/14/22/83/654142283.db2.gz	QZMOXFPWHHFKOE-CBAPKCEASA-N	-1	1	396.252	2.224	20	5		GEBDMM
CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830872818	654148290	/nfs/dbraw/zinc/14/82/90/654148290.db2.gz	SBJNWASKWVGBDA-SSDOTTSWSA-N	-1	1	385.225	2.379	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccnc1-2	ZINC000801703822	654204889	/nfs/dbraw/zinc/20/48/89/654204889.db2.gz	RRQCTUMZKTWTFT-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000832066747	654230544	/nfs/dbraw/zinc/23/05/44/654230544.db2.gz	MKJIHNXOPPCKBM-PRHODGIISA-N	-1	1	399.252	2.231	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)cc([N+](=O)[O-])c1F	ZINC000921860489	654333950	/nfs/dbraw/zinc/33/39/50/654333950.db2.gz	HIFMCKZXUIIWSQ-PRHODGIISA-N	-1	1	386.323	2.288	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000007908910	531543891	/nfs/dbraw/zinc/54/38/91/531543891.db2.gz	HOVSLAWQHPMMKY-UHFFFAOYSA-N	-1	1	375.328	2.403	20	5		GEBDMM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000028258651	531631210	/nfs/dbraw/zinc/63/12/10/531631210.db2.gz	ZNLXBCWSPAQMJB-UHFFFAOYSA-N	-1	1	385.785	2.157	20	5		GEBDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1Cl	ZINC000160858250	531819176	/nfs/dbraw/zinc/81/91/76/531819176.db2.gz	RCDBTHVFZGSHBN-UHFFFAOYSA-N	-1	1	380.773	2.025	20	5		GEBDMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120698851	531989242	/nfs/dbraw/zinc/98/92/42/531989242.db2.gz	HPJREYCIYRWANA-RKDXNWHRSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CO[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000191046398	532359281	/nfs/dbraw/zinc/35/92/81/532359281.db2.gz	PWVMOLVDOFPZRK-VHSXEESVSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@](O)(C(F)(F)F)C1	ZINC000589923245	532365169	/nfs/dbraw/zinc/36/51/69/532365169.db2.gz	UTYZFXNDQCEWGY-GZMMTYOYSA-N	-1	1	388.751	2.372	20	5		GEBDMM
Cc1[n-][nH]c(=O)c1NC(=O)c1cc(I)cc([N+](=O)[O-])c1	ZINC000590398311	532370496	/nfs/dbraw/zinc/37/04/96/532370496.db2.gz	LXTAVCANDDHOPA-UHFFFAOYSA-N	-1	1	388.121	2.189	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)c1c(Cl)cccc1Cl	ZINC000516910317	532395608	/nfs/dbraw/zinc/39/56/08/532395608.db2.gz	VXECAFWCWNAHFH-SNVBAGLBSA-N	-1	1	392.220	2.309	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)s1	ZINC000428414139	532451863	/nfs/dbraw/zinc/45/18/63/532451863.db2.gz	SJPDLHTVBPOFHO-IUODEOHRSA-N	-1	1	386.426	2.240	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)s1	ZINC000428414138	532451702	/nfs/dbraw/zinc/45/17/02/532451702.db2.gz	SJPDLHTVBPOFHO-DOMZBBRYSA-N	-1	1	386.426	2.240	20	5		GEBDMM
CSC[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295529683	532456561	/nfs/dbraw/zinc/45/65/61/532456561.db2.gz	IWUBMCRVUYODSO-NSHDSACASA-N	-1	1	389.282	2.294	20	5		GEBDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000219870732	532483662	/nfs/dbraw/zinc/48/36/62/532483662.db2.gz	DLLKYCYFYMDFBL-WPRPVWTQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1	ZINC000521120750	532506047	/nfs/dbraw/zinc/50/60/47/532506047.db2.gz	IXAUEKYDLHJWDV-UHFFFAOYSA-N	-1	1	379.423	2.035	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1	ZINC000521558035	532514437	/nfs/dbraw/zinc/51/44/37/532514437.db2.gz	ZNORHCYRHOCQMU-UHFFFAOYSA-N	-1	1	375.328	2.403	20	5		GEBDMM
C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296417499	532520246	/nfs/dbraw/zinc/52/02/46/532520246.db2.gz	URIPTKGLLXGIFS-DTWKUNHWSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CN(C)C[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000594782284	532527999	/nfs/dbraw/zinc/52/79/99/532527999.db2.gz	VGEULZZZUHGAFU-ZDUSSCGKSA-N	-1	1	384.845	2.224	20	5		GEBDMM
CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000595382961	532562830	/nfs/dbraw/zinc/56/28/30/532562830.db2.gz	MFCTUMSLIRRJSV-UHFFFAOYSA-N	-1	1	380.369	2.326	20	5		GEBDMM
CCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)(C(=O)OC)CC1	ZINC000433762363	532578346	/nfs/dbraw/zinc/57/83/46/532578346.db2.gz	NVARXQWXCBMPAS-UHFFFAOYSA-N	-1	1	376.456	2.447	20	5		GEBDMM
O=C([O-])C[C@H](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)(F)F	ZINC000285136209	532650007	/nfs/dbraw/zinc/65/00/07/532650007.db2.gz	NXSUISDBEHWBKD-ZETCQYMHSA-N	-1	1	388.295	2.056	20	5		GEBDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCO1	ZINC000286483926	532751251	/nfs/dbraw/zinc/75/12/51/532751251.db2.gz	QDZGMLRGGZDQCX-YUMQZZPRSA-N	-1	1	397.222	2.342	20	5		GEBDMM
CCC(CC)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O	ZINC000289373804	532853520	/nfs/dbraw/zinc/85/35/20/532853520.db2.gz	MUZFBJYJMBUYOZ-UHFFFAOYSA-N	-1	1	384.241	2.224	20	5		GEBDMM
COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000416575530	532878669	/nfs/dbraw/zinc/87/86/69/532878669.db2.gz	BHBQIUDIKVQZJJ-SECBINFHSA-N	-1	1	381.248	2.308	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(Cc3cscn3)CC2)s1	ZINC000363667053	532900105	/nfs/dbraw/zinc/90/01/05/532900105.db2.gz	ZXIWKVMCKFJVLI-UHFFFAOYSA-N	-1	1	388.496	2.056	20	5		GEBDMM
Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-]	ZINC000367116608	532922755	/nfs/dbraw/zinc/92/27/55/532922755.db2.gz	FMYOVKXMKMSJEZ-SECBINFHSA-N	-1	1	395.217	2.199	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl	ZINC000738367292	598694348	/nfs/dbraw/zinc/69/43/48/598694348.db2.gz	PRIGONVIWMWJFZ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1[N+](=O)[O-]	ZINC000737099349	598719551	/nfs/dbraw/zinc/71/95/51/598719551.db2.gz	LBOGKEIZSGNSEX-UHFFFAOYSA-N	-1	1	378.348	2.147	20	5		GEBDMM
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823548136	599309626	/nfs/dbraw/zinc/30/96/26/599309626.db2.gz	UTCAYPJFIGPSJO-UXBLZVDNSA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=NC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823548136	599309627	/nfs/dbraw/zinc/30/96/27/599309627.db2.gz	UTCAYPJFIGPSJO-UXBLZVDNSA-N	-1	1	386.711	2.366	20	5		GEBDMM
CCc1[nH]nc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[N+](=O)[O-]	ZINC000737245913	599800792	/nfs/dbraw/zinc/80/07/92/599800792.db2.gz	OANZCCBJNMSWCX-UHFFFAOYSA-N	-1	1	383.364	2.258	20	5		GEBDMM
O=C([O-])[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000739513304	599814851	/nfs/dbraw/zinc/81/48/51/599814851.db2.gz	SAFVVAPNEAKHKP-GFCCVEGCSA-N	-1	1	390.295	2.116	20	5		GEBDMM
O=C(CCC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000826405404	607450610	/nfs/dbraw/zinc/45/06/10/607450610.db2.gz	DSADFLGGOQABFN-UHFFFAOYSA-N	-1	1	399.455	2.394	20	5		GEBDMM
O=C(CCC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000826405404	607450611	/nfs/dbraw/zinc/45/06/11/607450611.db2.gz	DSADFLGGOQABFN-UHFFFAOYSA-N	-1	1	399.455	2.394	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCc2ccc(Cn3cncn3)cc2)cc1-c1nnn[n-]1	ZINC000826499189	607451245	/nfs/dbraw/zinc/45/12/45/607451245.db2.gz	ZEGKHVRQSDJUNY-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCc2ccc(Cn3cncn3)cc2)cc1-c1nn[n-]n1	ZINC000826499189	607451247	/nfs/dbraw/zinc/45/12/47/607451247.db2.gz	ZEGKHVRQSDJUNY-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
CCc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)ncn1	ZINC000825700320	607453902	/nfs/dbraw/zinc/45/39/02/607453902.db2.gz	APYUKGRVQDGWPV-UHFFFAOYSA-N	-1	1	395.427	2.208	20	5		GEBDMM
CCc1cc(N2CCC(Nc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)ncn1	ZINC000825700320	607453904	/nfs/dbraw/zinc/45/39/04/607453904.db2.gz	APYUKGRVQDGWPV-UHFFFAOYSA-N	-1	1	395.427	2.208	20	5		GEBDMM
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])cc1OC	ZINC000522361902	600611926	/nfs/dbraw/zinc/61/19/26/600611926.db2.gz	PIFVRDNXGGCZAR-UHFFFAOYSA-N	-1	1	396.377	2.419	20	5		GEBDMM
CCOc1cc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c([N+](=O)[O-])cc1OC	ZINC000737193568	600633070	/nfs/dbraw/zinc/63/30/70/600633070.db2.gz	RSCNRPHXZYYXIQ-UHFFFAOYSA-N	-1	1	396.381	2.123	20	5		GEBDMM
CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485209429	600690898	/nfs/dbraw/zinc/69/08/98/600690898.db2.gz	OEAALOQOTOCOMB-UHFFFAOYSA-N	-1	1	394.361	2.271	20	5		GEBDMM
Cc1cccc(C)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826297141	607571452	/nfs/dbraw/zinc/57/14/52/607571452.db2.gz	WXBAKAXKAVILLK-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
O=C([O-])NC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1	ZINC000740610489	602542101	/nfs/dbraw/zinc/54/21/01/602542101.db2.gz	GGTQNDKSBXIKDW-AWEZNQCLSA-N	-1	1	375.385	2.417	20	5		GEBDMM
CCCC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000825254491	607595594	/nfs/dbraw/zinc/59/55/94/607595594.db2.gz	SHFWUWHRAYLKDM-UHFFFAOYSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCCC1	ZINC000825146670	607603184	/nfs/dbraw/zinc/60/31/84/607603184.db2.gz	FDXMNGCAAVWYRJ-LBPRGKRZSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CC(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824214803	607606162	/nfs/dbraw/zinc/60/61/62/607606162.db2.gz	IFOPAOZGPKMGRK-NEPJUHHUSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC(C)(NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1cccs1	ZINC000824167188	607617739	/nfs/dbraw/zinc/61/77/39/607617739.db2.gz	OEJHHDYURMITPZ-UHFFFAOYSA-N	-1	1	394.438	2.050	20	5		GEBDMM
CCN(CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1)C(=O)[O-]	ZINC000827089253	603754554	/nfs/dbraw/zinc/75/45/54/603754554.db2.gz	GRTHACCQCHUITK-UHFFFAOYSA-N	-1	1	375.385	2.323	20	5		GEBDMM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC	ZINC000832236038	604366569	/nfs/dbraw/zinc/36/65/69/604366569.db2.gz	VCSAXZVMUWCMEH-AWEZNQCLSA-N	-1	1	390.348	2.263	20	5		GEBDMM
CCc1[nH]nc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1[N+](=O)[O-]	ZINC000830201669	604781351	/nfs/dbraw/zinc/78/13/51/604781351.db2.gz	BIHKTKOPEOOFAZ-UHFFFAOYSA-N	-1	1	387.396	2.295	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cccc([N+](=O)[O-])c1C	ZINC000826295079	607716646	/nfs/dbraw/zinc/71/66/46/607716646.db2.gz	QCCSDCYQVQUCJB-UHFFFAOYSA-N	-1	1	377.364	2.150	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024587	605515268	/nfs/dbraw/zinc/51/52/68/605515268.db2.gz	FCJLDABXQLQTOG-WBVHZDCISA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031425	605520369	/nfs/dbraw/zinc/52/03/69/605520369.db2.gz	ZDSJRIOXELCLJR-RDJZCZTQSA-N	-1	1	390.440	2.065	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nnn[n-]1	ZINC000822530536	606236668	/nfs/dbraw/zinc/23/66/68/606236668.db2.gz	GCCKQMWBHTZHHB-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1-c1nn[n-]n1	ZINC000822530536	606236670	/nfs/dbraw/zinc/23/66/70/606236670.db2.gz	GCCKQMWBHTZHHB-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000823289690	606532567	/nfs/dbraw/zinc/53/25/67/606532567.db2.gz	MLBBVUZKAHDUGQ-UHFFFAOYSA-N	-1	1	391.351	2.494	20	5		GEBDMM
O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000823289690	606532569	/nfs/dbraw/zinc/53/25/69/606532569.db2.gz	MLBBVUZKAHDUGQ-UHFFFAOYSA-N	-1	1	391.351	2.494	20	5		GEBDMM
O=[N+]([O-])c1cc(N[C@@H](CO)Cc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1	ZINC000823634894	606646103	/nfs/dbraw/zinc/64/61/03/606646103.db2.gz	NSKSNZCZBBSJAS-CYBMUJFWSA-N	-1	1	379.380	2.272	20	5		GEBDMM
CC[C@H](C)NC(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820875766	606699374	/nfs/dbraw/zinc/69/93/74/606699374.db2.gz	FGIKDUJMVIPHGP-NSHDSACASA-N	-1	1	396.411	2.310	20	5		GEBDMM
CC[C@H](C)NC(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820875766	606699376	/nfs/dbraw/zinc/69/93/76/606699376.db2.gz	FGIKDUJMVIPHGP-NSHDSACASA-N	-1	1	396.411	2.310	20	5		GEBDMM
CC(C)c1nc([C@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)no1	ZINC000820202410	606704706	/nfs/dbraw/zinc/70/47/06/606704706.db2.gz	HTHZWYFYWLLZGP-JTQLQIEISA-N	-1	1	385.388	2.060	20	5		GEBDMM
CC(C)c1nc([C@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)no1	ZINC000820202410	606704707	/nfs/dbraw/zinc/70/47/07/606704707.db2.gz	HTHZWYFYWLLZGP-JTQLQIEISA-N	-1	1	385.388	2.060	20	5		GEBDMM
COc1ccc(COCCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821825337	606706884	/nfs/dbraw/zinc/70/68/84/606706884.db2.gz	XIBDDAJBBXDBBT-UHFFFAOYSA-N	-1	1	385.384	2.197	20	5		GEBDMM
COc1ccc(COCCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821825337	606706887	/nfs/dbraw/zinc/70/68/87/606706887.db2.gz	XIBDDAJBBXDBBT-UHFFFAOYSA-N	-1	1	385.384	2.197	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1-c1nn[n-]n1	ZINC000823648297	607155063	/nfs/dbraw/zinc/15/50/63/607155063.db2.gz	UCEQRBJFXQUAAT-UHFFFAOYSA-N	-1	1	380.773	2.229	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c1-c1nn[n-]n1	ZINC000823646937	607156193	/nfs/dbraw/zinc/15/61/93/607156193.db2.gz	DMDZVCQKSKRRBW-UHFFFAOYSA-N	-1	1	398.404	2.015	20	5		GEBDMM
COCc1nc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)cs1	ZINC000826165067	607878348	/nfs/dbraw/zinc/87/83/48/607878348.db2.gz	DMYXRHDJDJBZHS-UHFFFAOYSA-N	-1	1	395.788	2.284	20	5		GEBDMM
C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1	ZINC000824437036	608017004	/nfs/dbraw/zinc/01/70/04/608017004.db2.gz	XPNDDQPVSGAPFD-JTQLQIEISA-N	-1	1	393.367	2.436	20	5		GEBDMM
C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1	ZINC000824437036	608017005	/nfs/dbraw/zinc/01/70/05/608017005.db2.gz	XPNDDQPVSGAPFD-JTQLQIEISA-N	-1	1	393.367	2.436	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000826467486	609395932	/nfs/dbraw/zinc/39/59/32/609395932.db2.gz	YFOBREFQHHVWFP-UHFFFAOYSA-N	-1	1	392.278	2.128	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000826467486	609395935	/nfs/dbraw/zinc/39/59/35/609395935.db2.gz	YFOBREFQHHVWFP-UHFFFAOYSA-N	-1	1	392.278	2.128	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOc1ncccc1F	ZINC000446926356	649990724	/nfs/dbraw/zinc/99/07/24/649990724.db2.gz	WWVYTTKOYYQFES-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCSC1	ZINC000447937397	650011439	/nfs/dbraw/zinc/01/14/39/650011439.db2.gz	WQVKZCSDDSZHRN-MRVPVSSYSA-N	-1	1	381.273	2.389	20	5		GEBDMM
O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000507291346	650458499	/nfs/dbraw/zinc/45/84/99/650458499.db2.gz	HVVQSKIHZLBLFF-NSHDSACASA-N	-1	1	398.144	2.461	20	5		GEBDMM
C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000510505655	650512741	/nfs/dbraw/zinc/51/27/41/650512741.db2.gz	IFTDLRIPKVGDDC-IONNQARKSA-N	-1	1	381.273	2.387	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1nccs1	ZINC000040446975	642524081	/nfs/dbraw/zinc/52/40/81/642524081.db2.gz	SNHAIUDUSMBZPH-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(F)c1	ZINC000101575954	643109673	/nfs/dbraw/zinc/10/96/73/643109673.db2.gz	MPUYMCNOBJCEOX-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
CC(C)NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000116356112	643459760	/nfs/dbraw/zinc/45/97/60/643459760.db2.gz	AVVBTWZQYXTZMG-MNOVXSKESA-N	-1	1	375.472	2.018	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)c([N+](=O)[O-])n1	ZINC000497933289	650841890	/nfs/dbraw/zinc/84/18/90/650841890.db2.gz	GPTGIMPBBIRUKD-UHFFFAOYSA-N	-1	1	387.487	2.086	20	5		GEBDMM
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1	ZINC000539721755	650848694	/nfs/dbraw/zinc/84/86/94/650848694.db2.gz	SHGGXGJBYSZNPT-UHFFFAOYSA-N	-1	1	392.173	2.128	20	5		GEBDMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1[N+](=O)[O-]	ZINC000546534590	651001236	/nfs/dbraw/zinc/00/12/36/651001236.db2.gz	YFPLCVBEOJGNIP-DEOSSOPVSA-N	-1	1	384.435	2.283	20	5		GEBDMM
CN(C)C(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000265152254	645746571	/nfs/dbraw/zinc/74/65/71/645746571.db2.gz	LGLMQUBZSOKROP-JQWIXIFHSA-N	-1	1	389.861	2.174	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000271310802	646190174	/nfs/dbraw/zinc/19/01/74/646190174.db2.gz	YPWKABQSRHGHKQ-NXEZZACHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cc1noc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1	ZINC000279351958	646594164	/nfs/dbraw/zinc/59/41/64/646594164.db2.gz	JLHMQKLNRIHSGS-UHFFFAOYSA-N	-1	1	381.197	2.114	20	5		GEBDMM
CN(C)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295577584	647235692	/nfs/dbraw/zinc/23/56/92/647235692.db2.gz	ZFXIFLOBYXODBF-UHFFFAOYSA-N	-1	1	384.241	2.048	20	5		GEBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOc2ccc(Br)cc2C1	ZINC000367348815	647731261	/nfs/dbraw/zinc/73/12/61/647731261.db2.gz	KUEBHLWMDVQJLK-UHFFFAOYSA-N	-1	1	394.181	2.493	20	5		GEBDMM
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443162206	648865537	/nfs/dbraw/zinc/86/55/37/648865537.db2.gz	YUIBKKWWQIDYKY-JTQLQIEISA-N	-1	1	381.248	2.043	20	5		GEBDMM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443244341	648868862	/nfs/dbraw/zinc/86/88/62/648868862.db2.gz	FDGYDBPXPPNYIN-SNVBAGLBSA-N	-1	1	381.248	2.187	20	5		GEBDMM
Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000548217822	651068738	/nfs/dbraw/zinc/06/87/38/651068738.db2.gz	REIXCALGRSLHCH-UHFFFAOYSA-N	-1	1	385.785	2.128	20	5		GEBDMM
O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000548237522	651070974	/nfs/dbraw/zinc/07/09/74/651070974.db2.gz	LKMSZAQLWXZXLQ-POYBYMJQSA-N	-1	1	381.193	2.209	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)o1	ZINC000548383248	651078154	/nfs/dbraw/zinc/07/81/54/651078154.db2.gz	ONGQJDKTSPIPMA-UHFFFAOYSA-N	-1	1	375.200	2.471	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCc1ccccc1	ZINC000725818544	651479827	/nfs/dbraw/zinc/47/98/27/651479827.db2.gz	OCTLUGRCBORLMV-UHFFFAOYSA-N	-1	1	384.797	2.270	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000728586725	651547812	/nfs/dbraw/zinc/54/78/12/651547812.db2.gz	ANCDEBRNTDESHT-UHFFFAOYSA-N	-1	1	393.849	2.393	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)ccc1[N+](=O)[O-]	ZINC000609657921	651628531	/nfs/dbraw/zinc/62/85/31/651628531.db2.gz	SZSWEOSQEAOPQX-UHFFFAOYSA-N	-1	1	388.398	2.247	20	5		GEBDMM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000610590545	651673162	/nfs/dbraw/zinc/67/31/62/651673162.db2.gz	UNRQGSKCFZZIJF-UHFFFAOYSA-N	-1	1	388.785	2.496	20	5		GEBDMM
CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1C	ZINC000612794043	651770658	/nfs/dbraw/zinc/77/06/58/651770658.db2.gz	WEFYZWWWOVVLIZ-UHFFFAOYSA-N	-1	1	385.423	2.015	20	5		GEBDMM
COC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000574723453	652038634	/nfs/dbraw/zinc/03/86/34/652038634.db2.gz	KIABOUXQKXPIGD-GFCCVEGCSA-N	-1	1	385.829	2.352	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCCC12OCCO2	ZINC000746471142	652109187	/nfs/dbraw/zinc/10/91/87/652109187.db2.gz	FHZDSEWUNOMOTF-CYBMUJFWSA-N	-1	1	376.818	2.212	20	5		GEBDMM
COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	ZINC000751289060	652339187	/nfs/dbraw/zinc/33/91/87/652339187.db2.gz	WGVMJNAWAZEEIO-AWEZNQCLSA-N	-1	1	386.813	2.269	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2c(F)cccc2Cl)s1	ZINC000751440559	652350834	/nfs/dbraw/zinc/35/08/34/652350834.db2.gz	HKUOIIOEEGACPX-SECBINFHSA-N	-1	1	380.806	2.461	20	5		GEBDMM
CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751467360	652353842	/nfs/dbraw/zinc/35/38/42/652353842.db2.gz	MSGHWQVIHVLASG-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC1CCCCC1	ZINC000751977651	652374322	/nfs/dbraw/zinc/37/43/22/652374322.db2.gz	QBKHGEBJIVXCOI-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745898	652521890	/nfs/dbraw/zinc/52/18/90/652521890.db2.gz	UDJJLUOFCJIBLI-WRWORJQWSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000585708115	652534460	/nfs/dbraw/zinc/53/44/60/652534460.db2.gz	YMZDUYVFJWPAFJ-QWRGUYRKSA-N	-1	1	390.767	2.474	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@]12CCCO2	ZINC000759104578	652562970	/nfs/dbraw/zinc/56/29/70/652562970.db2.gz	NKQJKSDQDTYVRK-RBSFLKMASA-N	-1	1	390.845	2.253	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	ZINC000768795176	653126909	/nfs/dbraw/zinc/12/69/09/653126909.db2.gz	BXQDLVBMAMZIHB-VIFPVBQESA-N	-1	1	390.464	2.099	20	5		GEBDMM
Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1	ZINC000809821836	653301956	/nfs/dbraw/zinc/30/19/56/653301956.db2.gz	SMWWXKCEJFZVDC-NSHDSACASA-N	-1	1	378.765	2.301	20	5		GEBDMM
C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[S@](C)=O	ZINC000809827256	653303845	/nfs/dbraw/zinc/30/38/45/653303845.db2.gz	IBDHXNCZNGWNAH-SGWXMTNESA-N	-1	1	389.282	2.337	20	5		GEBDMM
CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827133	653303982	/nfs/dbraw/zinc/30/39/82/653303982.db2.gz	CWAGFCFRUQVZNV-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC23OCCO3)cc1Cl	ZINC000809827473	653304002	/nfs/dbraw/zinc/30/40/02/653304002.db2.gz	OVTOPQKINRHZCA-ZDUSSCGKSA-N	-1	1	394.808	2.351	20	5		GEBDMM
CN(C)c1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1	ZINC000809828692	653304633	/nfs/dbraw/zinc/30/46/33/653304633.db2.gz	PARCYYAJKLQPBA-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809829613	653304813	/nfs/dbraw/zinc/30/48/13/653304813.db2.gz	FFPBCJLSMORXCC-XVKPBYJWSA-N	-1	1	396.252	2.095	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)c2ccsc2)cc1Cl	ZINC000809832052	653306099	/nfs/dbraw/zinc/30/60/99/653306099.db2.gz	KTJRAHOVLHYUDM-JTQLQIEISA-N	-1	1	380.806	2.461	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2ccc(CO)cc2)cc1Cl	ZINC000809832129	653306279	/nfs/dbraw/zinc/30/62/79/653306279.db2.gz	HGENAINXSHMDKT-UHFFFAOYSA-N	-1	1	388.804	2.401	20	5		GEBDMM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000809842839	653308914	/nfs/dbraw/zinc/30/89/14/653308914.db2.gz	HPTSWMREYJTUMN-BDAKNGLRSA-N	-1	1	394.808	2.397	20	5		GEBDMM
CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000810105762	653325195	/nfs/dbraw/zinc/32/51/95/653325195.db2.gz	GCHYRIFUPFSJFW-ZDUSSCGKSA-N	-1	1	380.825	2.463	20	5		GEBDMM
C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000778049915	653422522	/nfs/dbraw/zinc/42/25/22/653422522.db2.gz	UCGMNMUXUWRPAI-SECBINFHSA-N	-1	1	379.460	2.238	20	5		GEBDMM
NC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000780071790	653620066	/nfs/dbraw/zinc/62/00/66/653620066.db2.gz	LCMZIVZIMRENFM-CYBMUJFWSA-N	-1	1	395.165	2.446	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CCCCC1=O	ZINC000815043641	653647780	/nfs/dbraw/zinc/64/77/80/653647780.db2.gz	VXKYZIMHYHAYKJ-VIFPVBQESA-N	-1	1	393.824	2.067	20	5		GEBDMM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815047200	653648026	/nfs/dbraw/zinc/64/80/26/653648026.db2.gz	BYVYCADLQOMQFL-SECBINFHSA-N	-1	1	395.840	2.218	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815079413	653650286	/nfs/dbraw/zinc/65/02/86/653650286.db2.gz	PYULKCNQVFLIEW-LLVKDONJSA-N	-1	1	397.222	2.200	20	5		GEBDMM
CSc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1	ZINC000782516007	653663321	/nfs/dbraw/zinc/66/33/21/653663321.db2.gz	OUYOWBAEMHDHSB-UHFFFAOYSA-N	-1	1	378.432	2.094	20	5		GEBDMM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc(Br)ccc1[O-]	ZINC000783909795	653686681	/nfs/dbraw/zinc/68/66/81/653686681.db2.gz	JLZWWFVDVSDUFD-UHFFFAOYSA-N	-1	1	392.169	2.446	20	5		GEBDMM
COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000817154603	653705204	/nfs/dbraw/zinc/70/52/04/653705204.db2.gz	UQBHLBUNRNCYKT-SECBINFHSA-N	-1	1	396.824	2.250	20	5		GEBDMM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])O1	ZINC000841534091	653729099	/nfs/dbraw/zinc/72/90/99/653729099.db2.gz	JAXLHZJDFAIBGW-JGVFFNPUSA-N	-1	1	397.222	2.342	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccn(C)n1	ZINC000841551392	653731744	/nfs/dbraw/zinc/73/17/44/653731744.db2.gz	HUVOQSCJPXQADL-MRVPVSSYSA-N	-1	1	389.231	2.130	20	5		GEBDMM
Cc1n[nH]cc1S(=O)(=O)[N-][C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F	ZINC000841560393	653733928	/nfs/dbraw/zinc/73/39/28/653733928.db2.gz	JEXDQQDNPFTDTA-LLVKDONJSA-N	-1	1	382.295	2.347	20	5		GEBDMM
CCN1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000845994764	653878508	/nfs/dbraw/zinc/87/85/08/653878508.db2.gz	VACYVPUGTOKBFQ-MRVPVSSYSA-N	-1	1	396.252	2.048	20	5		GEBDMM
C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795927004	653977853	/nfs/dbraw/zinc/97/78/53/653977853.db2.gz	ADAXHLWAANFJAL-YAJNLLPGSA-N	-1	1	397.222	2.102	20	5		GEBDMM
Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000849461005	654040898	/nfs/dbraw/zinc/04/08/98/654040898.db2.gz	SFCNAVTYTZITKA-UHFFFAOYSA-N	-1	1	388.808	2.477	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)cc1Cl	ZINC000798225395	654055045	/nfs/dbraw/zinc/05/50/45/654055045.db2.gz	UVSAOQLTYJGQKO-SNVBAGLBSA-N	-1	1	396.824	2.251	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c1Cl	ZINC000830530068	654124326	/nfs/dbraw/zinc/12/43/26/654124326.db2.gz	VHMUWUVZFNIAMK-VIFPVBQESA-N	-1	1	399.252	2.376	20	5		GEBDMM
CSC[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830659996	654133159	/nfs/dbraw/zinc/13/31/59/654133159.db2.gz	ZUAJTKLDENNZDD-ZETCQYMHSA-N	-1	1	389.282	2.294	20	5		GEBDMM
O=C(CSc1nnc(NC2CC2)s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1	ZINC000918027158	654140861	/nfs/dbraw/zinc/14/08/61/654140861.db2.gz	AGAIJGIUVJNNFZ-UHFFFAOYSA-N	-1	1	379.423	2.069	20	5		GEBDMM
CCn1nccc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000851895544	654202474	/nfs/dbraw/zinc/20/24/74/654202474.db2.gz	FHPFKUHITHOAAG-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)co1	ZINC000832477745	654269083	/nfs/dbraw/zinc/26/90/83/654269083.db2.gz	BTCWSKHUOXLJEI-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]([C@H]2CCOC2)C(F)(F)F)ccc1Cl	ZINC000903652545	654273176	/nfs/dbraw/zinc/27/31/76/654273176.db2.gz	KKEVRMCVCBWDOE-WRWORJQWSA-N	-1	1	388.751	2.494	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)(F)F	ZINC000921601428	654290463	/nfs/dbraw/zinc/29/04/63/654290463.db2.gz	SUCPFHDEAIHOCM-SECBINFHSA-N	-1	1	385.339	2.039	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)cc([N+](=O)[O-])c1F	ZINC000921860491	654334060	/nfs/dbraw/zinc/33/40/60/654334060.db2.gz	HIFMCKZXUIIWSQ-UFBFGSQYSA-N	-1	1	386.323	2.288	20	5		GEBDMM
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c[nH]c1=O	ZINC000158325169	531774981	/nfs/dbraw/zinc/77/49/81/531774981.db2.gz	FTNSMPHDCATBPO-UHFFFAOYSA-N	-1	1	377.300	2.411	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000058496388	531832546	/nfs/dbraw/zinc/83/25/46/531832546.db2.gz	YQERTPNVEAHTMU-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CCOCC1	ZINC000171424777	531906617	/nfs/dbraw/zinc/90/66/17/531906617.db2.gz	LZUHQZQNFADZEU-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)CC1	ZINC000119494523	531971962	/nfs/dbraw/zinc/97/19/62/531971962.db2.gz	RRTRTJRMVNSGGM-HOMQSWHASA-N	-1	1	393.259	2.187	20	5		GEBDMM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000120708023	531989327	/nfs/dbraw/zinc/98/93/27/531989327.db2.gz	CCIZQJOKIUFBBJ-UHFFFAOYSA-N	-1	1	391.877	2.467	20	5		GEBDMM
CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000175647448	532110278	/nfs/dbraw/zinc/11/02/78/532110278.db2.gz	PIUPVPGIUPFGDJ-YCINEILWSA-N	-1	1	378.447	2.092	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1	ZINC000146447916	532298123	/nfs/dbraw/zinc/29/81/23/532298123.db2.gz	LQWLWEXQGWOCBQ-JTQLQIEISA-N	-1	1	384.797	2.367	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO	ZINC000188918910	532350270	/nfs/dbraw/zinc/35/02/70/532350270.db2.gz	PLAQBAKKSNCTRZ-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO	ZINC000188918973	532350295	/nfs/dbraw/zinc/35/02/95/532350295.db2.gz	PLAQBAKKSNCTRZ-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)o1	ZINC000189440685	532352254	/nfs/dbraw/zinc/35/22/54/532352254.db2.gz	UCALVYSZTVZWDN-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295254775	532425363	/nfs/dbraw/zinc/42/53/63/532425363.db2.gz	ZMWKBSTTYVMEHZ-HZGVNTEJSA-N	-1	1	389.282	2.292	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1	ZINC000295256098	532426052	/nfs/dbraw/zinc/42/60/52/532426052.db2.gz	QYIIVNCXNDDRQQ-JTQLQIEISA-N	-1	1	383.209	2.132	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1(CO)CCC1	ZINC000593664451	532494685	/nfs/dbraw/zinc/49/46/85/532494685.db2.gz	NQCNJKZWZUDUTH-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H](c2nc[nH]n2)c2ccccc2)s1	ZINC000375179177	532539788	/nfs/dbraw/zinc/53/97/88/532539788.db2.gz	WNOKFRTVKBITGT-GFCCVEGCSA-N	-1	1	379.423	2.379	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@@H]1O	ZINC000377287015	532648363	/nfs/dbraw/zinc/64/83/63/532648363.db2.gz	CLNMBUNKRBTWNU-ABAIWWIYSA-N	-1	1	384.797	2.021	20	5		GEBDMM
CN(C)C(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000265226078	532689154	/nfs/dbraw/zinc/68/91/54/532689154.db2.gz	ULZIQAOGNYFMKL-MNOVXSKESA-N	-1	1	389.861	2.174	20	5		GEBDMM
CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C	ZINC000440399010	532711899	/nfs/dbraw/zinc/71/18/99/532711899.db2.gz	PDKWZGYVMYSRMK-VXGBXAGGSA-N	-1	1	393.259	2.449	20	5		GEBDMM
CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C	ZINC000440399009	532712070	/nfs/dbraw/zinc/71/20/70/532712070.db2.gz	PDKWZGYVMYSRMK-RYUDHWBXSA-N	-1	1	393.259	2.449	20	5		GEBDMM
Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1	ZINC000267516784	532744015	/nfs/dbraw/zinc/74/40/15/532744015.db2.gz	KPGMSSYRVFXNGQ-VIFPVBQESA-N	-1	1	385.423	2.170	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1	ZINC000501154854	532737596	/nfs/dbraw/zinc/73/75/96/532737596.db2.gz	JJWSLHCWQRJINA-GFCCVEGCSA-N	-1	1	388.804	2.269	20	5		GEBDMM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1	ZINC000588906264	532772155	/nfs/dbraw/zinc/77/21/55/532772155.db2.gz	UJZVHCSULZQYOV-UHFFFAOYSA-N	-1	1	378.353	2.238	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c(Cl)cc1Cl	ZINC000290722776	532887659	/nfs/dbraw/zinc/88/76/59/532887659.db2.gz	KOUYRWBMRIQLCS-VIFPVBQESA-N	-1	1	399.252	2.376	20	5		GEBDMM
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O	ZINC000290757727	532889050	/nfs/dbraw/zinc/88/90/50/532889050.db2.gz	NFMGYNATSVBUNT-JTQLQIEISA-N	-1	1	384.241	2.080	20	5		GEBDMM
Cc1nnsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000292124421	532913596	/nfs/dbraw/zinc/91/35/96/532913596.db2.gz	XCXVTONOAYUNQJ-UHFFFAOYSA-N	-1	1	382.345	2.252	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CN(c3ccc(F)cc3)C2=O)s1	ZINC000368234009	532930885	/nfs/dbraw/zinc/93/08/85/532930885.db2.gz	ILCXJGLLFRDWBQ-SNVBAGLBSA-N	-1	1	385.398	2.026	20	5		GEBDMM
COC(C)(C)CNc1cc(NCC(C)(C)OC)c([N+](=O)[O-])c(-c2nnn[n-]2)c1	ZINC000821673669	599067872	/nfs/dbraw/zinc/06/78/72/599067872.db2.gz	IOPVDNYOVGYKHR-UHFFFAOYSA-N	-1	1	393.448	2.449	20	5		GEBDMM
COC(C)(C)CNc1cc(NCC(C)(C)OC)c([N+](=O)[O-])c(-c2nn[n-]n2)c1	ZINC000821673669	599067876	/nfs/dbraw/zinc/06/78/76/599067876.db2.gz	IOPVDNYOVGYKHR-UHFFFAOYSA-N	-1	1	393.448	2.449	20	5		GEBDMM
O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)nc1	ZINC000738235165	599261451	/nfs/dbraw/zinc/26/14/51/599261451.db2.gz	ODCGCEVKFKBEFM-UHFFFAOYSA-N	-1	1	393.319	2.182	20	5		GEBDMM
O=C(OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)nc1	ZINC000738235165	599261453	/nfs/dbraw/zinc/26/14/53/599261453.db2.gz	ODCGCEVKFKBEFM-UHFFFAOYSA-N	-1	1	393.319	2.182	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCOC2(CCSCC2)C1	ZINC000823620768	607331482	/nfs/dbraw/zinc/33/14/82/607331482.db2.gz	PTHCVXGVXTUBAN-SNVBAGLBSA-N	-1	1	377.430	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCOC2(CCSCC2)C1	ZINC000823620768	607331483	/nfs/dbraw/zinc/33/14/83/607331483.db2.gz	PTHCVXGVXTUBAN-SNVBAGLBSA-N	-1	1	377.430	2.027	20	5		GEBDMM
O=[N+]([O-])c1cc(NCCc2csc(N3CCCC3)n2)ccc1-c1nn[n-]n1	ZINC000823634716	607347192	/nfs/dbraw/zinc/34/71/92/607347192.db2.gz	KMJMJCRWWIFCHJ-UHFFFAOYSA-N	-1	1	386.441	2.486	20	5		GEBDMM
O=[N+]([O-])c1cc(NCc2ccc(Cn3cncn3)cc2)ccc1-c1nn[n-]n1	ZINC000823634745	607347579	/nfs/dbraw/zinc/34/75/79/607347579.db2.gz	LDQOKVFUCCGGMV-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nccnc1-c1nnn[n-]1	ZINC000738359823	598339322	/nfs/dbraw/zinc/33/93/22/598339322.db2.gz	OAKXCDLGUDYLDC-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nccnc1-c1nn[n-]n1	ZINC000738359823	598339324	/nfs/dbraw/zinc/33/93/24/598339324.db2.gz	OAKXCDLGUDYLDC-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
O=C([O-])[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000739513307	599814985	/nfs/dbraw/zinc/81/49/85/599814985.db2.gz	SAFVVAPNEAKHKP-LBPRGKRZSA-N	-1	1	390.295	2.116	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c([N+](=O)[O-])c1	ZINC000485281713	600235962	/nfs/dbraw/zinc/23/59/62/600235962.db2.gz	WGEHQBNSYJSLSU-UHFFFAOYSA-N	-1	1	398.324	2.020	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)cc1	ZINC000826499158	607449516	/nfs/dbraw/zinc/44/95/16/607449516.db2.gz	XVPBJOCNJSPNIH-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)cc1	ZINC000826499158	607449518	/nfs/dbraw/zinc/44/95/18/607449518.db2.gz	XVPBJOCNJSPNIH-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
COC(=O)c1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831326847	600690411	/nfs/dbraw/zinc/69/04/11/600690411.db2.gz	BIAXGZDLESSWCE-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
CN1CCN(Cc2ccc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1	ZINC000830954766	600959659	/nfs/dbraw/zinc/95/96/59/600959659.db2.gz	KCDPSFSUIZSVCB-UHFFFAOYSA-N	-1	1	398.419	2.293	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc(Cl)c2)c1-c1nn[n-]n1	ZINC000826500311	607572860	/nfs/dbraw/zinc/57/28/60/607572860.db2.gz	SZKRBIQPRVIJKG-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739872046	602829894	/nfs/dbraw/zinc/82/98/94/602829894.db2.gz	OTWVXKWHWBNJCL-RYUDHWBXSA-N	-1	1	380.401	2.005	20	5		GEBDMM
COc1cc(CN[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000739860931	602877579	/nfs/dbraw/zinc/87/75/79/602877579.db2.gz	RFLOYIRSJQMKEM-JTQLQIEISA-N	-1	1	393.318	2.386	20	5		GEBDMM
CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825251566	607606681	/nfs/dbraw/zinc/60/66/81/607606681.db2.gz	CLJKAEGSYAMGRK-NWDGAFQWSA-N	-1	1	394.457	2.412	20	5		GEBDMM
O=C([O-])N1CCc2c(cccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000740529171	603182927	/nfs/dbraw/zinc/18/29/27/603182927.db2.gz	JMPBDWSWBNXZMB-UHFFFAOYSA-N	-1	1	377.378	2.432	20	5		GEBDMM
CC[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000825192820	607641893	/nfs/dbraw/zinc/64/18/93/607641893.db2.gz	JDIQZAQFMWPYLA-MNOVXSKESA-N	-1	1	380.430	2.022	20	5		GEBDMM
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCCC1	ZINC000824641556	607644998	/nfs/dbraw/zinc/64/49/98/607644998.db2.gz	WVSYEOCUSIGOSW-SNVBAGLBSA-N	-1	1	380.430	2.022	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833908008	605450183	/nfs/dbraw/zinc/45/01/83/605450183.db2.gz	YXRNKUDMRREIGL-QEJZJMRPSA-N	-1	1	376.413	2.210	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000833907544	605877317	/nfs/dbraw/zinc/87/73/17/605877317.db2.gz	LTCUQZBRQWXWTP-NNQSOWQGSA-N	-1	1	376.413	2.447	20	5		GEBDMM
COc1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1	ZINC000821845820	606132200	/nfs/dbraw/zinc/13/22/00/606132200.db2.gz	JNRRACPDEIDQQL-UHFFFAOYSA-N	-1	1	391.365	2.081	20	5		GEBDMM
COc1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1	ZINC000821845820	606132202	/nfs/dbraw/zinc/13/22/02/606132202.db2.gz	JNRRACPDEIDQQL-UHFFFAOYSA-N	-1	1	391.365	2.081	20	5		GEBDMM
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2=Cc1ccc(-c2nn[n-]n2)s1	ZINC000823665608	606389989	/nfs/dbraw/zinc/38/99/89/606389989.db2.gz	SBVGSIOGMAKLBM-VQHVLOKHSA-N	-1	1	393.388	2.491	20	5		GEBDMM
O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccc(-c2nn[n-]n2)s1	ZINC000823299445	606499834	/nfs/dbraw/zinc/49/98/34/606499834.db2.gz	XOVPRICOMUPKBZ-UHFFFAOYSA-N	-1	1	388.365	2.250	20	5		GEBDMM
O=C(c1ccoc1)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000823498165	606645199	/nfs/dbraw/zinc/64/51/99/606645199.db2.gz	FXHFCEWAIGQLDU-UHFFFAOYSA-N	-1	1	383.368	2.085	20	5		GEBDMM
CC(C)(C)OC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000819939982	606645538	/nfs/dbraw/zinc/64/55/38/606645538.db2.gz	MVEKPJZUACTJGJ-UHFFFAOYSA-N	-1	1	389.416	2.268	20	5		GEBDMM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000820557440	606648701	/nfs/dbraw/zinc/64/87/01/606648701.db2.gz	ZHENBONSWDAIPT-JTQLQIEISA-N	-1	1	386.393	2.394	20	5		GEBDMM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000820557440	606648702	/nfs/dbraw/zinc/64/87/02/606648702.db2.gz	ZHENBONSWDAIPT-JTQLQIEISA-N	-1	1	386.393	2.394	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cnn(Cc2ccccc2)c1	ZINC000823625183	606698474	/nfs/dbraw/zinc/69/84/74/606698474.db2.gz	SMCZJLLTPHOAHC-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cnn(Cc2ccccc2)c1	ZINC000823625183	606698475	/nfs/dbraw/zinc/69/84/75/606698475.db2.gz	SMCZJLLTPHOAHC-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
COCCOc1cc(C)ccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821693275	606719774	/nfs/dbraw/zinc/71/97/74/606719774.db2.gz	ZUPZGJMNAPVDJH-UHFFFAOYSA-N	-1	1	385.384	2.116	20	5		GEBDMM
COCCOc1cc(C)ccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821693275	606719776	/nfs/dbraw/zinc/71/97/76/606719776.db2.gz	ZUPZGJMNAPVDJH-UHFFFAOYSA-N	-1	1	385.384	2.116	20	5		GEBDMM
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c2ccccc21	ZINC000820767641	607153099	/nfs/dbraw/zinc/15/30/99/607153099.db2.gz	JDAXQBOGPQSSGB-SNVBAGLBSA-N	-1	1	386.393	2.087	20	5		GEBDMM
Cc1occc1-c1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1C	ZINC000822554214	607164907	/nfs/dbraw/zinc/16/49/07/607164907.db2.gz	WXXUEEWTRWXQRA-UHFFFAOYSA-N	-1	1	385.369	2.018	20	5		GEBDMM
Cc1occc1-c1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1C	ZINC000822554214	607164908	/nfs/dbraw/zinc/16/49/08/607164908.db2.gz	WXXUEEWTRWXQRA-UHFFFAOYSA-N	-1	1	385.369	2.018	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1ccc(C(F)(F)F)cn1	ZINC000823624584	607167895	/nfs/dbraw/zinc/16/78/95/607167895.db2.gz	DNIICABDMXUNCW-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1ccc(C(F)(F)F)cn1	ZINC000823624584	607167897	/nfs/dbraw/zinc/16/78/97/607167897.db2.gz	DNIICABDMXUNCW-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)c(F)c2)c1-c1nn[n-]n1	ZINC000826500069	608056995	/nfs/dbraw/zinc/05/69/95/608056995.db2.gz	JZOGWDOQVAYEAG-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCCN(c2ccccc2F)C1	ZINC000826497922	608099198	/nfs/dbraw/zinc/09/91/98/608099198.db2.gz	YRZSQHFJRSABSC-NSHDSACASA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCCN(c2ccccc2F)C1	ZINC000826497922	608099199	/nfs/dbraw/zinc/09/91/99/608099199.db2.gz	YRZSQHFJRSABSC-NSHDSACASA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2c(F)cccc2Cl)c1-c1nn[n-]n1	ZINC000826500222	608565695	/nfs/dbraw/zinc/56/56/95/608565695.db2.gz	OSTAGWNRAUIFKK-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C(OCCCOc1ccc(-c2nn[nH]n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000826463500	609622467	/nfs/dbraw/zinc/62/24/67/609622467.db2.gz	IKVZAQDRZUUHLA-UHFFFAOYSA-N	-1	1	385.336	2.106	20	5		GEBDMM
CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451695103	650134064	/nfs/dbraw/zinc/13/40/64/650134064.db2.gz	MVKDWLZXFIBLHG-LLVKDONJSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C	ZINC000451733835	650137297	/nfs/dbraw/zinc/13/72/97/650137297.db2.gz	KKGOJPXTYGEEQF-ZDUSSCGKSA-N	-1	1	377.850	2.029	20	5		GEBDMM
O=C(NCc1cc2c(c(Br)c1)OCO2)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000516396968	650597262	/nfs/dbraw/zinc/59/72/62/650597262.db2.gz	MAQZGFVIHIZSKO-UHFFFAOYSA-N	-1	1	396.153	2.117	20	5		GEBDMM
Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)c1[N+](=O)[O-]	ZINC000522222677	650623864	/nfs/dbraw/zinc/62/38/64/650623864.db2.gz	AFGHXDRWOJXLSX-UHFFFAOYSA-N	-1	1	392.173	2.426	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000533634173	650764028	/nfs/dbraw/zinc/76/40/28/650764028.db2.gz	PPBCIYDUQOQIFQ-SNVBAGLBSA-N	-1	1	388.833	2.210	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc(Cl)cc1	ZINC000066001487	642894654	/nfs/dbraw/zinc/89/46/54/642894654.db2.gz	QCWZFYXXROEKBV-UHFFFAOYSA-N	-1	1	375.815	2.227	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1	ZINC000121720717	643638846	/nfs/dbraw/zinc/63/88/46/643638846.db2.gz	CTSHJUYRHZDUOE-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
C[C@H]1CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000131250001	643868416	/nfs/dbraw/zinc/86/84/16/643868416.db2.gz	QCKCPFLGCZKANX-RYUDHWBXSA-N	-1	1	391.877	2.026	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1	ZINC000175600760	644392094	/nfs/dbraw/zinc/39/20/94/644392094.db2.gz	NOJCFKVYLXDVHY-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271310015	646190187	/nfs/dbraw/zinc/19/01/87/646190187.db2.gz	YMKWFBFFHLTCFX-VHSXEESVSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C	ZINC000332474465	647439911	/nfs/dbraw/zinc/43/99/11/647439911.db2.gz	NIKVNMSADALLOS-WFASDCNBSA-N	-1	1	392.861	2.093	20	5		GEBDMM
Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000416491833	648146786	/nfs/dbraw/zinc/14/67/86/648146786.db2.gz	ACILRTNEVUXUNI-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000428374080	648733179	/nfs/dbraw/zinc/73/31/79/648733179.db2.gz	PPBCIYDUQOQIFQ-JTQLQIEISA-N	-1	1	388.833	2.210	20	5		GEBDMM
CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000728328963	651542794	/nfs/dbraw/zinc/54/27/94/651542794.db2.gz	DVXRLFOHIWLRJQ-UHFFFAOYSA-N	-1	1	384.391	2.068	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCOCC1CC1	ZINC000609389083	651618464	/nfs/dbraw/zinc/61/84/64/651618464.db2.gz	MEANBNNTGTWINU-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCC12OCCO2	ZINC000746471131	652109130	/nfs/dbraw/zinc/10/91/30/652109130.db2.gz	FDCVIITVBMZMLO-CYBMUJFWSA-N	-1	1	376.818	2.212	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000746664465	652120431	/nfs/dbraw/zinc/12/04/31/652120431.db2.gz	HBQVDIKWSFOIOI-SECBINFHSA-N	-1	1	396.265	2.469	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000751420910	652346692	/nfs/dbraw/zinc/34/66/92/652346692.db2.gz	YCYQIVPUWMCQGT-NSHDSACASA-N	-1	1	392.220	2.309	20	5		GEBDMM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1	ZINC000752250326	652382347	/nfs/dbraw/zinc/38/23/47/652382347.db2.gz	GNSYSTPNKSHDES-UHFFFAOYSA-N	-1	1	388.785	2.415	20	5		GEBDMM
C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000759793581	652586717	/nfs/dbraw/zinc/58/67/17/652586717.db2.gz	JVXAOGKLJNVYGX-ZJUUUORDSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593626282	652629732	/nfs/dbraw/zinc/62/97/32/652629732.db2.gz	STFULLGAMIDTIW-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)(C)OC(=O)N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000763437117	652758447	/nfs/dbraw/zinc/75/84/47/652758447.db2.gz	ZKSIDNGNXRTAAX-SNVBAGLBSA-N	-1	1	391.471	2.238	20	5		GEBDMM
C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000765945918	652859479	/nfs/dbraw/zinc/85/94/79/652859479.db2.gz	RMQZTHNALYWNAM-MZBZXASESA-N	-1	1	376.818	2.424	20	5		GEBDMM
CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599396361	652866079	/nfs/dbraw/zinc/86/60/79/652866079.db2.gz	IHOKJYAWHPNPAY-OQPBUACISA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC(F)(F)C(F)F	ZINC000766180349	652870207	/nfs/dbraw/zinc/87/02/07/652870207.db2.gz	PLQSONJWZNKZEV-UHFFFAOYSA-N	-1	1	394.730	2.444	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]N=c1nc[nH]c2ccsc21	ZINC000766319253	652875836	/nfs/dbraw/zinc/87/58/36/652875836.db2.gz	IJUHUNIGHMFZEQ-UHFFFAOYSA-N	-1	1	379.423	2.089	20	5		GEBDMM
COC(=O)[C@@H](C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768846653	653131448	/nfs/dbraw/zinc/13/14/48/653131448.db2.gz	MFNZPJPXWKDOCE-IINYFYTJSA-N	-1	1	384.435	2.485	20	5		GEBDMM
Cn1cc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1	ZINC000809808681	653296854	/nfs/dbraw/zinc/29/68/54/653296854.db2.gz	DGBFRPRGGDPFGU-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
COCCOCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809813404	653297988	/nfs/dbraw/zinc/29/79/88/653297988.db2.gz	GCDCCOJCBURMHG-UHFFFAOYSA-N	-1	1	384.813	2.109	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)c(Cl)cc1Cl	ZINC000809818099	653300232	/nfs/dbraw/zinc/30/02/32/653300232.db2.gz	ZOOPXTSYPHYBAM-SECBINFHSA-N	-1	1	399.252	2.376	20	5		GEBDMM
CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809821416	653301159	/nfs/dbraw/zinc/30/11/59/653301159.db2.gz	SENKYSYFIZAYOS-MRVPVSSYSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809821417	653301343	/nfs/dbraw/zinc/30/13/43/653301343.db2.gz	SENKYSYFIZAYOS-QMMMGPOBSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CSC[C@@H](CCO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809820480	653301465	/nfs/dbraw/zinc/30/14/65/653301465.db2.gz	ZAJCEPOJNFWZCZ-SSDOTTSWSA-N	-1	1	389.282	2.294	20	5		GEBDMM
CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827510	653303925	/nfs/dbraw/zinc/30/39/25/653303925.db2.gz	BZLNAJNPQXWNHQ-WKEGUHRASA-N	-1	1	389.282	2.292	20	5		GEBDMM
Cn1nc2c(c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCCC2	ZINC000812515234	653431874	/nfs/dbraw/zinc/43/18/74/653431874.db2.gz	APJJEMJKHNTWDW-UHFFFAOYSA-N	-1	1	384.845	2.339	20	5		GEBDMM
COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000859287260	653433699	/nfs/dbraw/zinc/43/36/99/653433699.db2.gz	LWQVUPNJCDVWSS-MRVPVSSYSA-N	-1	1	395.220	2.442	20	5		GEBDMM
NC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1	ZINC000780071792	653619999	/nfs/dbraw/zinc/61/99/99/653619999.db2.gz	LCMZIVZIMRENFM-ZDUSSCGKSA-N	-1	1	395.165	2.446	20	5		GEBDMM
Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000780991441	653636705	/nfs/dbraw/zinc/63/67/05/653636705.db2.gz	GQUOTSJINGIHHJ-UHFFFAOYSA-N	-1	1	385.785	2.162	20	5		GEBDMM
COCCOCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815008885	653642802	/nfs/dbraw/zinc/64/28/02/653642802.db2.gz	RHWJYUKYRAHFRQ-UHFFFAOYSA-N	-1	1	384.813	2.109	20	5		GEBDMM
Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1	ZINC000815018170	653643823	/nfs/dbraw/zinc/64/38/23/653643823.db2.gz	IOFHQVPFVVTPFX-UHFFFAOYSA-N	-1	1	376.797	2.334	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H]2CCO[C@H]21	ZINC000815019869	653644447	/nfs/dbraw/zinc/64/44/47/653644447.db2.gz	PLPHSIKPGVTJKS-HAGUPOPPSA-N	-1	1	378.809	2.479	20	5		GEBDMM
CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815021898	653644693	/nfs/dbraw/zinc/64/46/93/653644693.db2.gz	RCCCBSGEYNMENE-LLVKDONJSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1O	ZINC000815028193	653645609	/nfs/dbraw/zinc/64/56/09/653645609.db2.gz	SZVXBTPIKGNAMI-UKRRQHHQSA-N	-1	1	386.788	2.324	20	5		GEBDMM
CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815030690	653646265	/nfs/dbraw/zinc/64/62/65/653646265.db2.gz	QVKJCAKRGAKHQI-CYBMUJFWSA-N	-1	1	380.825	2.463	20	5		GEBDMM
Cc1nn(C)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841513044	653724183	/nfs/dbraw/zinc/72/41/83/653724183.db2.gz	SDKLJFSEFHDZIU-UHFFFAOYSA-N	-1	1	379.225	2.422	20	5		GEBDMM
CC(C)n1ncnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000841521403	653726365	/nfs/dbraw/zinc/72/63/65/653726365.db2.gz	PBVURCXFLLZFDK-UHFFFAOYSA-N	-1	1	377.785	2.038	20	5		GEBDMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000841537073	653729522	/nfs/dbraw/zinc/72/95/22/653729522.db2.gz	MYCMUSXFBCPNNC-OCAPTIKFSA-N	-1	1	397.222	2.342	20	5		GEBDMM
CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000845969979	653874363	/nfs/dbraw/zinc/87/43/63/653874363.db2.gz	WBLXDJUEXZOOAS-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795868793	653973072	/nfs/dbraw/zinc/97/30/72/653973072.db2.gz	SXRQOCLLOKVHFS-LLVKDONJSA-N	-1	1	399.238	2.446	20	5		GEBDMM
CC(C)OCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795925192	653977512	/nfs/dbraw/zinc/97/75/12/653977512.db2.gz	CUMCRDGZUREMIT-UHFFFAOYSA-N	-1	1	385.211	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCOCC1	ZINC000867885363	654002852	/nfs/dbraw/zinc/00/28/52/654002852.db2.gz	KPJKEQZLROEXJV-JOYOIKCWSA-N	-1	1	378.809	2.481	20	5		GEBDMM
CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000828076309	654021012	/nfs/dbraw/zinc/02/10/12/654021012.db2.gz	VKMIGPYEZXLQEI-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCOC1	ZINC000849415179	654027461	/nfs/dbraw/zinc/02/74/61/654027461.db2.gz	YCCHHNNIYPGZKB-KWQFWETISA-N	-1	1	399.252	2.231	20	5		GEBDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1	ZINC000798225901	654055022	/nfs/dbraw/zinc/05/50/22/654055022.db2.gz	QZVWFUCIYLLVAT-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
CCNC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C	ZINC000831627100	654194982	/nfs/dbraw/zinc/19/49/82/654194982.db2.gz	DEPRNKROQHTBLP-NSHDSACASA-N	-1	1	398.268	2.341	20	5		GEBDMM
CC(C)(C)OC(=O)N1CC[C@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000851900825	654204458	/nfs/dbraw/zinc/20/44/58/654204458.db2.gz	ZYLCRRHEUODXSG-AWEZNQCLSA-N	-1	1	391.471	2.334	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN2CCSC[C@@H]12	ZINC000921323590	654248219	/nfs/dbraw/zinc/24/82/19/654248219.db2.gz	KVEOZERTKBDIJS-AAEUAGOBSA-N	-1	1	391.902	2.106	20	5		GEBDMM
CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1	ZINC000832493977	654269894	/nfs/dbraw/zinc/26/98/94/654269894.db2.gz	DRYYGTVFQLJGAC-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000805109653	654350552	/nfs/dbraw/zinc/35/05/52/654350552.db2.gz	GZQPRCGTEHYBCR-MRVPVSSYSA-N	-1	1	399.238	2.039	20	5		GEBDMM
CCSc1nnc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1	ZINC000014739987	531566482	/nfs/dbraw/zinc/56/64/82/531566482.db2.gz	HIDIRJMUCXIWHJ-UHFFFAOYSA-N	-1	1	388.452	2.214	20	5		GEBDMM
Cn1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1=O	ZINC000161639098	531833911	/nfs/dbraw/zinc/83/39/11/531833911.db2.gz	IKBDRUMUIAOMNX-UHFFFAOYSA-N	-1	1	377.300	2.113	20	5		GEBDMM
CC(C)(C)c1nsc([N-]C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1	ZINC000068074551	531896253	/nfs/dbraw/zinc/89/62/53/531896253.db2.gz	OSQQKGYPUBWPOO-UHFFFAOYSA-N	-1	1	384.439	2.400	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccn21	ZINC000177383486	532169638	/nfs/dbraw/zinc/16/96/38/532169638.db2.gz	ANMSAEYDZLFYAC-VIFPVBQESA-N	-1	1	381.801	2.330	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1	ZINC000132996832	532224788	/nfs/dbraw/zinc/22/47/88/532224788.db2.gz	QCIPPHBXZQGMMO-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO	ZINC000188906379	532350154	/nfs/dbraw/zinc/35/01/54/532350154.db2.gz	DTKQKGJLINKRNW-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000463230697	532370369	/nfs/dbraw/zinc/37/03/69/532370369.db2.gz	QGSVIWRGUMRIFH-USEMIUTHSA-N	-1	1	376.818	2.424	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nncn2C2CC2)c1Cl	ZINC000295093575	532402417	/nfs/dbraw/zinc/40/24/17/532402417.db2.gz	AIDMBHFSAAJKJJ-UHFFFAOYSA-N	-1	1	392.224	2.307	20	5		GEBDMM
CCn1ccnc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295277391	532429396	/nfs/dbraw/zinc/42/93/96/532429396.db2.gz	FKGLLNCMZBDBDO-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)s1	ZINC000428414140	532452134	/nfs/dbraw/zinc/45/21/34/532452134.db2.gz	SJPDLHTVBPOFHO-SWLSCSKDSA-N	-1	1	386.426	2.240	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000468870843	532479507	/nfs/dbraw/zinc/47/95/07/532479507.db2.gz	HVEBMXCPWCTAPU-AWEZNQCLSA-N	-1	1	384.435	2.033	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1ncc(Cl)cc1Cl	ZINC000531631280	532635090	/nfs/dbraw/zinc/63/50/90/532635090.db2.gz	BTFLIRAUMHGXMO-UHFFFAOYSA-N	-1	1	393.208	2.049	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O	ZINC000377287018	532648596	/nfs/dbraw/zinc/64/85/96/532648596.db2.gz	CLNMBUNKRBTWNU-XHDPSFHLSA-N	-1	1	384.797	2.021	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COc2ccccc2[C@H]1O	ZINC000377296933	532649526	/nfs/dbraw/zinc/64/95/26/532649526.db2.gz	AFFDZNZJWARRKK-XHDPSFHLSA-N	-1	1	384.797	2.021	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)c([N+](=O)[O-])n1	ZINC000532854419	532657949	/nfs/dbraw/zinc/65/79/49/532657949.db2.gz	IECVTLSPPUSJJG-KWQFWETISA-N	-1	1	388.808	2.438	20	5		GEBDMM
CCn1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cn1	ZINC000285722955	532702508	/nfs/dbraw/zinc/70/25/08/532702508.db2.gz	UPNPMYXCCKHSIX-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000494309331	532716884	/nfs/dbraw/zinc/71/68/84/532716884.db2.gz	IRXOFEBMQILOLA-NSHDSACASA-N	-1	1	376.456	2.447	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@H](O)C(F)F)s1	ZINC000443222728	532742821	/nfs/dbraw/zinc/74/28/21/532742821.db2.gz	FFSXUXIUZYSOPF-MFKMUULPSA-N	-1	1	392.405	2.172	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)s1	ZINC000580989644	532752207	/nfs/dbraw/zinc/75/22/07/532752207.db2.gz	UHANDNZZRMCUQW-JTQLQIEISA-N	-1	1	378.497	2.379	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000330500117	532819663	/nfs/dbraw/zinc/81/96/63/532819663.db2.gz	NDFCJBGNZFXIFP-KWQFWETISA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1	ZINC000331417096	532839320	/nfs/dbraw/zinc/83/93/20/532839320.db2.gz	OIPUKBMZRLRTER-NSHDSACASA-N	-1	1	390.845	2.255	20	5		GEBDMM
Cc1c(Br)cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-]	ZINC000367116609	532922644	/nfs/dbraw/zinc/92/26/44/532922644.db2.gz	FMYOVKXMKMSJEZ-VIFPVBQESA-N	-1	1	395.217	2.199	20	5		GEBDMM
O=C(c1ccoc1)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000826475055	607451462	/nfs/dbraw/zinc/45/14/62/607451462.db2.gz	QPFOMHCJCCJMAK-UHFFFAOYSA-N	-1	1	383.368	2.085	20	5		GEBDMM
O=C(c1ccoc1)N1CCC(Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000826475055	607451463	/nfs/dbraw/zinc/45/14/63/607451463.db2.gz	QPFOMHCJCCJMAK-UHFFFAOYSA-N	-1	1	383.368	2.085	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000831435073	600689440	/nfs/dbraw/zinc/68/94/40/600689440.db2.gz	NGOWDXHUZZFKDO-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000485226510	600690637	/nfs/dbraw/zinc/69/06/37/600690637.db2.gz	XDEUKTSUQALLAW-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
O=C([O-])C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000833265213	601395113	/nfs/dbraw/zinc/39/51/13/601395113.db2.gz	YLHCJHLIJRYFBK-NSHDSACASA-N	-1	1	385.785	2.138	20	5		GEBDMM
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1	ZINC000833009947	601740895	/nfs/dbraw/zinc/74/08/95/601740895.db2.gz	RZPWCZLJNRZKCB-HXUWFJFHSA-N	-1	1	398.419	2.147	20	5		GEBDMM
CN(C(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1	ZINC000739572421	601931089	/nfs/dbraw/zinc/93/10/89/601931089.db2.gz	OSYTXDZVMQPBET-UHFFFAOYSA-N	-1	1	376.413	2.164	20	5		GEBDMM
Cc1cc(NCc2ccc(N3CCN(C)CC3)nc2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000592967960	602312371	/nfs/dbraw/zinc/31/23/71/602312371.db2.gz	XVDRQLMQKHRPBN-UHFFFAOYSA-N	-1	1	385.424	2.360	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000739376346	602419255	/nfs/dbraw/zinc/41/92/55/602419255.db2.gz	NVAROFHKGGENNZ-YPMHNXCESA-N	-1	1	379.417	2.265	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000825718114	607616561	/nfs/dbraw/zinc/61/65/61/607616561.db2.gz	WCEPKHCCKKIADG-UHFFFAOYSA-N	-1	1	375.366	2.105	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cc(Cl)ccc2F)c1-c1nn[n-]n1	ZINC000826500208	607618993	/nfs/dbraw/zinc/61/89/93/607618993.db2.gz	OIVHAXLOMREKRD-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1	ZINC000832729898	603909910	/nfs/dbraw/zinc/90/99/10/603909910.db2.gz	JUUWBVTUDYHEMQ-UHFFFAOYSA-N	-1	1	388.365	2.461	20	5		GEBDMM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n[nH]1	ZINC000832729898	603909916	/nfs/dbraw/zinc/90/99/16/603909916.db2.gz	JUUWBVTUDYHEMQ-UHFFFAOYSA-N	-1	1	388.365	2.461	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C(=O)[O-])CC1(C)C	ZINC000829515196	603916977	/nfs/dbraw/zinc/91/69/77/603916977.db2.gz	FLRXRPFZFBZIFU-UHFFFAOYSA-N	-1	1	380.401	2.006	20	5		GEBDMM
O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1	ZINC000826498161	607677890	/nfs/dbraw/zinc/67/78/90/607677890.db2.gz	JLAUJWDLLSSRNL-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1	ZINC000826498161	607677892	/nfs/dbraw/zinc/67/78/92/607677892.db2.gz	JLAUJWDLLSSRNL-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc(OC)c1	ZINC000833730133	605324273	/nfs/dbraw/zinc/32/42/73/605324273.db2.gz	XGURCEYIEUBDHA-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])ccc1F	ZINC000833398953	605326908	/nfs/dbraw/zinc/32/69/08/605326908.db2.gz	YIKVOLPQMNJNOW-UHFFFAOYSA-N	-1	1	397.340	2.191	20	5		GEBDMM
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833789017	605455041	/nfs/dbraw/zinc/45/50/41/605455041.db2.gz	FUHMMXZJWHAKAN-NOXHYTERSA-N	-1	1	376.413	2.290	20	5		GEBDMM
CCOc1ccc(C[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000833664067	605703563	/nfs/dbraw/zinc/70/35/63/605703563.db2.gz	JKAWGAJEIHVZCT-CQSZACIVSA-N	-1	1	388.376	2.372	20	5		GEBDMM
Cc1ccc(NCCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])c1	ZINC000822254479	606569835	/nfs/dbraw/zinc/56/98/35/606569835.db2.gz	LEGPOOIMKIQWLU-UHFFFAOYSA-N	-1	1	387.425	2.377	20	5		GEBDMM
Cc1ccc(NCCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])c1	ZINC000822254479	606569837	/nfs/dbraw/zinc/56/98/37/606569837.db2.gz	LEGPOOIMKIQWLU-UHFFFAOYSA-N	-1	1	387.425	2.377	20	5		GEBDMM
CC1CCN(C(=O)C2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)CC1	ZINC000820715707	606645535	/nfs/dbraw/zinc/64/55/35/606645535.db2.gz	DGSAPPHACZLFOT-UHFFFAOYSA-N	-1	1	399.455	2.250	20	5		GEBDMM
CC(C)c1nc([C@@H]2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)no1	ZINC000820202411	606704965	/nfs/dbraw/zinc/70/49/65/606704965.db2.gz	HTHZWYFYWLLZGP-SNVBAGLBSA-N	-1	1	385.388	2.060	20	5		GEBDMM
CC(C)c1nc([C@@H]2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)no1	ZINC000820202411	606704966	/nfs/dbraw/zinc/70/49/66/606704966.db2.gz	HTHZWYFYWLLZGP-SNVBAGLBSA-N	-1	1	385.388	2.060	20	5		GEBDMM
O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000823488118	606712582	/nfs/dbraw/zinc/71/25/82/606712582.db2.gz	JDEABRFYRTYXQP-GFCCVEGCSA-N	-1	1	397.370	2.408	20	5		GEBDMM
O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000823488118	606712583	/nfs/dbraw/zinc/71/25/83/606712583.db2.gz	JDEABRFYRTYXQP-GFCCVEGCSA-N	-1	1	397.370	2.408	20	5		GEBDMM
CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820860251	606734156	/nfs/dbraw/zinc/73/41/56/606734156.db2.gz	IOHLACPZSBWPEE-NEPJUHHUSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CN(Cc1nc(-c2ccccc2)c[nH]1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821616735	606880246	/nfs/dbraw/zinc/88/02/46/606880246.db2.gz	FKVAXHHKFGCUSV-UHFFFAOYSA-N	-1	1	377.368	2.196	20	5		GEBDMM
CN(Cc1nc(-c2ccccc2)c[nH]1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821616735	606880247	/nfs/dbraw/zinc/88/02/47/606880247.db2.gz	FKVAXHHKFGCUSV-UHFFFAOYSA-N	-1	1	377.368	2.196	20	5		GEBDMM
Cc1cccc(-c2nnc(Sc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])n2C)c1	ZINC000822284289	607164753	/nfs/dbraw/zinc/16/47/53/607164753.db2.gz	NQUBESGUTZMTKU-UHFFFAOYSA-N	-1	1	395.408	2.425	20	5		GEBDMM
Cc1cccc(-c2nnc(Sc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])n2C)c1	ZINC000822284289	607164754	/nfs/dbraw/zinc/16/47/54/607164754.db2.gz	NQUBESGUTZMTKU-UHFFFAOYSA-N	-1	1	395.408	2.425	20	5		GEBDMM
O=C(OCc1cn2ccccc2c1-c1nn[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000823440402	607205542	/nfs/dbraw/zinc/20/55/42/607205542.db2.gz	RQSDPJBVTFGLAR-UHFFFAOYSA-N	-1	1	380.320	2.090	20	5		GEBDMM
COc1ccc(C[C@H](C)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000826192088	608051893	/nfs/dbraw/zinc/05/18/93/608051893.db2.gz	ZOOLEICLJRRNQL-LBPRGKRZSA-N	-1	1	383.412	2.494	20	5		GEBDMM
COc1ccc(C[C@H](C)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000826192088	608051894	/nfs/dbraw/zinc/05/18/94/608051894.db2.gz	ZOOLEICLJRRNQL-LBPRGKRZSA-N	-1	1	383.412	2.494	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000826497846	609321774	/nfs/dbraw/zinc/32/17/74/609321774.db2.gz	WLKIONJTKCHAED-UHFFFAOYSA-N	-1	1	390.747	2.386	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000826497846	609321776	/nfs/dbraw/zinc/32/17/76/609321776.db2.gz	WLKIONJTKCHAED-UHFFFAOYSA-N	-1	1	390.747	2.386	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000826467204	609352912	/nfs/dbraw/zinc/35/29/12/609352912.db2.gz	LOTAFWLTEPJNGU-UHFFFAOYSA-N	-1	1	376.279	2.005	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000826467204	609352915	/nfs/dbraw/zinc/35/29/15/609352915.db2.gz	LOTAFWLTEPJNGU-UHFFFAOYSA-N	-1	1	376.279	2.005	20	5		GEBDMM
CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2-c2nnn[n-]2)cc1OC	ZINC000825068046	609375596	/nfs/dbraw/zinc/37/55/96/609375596.db2.gz	OUTHCSPWJXMOJX-LLVKDONJSA-N	-1	1	387.400	2.453	20	5		GEBDMM
CC[C@@H](C)COc1cc([N+](=O)[O-])c(Cn2ccnc2-c2nn[n-]n2)cc1OC	ZINC000825068046	609375598	/nfs/dbraw/zinc/37/55/98/609375598.db2.gz	OUTHCSPWJXMOJX-LLVKDONJSA-N	-1	1	387.400	2.453	20	5		GEBDMM
CCc1ncc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000451962238	650158522	/nfs/dbraw/zinc/15/85/22/650158522.db2.gz	VYNPRTBAYNIHGV-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000451981988	650161147	/nfs/dbraw/zinc/16/11/47/650161147.db2.gz	FMXHTPDIISZQOL-SDBXPKJASA-N	-1	1	393.259	2.449	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000503830206	650422982	/nfs/dbraw/zinc/42/29/82/650422982.db2.gz	PIOUUBWJIDRFHI-ZJUUUORDSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COC(=O)c1cccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)[nH]c21	ZINC000510235501	650508846	/nfs/dbraw/zinc/50/88/46/650508846.db2.gz	HWICIZPFXCEQAW-UHFFFAOYSA-N	-1	1	382.379	2.120	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1	ZINC000511221487	650529739	/nfs/dbraw/zinc/52/97/39/650529739.db2.gz	IMLQERANAHDZMQ-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)on1	ZINC000532614476	650751029	/nfs/dbraw/zinc/75/10/29/650751029.db2.gz	SYTPYMILKRGZTK-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c([N+](=O)[O-])n1	ZINC000532858695	650754199	/nfs/dbraw/zinc/75/41/99/650754199.db2.gz	NMYQTXNKJDNQFX-UHFFFAOYSA-N	-1	1	383.411	2.006	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000533632508	650763878	/nfs/dbraw/zinc/76/38/78/650763878.db2.gz	ICFVIGSICIBGMW-JTQLQIEISA-N	-1	1	388.833	2.210	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1nccs1	ZINC000060229624	642834486	/nfs/dbraw/zinc/83/44/86/642834486.db2.gz	DQHBTAPUZXVZTB-UHFFFAOYSA-N	-1	1	392.256	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(N3CCSCC3)CCCC2)s1	ZINC000066000390	642894061	/nfs/dbraw/zinc/89/40/61/642894061.db2.gz	IXZNMMSFXDXSPB-UHFFFAOYSA-N	-1	1	391.540	2.296	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3F)C2)s1	ZINC000106896612	643244219	/nfs/dbraw/zinc/24/42/19/643244219.db2.gz	JHJQNWFTRMPLMH-JTQLQIEISA-N	-1	1	389.405	2.492	20	5		GEBDMM
O=C1CCCN1c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000119557261	643557117	/nfs/dbraw/zinc/55/71/17/643557117.db2.gz	XDFRVLDQXYSRPW-UHFFFAOYSA-N	-1	1	381.435	2.262	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1	ZINC000119998071	643583960	/nfs/dbraw/zinc/58/39/60/643583960.db2.gz	HFSYJSYPIIOHCL-SNVBAGLBSA-N	-1	1	379.423	2.277	20	5		GEBDMM
CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000123706954	643675713	/nfs/dbraw/zinc/67/57/13/643675713.db2.gz	YPOBQARBRZBJLI-SNVBAGLBSA-N	-1	1	395.275	2.434	20	5		GEBDMM
Cn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(F)(F)F)n1	ZINC000124910742	643693452	/nfs/dbraw/zinc/69/34/52/643693452.db2.gz	LOENKNBFAXUXFJ-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1ncccc1F	ZINC000156749672	644115821	/nfs/dbraw/zinc/11/58/21/644115821.db2.gz	SVIUAQIUTAEISZ-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O	ZINC000158316964	644142849	/nfs/dbraw/zinc/14/28/49/644142849.db2.gz	WEQKQMXTXLGZMC-SKDRFNHKSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@]1(O)CCc2ccccc21	ZINC000162201551	644233451	/nfs/dbraw/zinc/23/34/51/644233451.db2.gz	HDOSVVPQBKRHAH-MRXNPFEDSA-N	-1	1	382.825	2.361	20	5		GEBDMM
C[S@@](=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000175876192	644395146	/nfs/dbraw/zinc/39/51/46/644395146.db2.gz	NGAKNMGYJLTELH-HSZRJFAPSA-N	-1	1	388.854	2.464	20	5		GEBDMM
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271310013	646190327	/nfs/dbraw/zinc/19/03/27/646190327.db2.gz	YMKWFBFFHLTCFX-UWVGGRQHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCO[C@@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C	ZINC000332474454	647440032	/nfs/dbraw/zinc/44/00/32/647440032.db2.gz	NIKVNMSADALLOS-IUODEOHRSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)cc1Cl	ZINC000377855995	647869625	/nfs/dbraw/zinc/86/96/25/647869625.db2.gz	MLGQDFJWLBJGPP-XPTSAGLGSA-N	-1	1	394.808	2.004	20	5		GEBDMM
O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1c[nH]nc1[N+](=O)[O-]	ZINC000549156463	651092884	/nfs/dbraw/zinc/09/28/84/651092884.db2.gz	GQHSFTKPJIQVEW-UHFFFAOYSA-N	-1	1	378.146	2.118	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1	ZINC000553905812	651193451	/nfs/dbraw/zinc/19/34/51/651193451.db2.gz	RMSNXHMDIQMISL-UHFFFAOYSA-N	-1	1	382.316	2.001	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1	ZINC000725817542	651479838	/nfs/dbraw/zinc/47/98/38/651479838.db2.gz	RYRDTEZEIUOQKG-NSHDSACASA-N	-1	1	384.797	2.367	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1	ZINC000725817541	651479852	/nfs/dbraw/zinc/47/98/52/651479852.db2.gz	RYRDTEZEIUOQKG-LLVKDONJSA-N	-1	1	384.797	2.367	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1	ZINC000611105467	651706989	/nfs/dbraw/zinc/70/69/89/651706989.db2.gz	RZZHLDQIFKJPSN-UHFFFAOYSA-N	-1	1	387.487	2.086	20	5		GEBDMM
CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000734807228	651755132	/nfs/dbraw/zinc/75/51/32/651755132.db2.gz	WGLWGYDYPHWILQ-UHFFFAOYSA-N	-1	1	388.398	2.079	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(C)C	ZINC000742309307	651978258	/nfs/dbraw/zinc/97/82/58/651978258.db2.gz	PLIJUGSPVXDHAU-JTQLQIEISA-N	-1	1	378.834	2.362	20	5		GEBDMM
NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000750153392	652283281	/nfs/dbraw/zinc/28/32/81/652283281.db2.gz	GFMPXTDQLBVXQW-UHFFFAOYSA-N	-1	1	384.801	2.217	20	5		GEBDMM
COc1cccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000751288217	652338500	/nfs/dbraw/zinc/33/85/00/652338500.db2.gz	OFXXPLWZSDTERA-AWEZNQCLSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000751982856	652375263	/nfs/dbraw/zinc/37/52/63/652375263.db2.gz	RLTZDWHBGDHEAM-LLVKDONJSA-N	-1	1	376.818	2.258	20	5		GEBDMM
COCC1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1	ZINC000585741681	652536594	/nfs/dbraw/zinc/53/65/94/652536594.db2.gz	LQMYFCDKHJYVDE-UHFFFAOYSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000590169338	652575890	/nfs/dbraw/zinc/57/58/90/652575890.db2.gz	QXMKLAQHDVFVJH-LLVKDONJSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000590169339	652575976	/nfs/dbraw/zinc/57/59/76/652575976.db2.gz	QXMKLAQHDVFVJH-NSHDSACASA-N	-1	1	379.232	2.061	20	5		GEBDMM
COCC1(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000592067352	652583036	/nfs/dbraw/zinc/58/30/36/652583036.db2.gz	GEZKEOYFUZRGAK-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000759793578	652586729	/nfs/dbraw/zinc/58/67/29/652586729.db2.gz	JVXAOGKLJNVYGX-NXEZZACHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593626281	652629699	/nfs/dbraw/zinc/62/96/99/652629699.db2.gz	STFULLGAMIDTIW-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000594807733	652684687	/nfs/dbraw/zinc/68/46/87/652684687.db2.gz	GPHIIWUHIHIAED-LOWVWBTDSA-N	-1	1	392.861	2.093	20	5		GEBDMM
CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000595391945	652719594	/nfs/dbraw/zinc/71/95/94/652719594.db2.gz	IJNFXXPZQZRGOF-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000599204898	652853939	/nfs/dbraw/zinc/85/39/39/652853939.db2.gz	SYWFJRXKSZIVQU-MRVPVSSYSA-N	-1	1	378.332	2.387	20	5		GEBDMM
C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000765945920	652859464	/nfs/dbraw/zinc/85/94/64/652859464.db2.gz	RMQZTHNALYWNAM-TZNOJPMFSA-N	-1	1	376.818	2.424	20	5		GEBDMM
COC(=O)[C@@](C)([N-]S(=O)(=O)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1	ZINC000599488371	652876237	/nfs/dbraw/zinc/87/62/37/652876237.db2.gz	YJRFQWRWWYVJNW-HNNXBMFYSA-N	-1	1	384.435	2.331	20	5		GEBDMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000769909388	653189248	/nfs/dbraw/zinc/18/92/48/653189248.db2.gz	ULGYLJFONMOQPE-LURJTMIESA-N	-1	1	391.203	2.088	20	5		GEBDMM
COc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)n2C	ZINC000770285904	653207700	/nfs/dbraw/zinc/20/77/00/653207700.db2.gz	HNKYDQVNNRMTDB-UHFFFAOYSA-N	-1	1	382.423	2.030	20	5		GEBDMM
Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809814483	653298341	/nfs/dbraw/zinc/29/83/41/653298341.db2.gz	NMLLIFCETGSTLR-UHFFFAOYSA-N	-1	1	383.188	2.253	20	5		GEBDMM
CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O	ZINC000809817142	653299822	/nfs/dbraw/zinc/29/98/22/653299822.db2.gz	UAGSVGMBBSBGAQ-JTQLQIEISA-N	-1	1	396.252	2.189	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)cc1Cl	ZINC000809820407	653301415	/nfs/dbraw/zinc/30/14/15/653301415.db2.gz	WXHXVJKBCGRZOX-JTQLQIEISA-N	-1	1	396.824	2.109	20	5		GEBDMM
COC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000775207017	653305062	/nfs/dbraw/zinc/30/50/62/653305062.db2.gz	CZPQCMLYKSHXOX-JTQLQIEISA-N	-1	1	376.740	2.494	20	5		GEBDMM
CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809830754	653305385	/nfs/dbraw/zinc/30/53/85/653305385.db2.gz	CMBJHRFTOIQLJD-JQWIXIFHSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)OCCO1	ZINC000809830981	653305593	/nfs/dbraw/zinc/30/55/93/653305593.db2.gz	LJSMHWWXAYPIFH-UHFFFAOYSA-N	-1	1	385.225	2.333	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)cc1Cl	ZINC000809832447	653305973	/nfs/dbraw/zinc/30/59/73/653305973.db2.gz	QFJGKOCGHIRXSG-SNVBAGLBSA-N	-1	1	378.765	2.382	20	5		GEBDMM
CCn1cccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1=O	ZINC000809839335	653307834	/nfs/dbraw/zinc/30/78/34/653307834.db2.gz	JBKIJELMOUOIKP-UHFFFAOYSA-N	-1	1	389.792	2.047	20	5		GEBDMM
CC1CCC2(CC1)OC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)O2	ZINC000776878207	653380452	/nfs/dbraw/zinc/38/04/52/653380452.db2.gz	SMOIFSSPHBKABJ-CVZZAPKMSA-N	-1	1	376.456	2.256	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCCCC3)O2)s1	ZINC000776882436	653380506	/nfs/dbraw/zinc/38/05/06/653380506.db2.gz	XALCFXVDAMZLSA-LLVKDONJSA-N	-1	1	376.456	2.401	20	5		GEBDMM
O=C([N-]C[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1)C(F)(F)F	ZINC000811856747	653410476	/nfs/dbraw/zinc/41/04/76/653410476.db2.gz	QPPNAIBXXYYZLX-MRVPVSSYSA-N	-1	1	377.348	2.199	20	5		GEBDMM
COC(=O)[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815016722	653643868	/nfs/dbraw/zinc/64/38/68/653643868.db2.gz	NGNNTUSGYDRTBD-CYBMUJFWSA-N	-1	1	380.781	2.007	20	5		GEBDMM
CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815018743	653644189	/nfs/dbraw/zinc/64/41/89/653644189.db2.gz	ZLWFVAYSLXYYQI-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]2CCO[C@@H]21	ZINC000815019861	653644386	/nfs/dbraw/zinc/64/43/86/653644386.db2.gz	PLPHSIKPGVTJKS-BLBGDKDGSA-N	-1	1	378.809	2.479	20	5		GEBDMM
CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815030253	653646135	/nfs/dbraw/zinc/64/61/35/653646135.db2.gz	YVKMYVWLRCAOKF-MRVPVSSYSA-N	-1	1	382.797	2.255	20	5		GEBDMM
CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815033319	653646458	/nfs/dbraw/zinc/64/64/58/653646458.db2.gz	YKIMYEVZFZZUCP-SFYZADRCSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000815041324	653647497	/nfs/dbraw/zinc/64/74/97/653647497.db2.gz	PHKFJZJHCLGPHJ-BDAKNGLRSA-N	-1	1	394.808	2.397	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)O1	ZINC000841561851	653734339	/nfs/dbraw/zinc/73/43/39/653734339.db2.gz	YYRTXKFLMCYBER-UTLUCORTSA-N	-1	1	393.259	2.449	20	5		GEBDMM
Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1	ZINC000790826057	653798174	/nfs/dbraw/zinc/79/81/74/653798174.db2.gz	HFEZBNDHKDFDLT-UHFFFAOYSA-N	-1	1	386.411	2.363	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCCO1	ZINC000795805563	653967601	/nfs/dbraw/zinc/96/76/01/653967601.db2.gz	PALSPOKKEBRETL-MRVPVSSYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
Cn1cccc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795866850	653972713	/nfs/dbraw/zinc/97/27/13/653972713.db2.gz	LCSDETDUWSTCOO-UHFFFAOYSA-N	-1	1	392.206	2.313	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC=CO1	ZINC000795945424	653979343	/nfs/dbraw/zinc/97/93/43/653979343.db2.gz	UMMXCZAFWRLILF-QMMMGPOBSA-N	-1	1	395.206	2.467	20	5		GEBDMM
CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000828076318	654020950	/nfs/dbraw/zinc/02/09/50/654020950.db2.gz	VKMIGPYEZXLQEI-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000849468871	654043678	/nfs/dbraw/zinc/04/36/78/654043678.db2.gz	INKZBMNPHKGFGI-VIFPVBQESA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ncc1Br	ZINC000798162470	654052266	/nfs/dbraw/zinc/05/22/66/654052266.db2.gz	ZHZAGNGTTVSAKI-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)cc1Cl	ZINC000798227131	654055757	/nfs/dbraw/zinc/05/57/57/654055757.db2.gz	KBSNFAMSHGJROM-UKRRQHHQSA-N	-1	1	386.788	2.324	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1Cl	ZINC000830844626	654146823	/nfs/dbraw/zinc/14/68/23/654146823.db2.gz	FAOIFVMRQCYOTK-VIFPVBQESA-N	-1	1	399.252	2.376	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H]1OC	ZINC000831106460	654164521	/nfs/dbraw/zinc/16/45/21/654164521.db2.gz	YOOJEABTAKCTKD-UISBYWKRSA-N	-1	1	399.252	2.372	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]([C@H](CO)C2CC2)C2CC2)cc1Cl	ZINC000832230399	654249277	/nfs/dbraw/zinc/24/92/77/654249277.db2.gz	CBMWNWUJKPJFOL-MEBBXXQBSA-N	-1	1	392.836	2.463	20	5		GEBDMM
CS(=O)(=O)c1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1	ZINC000067754928	531888898	/nfs/dbraw/zinc/88/88/98/531888898.db2.gz	RLWDKJVKINYTJH-UHFFFAOYSA-N	-1	1	378.338	2.040	20	5		GEBDMM
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000171421892	531905546	/nfs/dbraw/zinc/90/55/46/531905546.db2.gz	HZZZSEYRKJTCGZ-LLVKDONJSA-N	-1	1	392.275	2.120	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCOCC1	ZINC000133020296	532224930	/nfs/dbraw/zinc/22/49/30/532224930.db2.gz	YZOOWDDFWAMBAE-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1	ZINC000425203202	532373432	/nfs/dbraw/zinc/37/34/32/532373432.db2.gz	LQMJJGNGQVDRHP-VIFPVBQESA-N	-1	1	385.423	2.186	20	5		GEBDMM
CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])s1	ZINC000466395713	532427737	/nfs/dbraw/zinc/42/77/37/532427737.db2.gz	KPEJNGWVWAHUEE-UHFFFAOYSA-N	-1	1	386.386	2.493	20	5		GEBDMM
CCn1ccnc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295593267	532461978	/nfs/dbraw/zinc/46/19/78/532461978.db2.gz	WTCDDCKFIIHOJA-UHFFFAOYSA-N	-1	1	389.231	2.052	20	5		GEBDMM
O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Br)o2)cc1	ZINC000519693602	532475294	/nfs/dbraw/zinc/47/52/94/532475294.db2.gz	AWBFVLRAZMDVCP-UHFFFAOYSA-N	-1	1	391.199	2.308	20	5		GEBDMM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000296289322	532512496	/nfs/dbraw/zinc/51/24/96/532512496.db2.gz	RORIHFSXNIVVGT-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
COC(=O)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000594860784	532537132	/nfs/dbraw/zinc/53/71/32/532537132.db2.gz	LLZOXWRUJNBKRD-JTQLQIEISA-N	-1	1	376.818	2.116	20	5		GEBDMM
C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296417492	532520147	/nfs/dbraw/zinc/52/01/47/532520147.db2.gz	URIPTKGLLXGIFS-BDAKNGLRSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c([N+](=O)[O-])n1	ZINC000565860755	532581473	/nfs/dbraw/zinc/58/14/73/532581473.db2.gz	PWCNIQQFIMVQSB-QMMMGPOBSA-N	-1	1	376.847	2.492	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599460007	532660323	/nfs/dbraw/zinc/66/03/23/532660323.db2.gz	PSIAOYUAPVOVRL-LOKDSWTASA-N	-1	1	393.259	2.448	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2csc(C(F)(F)F)c2)c([N+](=O)[O-])n1	ZINC000599502241	532663276	/nfs/dbraw/zinc/66/32/76/532663276.db2.gz	XMABLEMHDQHBCS-UHFFFAOYSA-N	-1	1	384.361	2.370	20	5		GEBDMM
C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285495347	532684776	/nfs/dbraw/zinc/68/47/76/532684776.db2.gz	DWWFCICWZOWHNU-NXEZZACHSA-N	-1	1	393.259	2.308	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccc(C(F)(F)F)n2)s1	ZINC000535331965	532679448	/nfs/dbraw/zinc/67/94/48/532679448.db2.gz	KUIOSUIFESJXPS-UHFFFAOYSA-N	-1	1	397.356	2.427	20	5		GEBDMM
CSC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000266217312	532708308	/nfs/dbraw/zinc/70/83/08/532708308.db2.gz	RPZKYKNEDADXQD-UHFFFAOYSA-N	-1	1	380.875	2.439	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000266242313	532711055	/nfs/dbraw/zinc/71/10/55/532711055.db2.gz	WJTGWODPVMEADE-IUCAKERBSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1(C)C	ZINC000440399008	532711996	/nfs/dbraw/zinc/71/19/96/532711996.db2.gz	PDKWZGYVMYSRMK-NWDGAFQWSA-N	-1	1	393.259	2.449	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CCCOCC1	ZINC000286548166	532754255	/nfs/dbraw/zinc/75/42/55/532754255.db2.gz	USTYKRQIRBGUDC-MRVPVSSYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Br)o2)cc1	ZINC000546799911	532786364	/nfs/dbraw/zinc/78/63/64/532786364.db2.gz	YGHRJMGKYMKCEQ-UHFFFAOYSA-N	-1	1	375.200	2.471	20	5		GEBDMM
CCOC(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)OCC	ZINC000289261721	532851338	/nfs/dbraw/zinc/85/13/38/532851338.db2.gz	AFSNMGODQGSBEO-UHFFFAOYSA-N	-1	1	384.813	2.455	20	5		GEBDMM
O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc([N+](=O)[O-])ncc1Br	ZINC000366598607	532919364	/nfs/dbraw/zinc/91/93/64/532919364.db2.gz	CUKUQWLMMVWFOT-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=C(c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1)N1CCCC1	ZINC000738266945	598502568	/nfs/dbraw/zinc/50/25/68/598502568.db2.gz	FCWXPXCKEJRJKV-UHFFFAOYSA-N	-1	1	381.352	2.198	20	5		GEBDMM
O=C(c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1)N1CCCC1	ZINC000738266945	598502569	/nfs/dbraw/zinc/50/25/69/598502569.db2.gz	FCWXPXCKEJRJKV-UHFFFAOYSA-N	-1	1	381.352	2.198	20	5		GEBDMM
O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nnn[n-]2)o1	ZINC000823548122	599310364	/nfs/dbraw/zinc/31/03/64/599310364.db2.gz	UHFALXNYWHVCAS-RMKNXTFCSA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=NC1=Cc1ccc(-c2nn[n-]n2)o1	ZINC000823548122	599310367	/nfs/dbraw/zinc/31/03/67/599310367.db2.gz	UHFALXNYWHVCAS-RMKNXTFCSA-N	-1	1	386.711	2.366	20	5		GEBDMM
O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)ccc1F	ZINC000739373343	599990444	/nfs/dbraw/zinc/99/04/44/599990444.db2.gz	OSMRPTJBNQXADH-CQSZACIVSA-N	-1	1	376.275	2.305	20	5		GEBDMM
Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738569985	600170311	/nfs/dbraw/zinc/17/03/11/600170311.db2.gz	LDEMNVDVONSDGX-LBPRGKRZSA-N	-1	1	382.369	2.189	20	5		GEBDMM
Cc1c(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-]	ZINC000826236641	607443359	/nfs/dbraw/zinc/44/33/59/607443359.db2.gz	VYQLOCQJQQCVNX-UHFFFAOYSA-N	-1	1	384.400	2.216	20	5		GEBDMM
Cc1c(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-]	ZINC000826236641	607443360	/nfs/dbraw/zinc/44/33/60/607443360.db2.gz	VYQLOCQJQQCVNX-UHFFFAOYSA-N	-1	1	384.400	2.216	20	5		GEBDMM
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)cn2)CCO1	ZINC000824991938	607451560	/nfs/dbraw/zinc/45/15/60/607451560.db2.gz	IGRTWSWZQCOPQD-LBPRGKRZSA-N	-1	1	396.411	2.007	20	5		GEBDMM
C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)cn2)CCO1	ZINC000824991938	607451561	/nfs/dbraw/zinc/45/15/61/607451561.db2.gz	IGRTWSWZQCOPQD-LBPRGKRZSA-N	-1	1	396.411	2.007	20	5		GEBDMM
CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(CCC(=O)[O-])s2)cc1OC	ZINC000737194505	600627815	/nfs/dbraw/zinc/62/78/15/600627815.db2.gz	OMHVLBQTZKOVSP-UHFFFAOYSA-N	-1	1	396.381	2.123	20	5		GEBDMM
C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547939707	601224480	/nfs/dbraw/zinc/22/44/80/601224480.db2.gz	RVOCCVIOVVKCQK-HZMBPMFUSA-N	-1	1	382.369	2.474	20	5		GEBDMM
O=C([O-])N1CCC(N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C2CC2)CC1	ZINC000740509020	601913528	/nfs/dbraw/zinc/91/35/28/601913528.db2.gz	XFNHEHUFZXUBCF-UHFFFAOYSA-N	-1	1	386.412	2.418	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NCC2CCCCCCC2)c1-c1nn[n-]n1	ZINC000826500115	607594983	/nfs/dbraw/zinc/59/49/83/607594983.db2.gz	LVAMETORJVNGRA-UHFFFAOYSA-N	-1	1	394.457	2.414	20	5		GEBDMM
C[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NC(=O)[O-]	ZINC000824803951	603109547	/nfs/dbraw/zinc/10/95/47/603109547.db2.gz	UKKHTVMRGIYRER-LURJTMIESA-N	-1	1	386.213	2.226	20	5		GEBDMM
C[C@H]1CCCC[C@@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824936170	607616589	/nfs/dbraw/zinc/61/65/89/607616589.db2.gz	FGHLYJOGHKRXMN-NWDGAFQWSA-N	-1	1	394.457	2.270	20	5		GEBDMM
CC1(C)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000824803032	607645004	/nfs/dbraw/zinc/64/50/04/607645004.db2.gz	RUNCWZPPVJYQLF-UHFFFAOYSA-N	-1	1	380.430	2.022	20	5		GEBDMM
O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000833156875	604600854	/nfs/dbraw/zinc/60/08/54/604600854.db2.gz	PZCQKONJLQADPI-UHFFFAOYSA-N	-1	1	387.348	2.088	20	5		GEBDMM
COc1cc(OC)cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485200728	604631743	/nfs/dbraw/zinc/63/17/43/604631743.db2.gz	BSMWDWRITIUBEM-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000826294765	607715931	/nfs/dbraw/zinc/71/59/31/607715931.db2.gz	BOCGNTOSPCMRRG-UHFFFAOYSA-N	-1	1	397.782	2.495	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000826295049	607718346	/nfs/dbraw/zinc/71/83/46/607718346.db2.gz	OJKJDEFDCRJCSN-UHFFFAOYSA-N	-1	1	397.782	2.495	20	5		GEBDMM
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000833627548	605166092	/nfs/dbraw/zinc/16/60/92/605166092.db2.gz	YJBYZKPBXPOJMZ-JTQLQIEISA-N	-1	1	389.330	2.235	20	5		GEBDMM
Cc1nn(CN2CCC(CCN(C)C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12	ZINC000833920239	605627538	/nfs/dbraw/zinc/62/75/38/605627538.db2.gz	HBKOCYRHWLMLOB-UHFFFAOYSA-N	-1	1	376.417	2.317	20	5		GEBDMM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC)c1	ZINC000833732592	605720316	/nfs/dbraw/zinc/72/03/16/605720316.db2.gz	VBEMSBJGVDDYSW-HNNXBMFYSA-N	-1	1	390.348	2.263	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000820512543	606135577	/nfs/dbraw/zinc/13/55/77/606135577.db2.gz	MBSJCAOOSOJUFI-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000820512543	606135578	/nfs/dbraw/zinc/13/55/78/606135578.db2.gz	MBSJCAOOSOJUFI-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000822213207	606331407	/nfs/dbraw/zinc/33/14/07/606331407.db2.gz	ZAUMQSPBXJSXPV-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
CC(=O)Nc1cccc(OCCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1	ZINC000819827715	606645503	/nfs/dbraw/zinc/64/55/03/606645503.db2.gz	VHPJQRVRELUMJJ-UHFFFAOYSA-N	-1	1	383.368	2.224	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(c2c[nH]c3ncccc23)CC1	ZINC000823620501	606702033	/nfs/dbraw/zinc/70/20/33/606702033.db2.gz	MEYRTVUCUHXCID-UHFFFAOYSA-N	-1	1	391.395	2.430	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2c[nH]c3ncccc23)CC1	ZINC000823620501	606702034	/nfs/dbraw/zinc/70/20/34/606702034.db2.gz	MEYRTVUCUHXCID-UHFFFAOYSA-N	-1	1	391.395	2.430	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccccc2Cl)C1	ZINC000823620802	606709387	/nfs/dbraw/zinc/70/93/87/606709387.db2.gz	QNSPXMMRMAGNMB-CYBMUJFWSA-N	-1	1	387.787	2.401	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccccc2Cl)C1	ZINC000823620802	606709388	/nfs/dbraw/zinc/70/93/88/606709388.db2.gz	QNSPXMMRMAGNMB-CYBMUJFWSA-N	-1	1	387.787	2.401	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](OCCCc2ccccc2)C1	ZINC000823621033	606717541	/nfs/dbraw/zinc/71/75/41/606717541.db2.gz	VSEWRPNYYKULHZ-HNNXBMFYSA-N	-1	1	395.423	2.398	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](OCCCc2ccccc2)C1	ZINC000823621033	606717543	/nfs/dbraw/zinc/71/75/43/606717543.db2.gz	VSEWRPNYYKULHZ-HNNXBMFYSA-N	-1	1	395.423	2.398	20	5		GEBDMM
CC(C)C[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000820069293	606735802	/nfs/dbraw/zinc/73/58/02/606735802.db2.gz	ZHEMVSVMUFNUEP-GFCCVEGCSA-N	-1	1	394.457	2.222	20	5		GEBDMM
CCC[C@@H]1[C@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821034706	606735880	/nfs/dbraw/zinc/73/58/80/606735880.db2.gz	RPNNXLCNRXZHKD-VXGBXAGGSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CCc1nn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000821517250	607144106	/nfs/dbraw/zinc/14/41/06/607144106.db2.gz	IDYFXYZWUGYLGZ-UHFFFAOYSA-N	-1	1	389.803	2.158	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000826467291	608254387	/nfs/dbraw/zinc/25/43/87/608254387.db2.gz	PHLVPBZCSKWWQC-UHFFFAOYSA-N	-1	1	377.320	2.075	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c2cccnc12	ZINC000826467291	608254390	/nfs/dbraw/zinc/25/43/90/608254390.db2.gz	PHLVPBZCSKWWQC-UHFFFAOYSA-N	-1	1	377.320	2.075	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)c1sccc1-c1nn[n-]n1	ZINC000826272460	609163884	/nfs/dbraw/zinc/16/38/84/609163884.db2.gz	KSOIPNMRQPRUMC-UHFFFAOYSA-N	-1	1	375.366	2.381	20	5		GEBDMM
Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-]	ZINC000826269734	609244003	/nfs/dbraw/zinc/24/40/03/609244003.db2.gz	VMDYJBYHLFRKJP-UHFFFAOYSA-N	-1	1	397.395	2.372	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000826295046	609451051	/nfs/dbraw/zinc/45/10/51/609451051.db2.gz	OIPNZOLCTMADEX-UHFFFAOYSA-N	-1	1	397.782	2.495	20	5		GEBDMM
CC1(C)COC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451984686	650161405	/nfs/dbraw/zinc/16/14/05/650161405.db2.gz	VYUCFNHBEYNJGO-LLVKDONJSA-N	-1	1	379.232	2.061	20	5		GEBDMM
COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N(C)C	ZINC000512523804	650550278	/nfs/dbraw/zinc/55/02/78/650550278.db2.gz	NJLPIQILZSOUAD-GFCCVEGCSA-N	-1	1	385.467	2.246	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])n1	ZINC000486846959	650724002	/nfs/dbraw/zinc/72/40/02/650724002.db2.gz	PHSFZVZIVBKXEN-LURJTMIESA-N	-1	1	399.376	2.326	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCOC1	ZINC000038110482	642516674	/nfs/dbraw/zinc/51/66/74/642516674.db2.gz	OIIHATGAPYEKBX-SECBINFHSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000533632511	650763868	/nfs/dbraw/zinc/76/38/68/650763868.db2.gz	ICFVIGSICIBGMW-SNVBAGLBSA-N	-1	1	388.833	2.210	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1S(C)(=O)=O	ZINC000535399568	650787797	/nfs/dbraw/zinc/78/77/97/650787797.db2.gz	VRAGMTIBBKELKQ-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)nc2)s1	ZINC000066000492	642893951	/nfs/dbraw/zinc/89/39/51/642893951.db2.gz	QGWUPXDLAVGPAJ-UHFFFAOYSA-N	-1	1	397.356	2.471	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C	ZINC000096876605	643091764	/nfs/dbraw/zinc/09/17/64/643091764.db2.gz	FDNGEDJOQFHEOD-SNVBAGLBSA-N	-1	1	381.248	2.307	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000102411790	643126688	/nfs/dbraw/zinc/12/66/88/643126688.db2.gz	LQTZLTUYYOTVOF-QWRGUYRKSA-N	-1	1	389.861	2.316	20	5		GEBDMM
O=C(NCCNc1cccc(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000497988952	650845024	/nfs/dbraw/zinc/84/50/24/650845024.db2.gz	OKYTYYMUEIOBSR-UHFFFAOYSA-N	-1	1	381.186	2.300	20	5		GEBDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1C	ZINC000160498138	644202778	/nfs/dbraw/zinc/20/27/78/644202778.db2.gz	SPNSDDUEGCTASZ-UHFFFAOYSA-N	-1	1	375.204	2.498	20	5		GEBDMM
O=C(NCCOc1ccc(Br)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193483920	645277369	/nfs/dbraw/zinc/27/73/69/645277369.db2.gz	VNHLMQHDDQYIOF-UHFFFAOYSA-N	-1	1	382.170	2.267	20	5		GEBDMM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000277635533	646455048	/nfs/dbraw/zinc/45/50/48/646455048.db2.gz	CNFJHMNWHBNCKD-PSASIEDQSA-N	-1	1	379.232	2.061	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000330452678	647337527	/nfs/dbraw/zinc/33/75/27/647337527.db2.gz	VAYCHTQKJGHWAK-QWRGUYRKSA-N	-1	1	389.861	2.316	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F	ZINC000416452195	648128533	/nfs/dbraw/zinc/12/85/33/648128533.db2.gz	BNKHHCKEFFFGFT-SECBINFHSA-N	-1	1	396.265	2.205	20	5		GEBDMM
CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O	ZINC000416542710	648166490	/nfs/dbraw/zinc/16/64/90/648166490.db2.gz	FMNCPEWSSJLQTQ-OCCSQVGLSA-N	-1	1	384.435	2.208	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1	ZINC000416641537	648198129	/nfs/dbraw/zinc/19/81/29/648198129.db2.gz	QRKXTOTUTXGVFY-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCC1(O)CCC1	ZINC000420719627	648444897	/nfs/dbraw/zinc/44/48/97/648444897.db2.gz	QQBYJIKCWHWCIW-UHFFFAOYSA-N	-1	1	393.259	2.331	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](OC)c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000611106593	651707407	/nfs/dbraw/zinc/70/74/07/651707407.db2.gz	JKVAYDIMFXKDPJ-GFCCVEGCSA-N	-1	1	388.833	2.131	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])n1	ZINC000611109006	651707536	/nfs/dbraw/zinc/70/75/36/651707536.db2.gz	YOPWUVBONNNJPI-UHFFFAOYSA-N	-1	1	384.845	2.475	20	5		GEBDMM
CC[C@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000616460661	651901301	/nfs/dbraw/zinc/90/13/01/651901301.db2.gz	CEERXOKYRAYUKI-LBPRGKRZSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1F	ZINC000742295037	651974985	/nfs/dbraw/zinc/97/49/85/651974985.db2.gz	QBUNNNHHPLISBE-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1Cl	ZINC000747409992	652162774	/nfs/dbraw/zinc/16/27/74/652162774.db2.gz	MWRMBPIAFOZWRY-UHFFFAOYSA-N	-1	1	380.773	2.025	20	5		GEBDMM
CC1(O)CCC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000751479946	652355779	/nfs/dbraw/zinc/35/57/79/652355779.db2.gz	QNFGHDBKEHSULJ-UHFFFAOYSA-N	-1	1	393.259	2.329	20	5		GEBDMM
CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751982266	652375205	/nfs/dbraw/zinc/37/52/05/652375205.db2.gz	LQYGZAZOXOGHEH-LLVKDONJSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccccn1	ZINC000757723491	652521307	/nfs/dbraw/zinc/52/13/07/652521307.db2.gz	FWTCTRCAXINXLJ-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000759793580	652586553	/nfs/dbraw/zinc/58/65/53/652586553.db2.gz	JVXAOGKLJNVYGX-VHSXEESVSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COC(=O)[C@H](C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768846655	653131640	/nfs/dbraw/zinc/13/16/40/653131640.db2.gz	MFNZPJPXWKDOCE-QMTHXVAHSA-N	-1	1	384.435	2.485	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1	ZINC000769750638	653175449	/nfs/dbraw/zinc/17/54/49/653175449.db2.gz	FXYUTDHXQKJMKC-CYBMUJFWSA-N	-1	1	384.841	2.378	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCC2)O1	ZINC000773352264	653195375	/nfs/dbraw/zinc/19/53/75/653195375.db2.gz	UXYJGDAERZTLJJ-LLVKDONJSA-N	-1	1	376.818	2.212	20	5		GEBDMM
O=C(OCc1cc(=O)c([O-])co1)c1sc(Br)cc1[N+](=O)[O-]	ZINC000773602135	653207295	/nfs/dbraw/zinc/20/72/95/653207295.db2.gz	FZFKZXRNASZJIW-UHFFFAOYSA-N	-1	1	376.140	2.435	20	5		GEBDMM
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809810995	653297208	/nfs/dbraw/zinc/29/72/08/653297208.db2.gz	AJCNNURWZWUDBV-UHFFFAOYSA-N	-1	1	397.812	2.190	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c(Cl)cc1Cl	ZINC000809816739	653299749	/nfs/dbraw/zinc/29/97/49/653299749.db2.gz	OBAHGZAWORARPC-VIFPVBQESA-N	-1	1	399.252	2.233	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC1(C)OCCO1	ZINC000809820182	653301403	/nfs/dbraw/zinc/30/14/03/653301403.db2.gz	PIGHMYBGDHUWIL-SECBINFHSA-N	-1	1	396.824	2.455	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]2CCO[C@H]21	ZINC000809821889	653301951	/nfs/dbraw/zinc/30/19/51/653301951.db2.gz	VBJZQSUAZZLICS-HAGUPOPPSA-N	-1	1	378.809	2.479	20	5		GEBDMM
Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814986029	653642069	/nfs/dbraw/zinc/64/20/69/653642069.db2.gz	CMTWQEPZQCMUSL-LLVKDONJSA-N	-1	1	388.808	2.477	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nc(C2CC2)no1	ZINC000814993602	653642383	/nfs/dbraw/zinc/64/23/83/653642383.db2.gz	AQFUAJQSHSSRQZ-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)Cc1ccco1	ZINC000815016495	653643959	/nfs/dbraw/zinc/64/39/59/653643959.db2.gz	IWXJSCXMDYYWDQ-SECBINFHSA-N	-1	1	392.792	2.110	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCOC2)C1	ZINC000815029740	653646056	/nfs/dbraw/zinc/64/60/56/653646056.db2.gz	XDEZYMPQDPJWTK-LKFCYVNXSA-N	-1	1	394.808	2.004	20	5		GEBDMM
CON1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000817151947	653704856	/nfs/dbraw/zinc/70/48/56/653704856.db2.gz	HZDBRCVOPZDXDI-UHFFFAOYSA-N	-1	1	384.241	2.206	20	5		GEBDMM
COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1	ZINC000817153551	653705040	/nfs/dbraw/zinc/70/50/40/653705040.db2.gz	FUIYHKXWNNNLCW-VIFPVBQESA-N	-1	1	396.824	2.250	20	5		GEBDMM
CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841531384	653728400	/nfs/dbraw/zinc/72/84/00/653728400.db2.gz	LZYDMSALHCEAJE-UHFFFAOYSA-N	-1	1	384.241	2.095	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)O1	ZINC000841561850	653734326	/nfs/dbraw/zinc/73/43/26/653734326.db2.gz	YYRTXKFLMCYBER-OPRDCNLKSA-N	-1	1	393.259	2.449	20	5		GEBDMM
CCn1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1	ZINC000819890568	653760174	/nfs/dbraw/zinc/76/01/74/653760174.db2.gz	IVZXMNBUBVGBQN-UHFFFAOYSA-N	-1	1	394.240	2.300	20	5		GEBDMM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1	ZINC000820555576	653776746	/nfs/dbraw/zinc/77/67/46/653776746.db2.gz	MZINTAGNTCAWAT-ZETCQYMHSA-N	-1	1	377.411	2.351	20	5		GEBDMM
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1	ZINC000820555576	653776748	/nfs/dbraw/zinc/77/67/48/653776748.db2.gz	MZINTAGNTCAWAT-ZETCQYMHSA-N	-1	1	377.411	2.351	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCn2cccn2)c(Cl)cc1Cl	ZINC000791420760	653813373	/nfs/dbraw/zinc/81/33/73/653813373.db2.gz	QXPBCRULWJBIBE-UHFFFAOYSA-N	-1	1	379.225	2.467	20	5		GEBDMM
O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000823379702	653866227	/nfs/dbraw/zinc/86/62/27/653866227.db2.gz	DVYDULGEHOWRAG-UHFFFAOYSA-N	-1	1	396.186	2.246	20	5		GEBDMM
O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)c([N+](=O)[O-])c1	ZINC000823379702	653866229	/nfs/dbraw/zinc/86/62/29/653866229.db2.gz	DVYDULGEHOWRAG-UHFFFAOYSA-N	-1	1	396.186	2.246	20	5		GEBDMM
C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000846011529	653880246	/nfs/dbraw/zinc/88/02/46/653880246.db2.gz	ZSZPWTHQKNHARZ-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cc1c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)cnn1C	ZINC000794028782	653892676	/nfs/dbraw/zinc/89/26/76/653892676.db2.gz	KXVMDKKVLZZWHD-UHFFFAOYSA-N	-1	1	375.204	2.200	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000795203817	653938948	/nfs/dbraw/zinc/93/89/48/653938948.db2.gz	XJLDRZICQRMBQM-VIFPVBQESA-N	-1	1	393.849	2.440	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)CC1CCC1	ZINC000795277600	653942229	/nfs/dbraw/zinc/94/22/29/653942229.db2.gz	DUBDSLWVNBYFFV-NSHDSACASA-N	-1	1	393.259	2.187	20	5		GEBDMM
CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795939809	653978842	/nfs/dbraw/zinc/97/88/42/653978842.db2.gz	KVLRZQDCSFUXOV-ZETCQYMHSA-N	-1	1	385.211	2.200	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC000848475989	653980277	/nfs/dbraw/zinc/98/02/77/653980277.db2.gz	VETAOGFPEIMPCD-SDDRHHMPSA-N	-1	1	391.877	2.024	20	5		GEBDMM
COC(=O)N1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000796171186	653989355	/nfs/dbraw/zinc/98/93/55/653989355.db2.gz	XFRNZAGSZOFEGF-UHFFFAOYSA-N	-1	1	391.833	2.005	20	5		GEBDMM
C[S@@](=O)Cc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1	ZINC000796241851	653993796	/nfs/dbraw/zinc/99/37/96/653993796.db2.gz	XYESOFBCWOBLQV-XMMPIXPASA-N	-1	1	386.426	2.091	20	5		GEBDMM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CO1	ZINC000849412673	654026912	/nfs/dbraw/zinc/02/69/12/654026912.db2.gz	VKLOJFKDSKVCFN-SSDOTTSWSA-N	-1	1	397.222	2.342	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCOC1	ZINC000849415178	654027603	/nfs/dbraw/zinc/02/76/03/654027603.db2.gz	YCCHHNNIYPGZKB-KCJUWKMLSA-N	-1	1	399.252	2.231	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCOCC1	ZINC000849419791	654029189	/nfs/dbraw/zinc/02/91/89/654029189.db2.gz	PAFSWXXBPQHJOY-LBPRGKRZSA-N	-1	1	396.824	2.107	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c(Cl)cc1Cl	ZINC000849471065	654044242	/nfs/dbraw/zinc/04/42/42/654044242.db2.gz	KGHWSTWDJFLKKD-VXGBXAGGSA-N	-1	1	381.237	2.483	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Cn1cccn1	ZINC000798225647	654054862	/nfs/dbraw/zinc/05/48/62/654054862.db2.gz	FMAJFEPWRADZMK-SECBINFHSA-N	-1	1	376.797	2.198	20	5		GEBDMM
CN(C)c1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000798225634	654054996	/nfs/dbraw/zinc/05/49/96/654054996.db2.gz	DYGFBDDYUOUPHF-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC23OCCO3)c1Cl	ZINC000851816332	654181926	/nfs/dbraw/zinc/18/19/26/654181926.db2.gz	ZSFVLZWWUWHYSR-JTQLQIEISA-N	-1	1	397.236	2.476	20	5		GEBDMM
CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O	ZINC000851829030	654185704	/nfs/dbraw/zinc/18/57/04/654185704.db2.gz	VDJPXSSIOCXBQS-SNVBAGLBSA-N	-1	1	389.861	2.174	20	5		GEBDMM
C[C@@H](CN(C)C(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000851874531	654196774	/nfs/dbraw/zinc/19/67/74/654196774.db2.gz	HLUANEJFBDBCMS-VIFPVBQESA-N	-1	1	379.460	2.190	20	5		GEBDMM
CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000831834802	654212921	/nfs/dbraw/zinc/21/29/21/654212921.db2.gz	KYWIPYOPUGZSOO-UHFFFAOYSA-N	-1	1	377.785	2.107	20	5		GEBDMM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000832455562	654267583	/nfs/dbraw/zinc/26/75/83/654267583.db2.gz	LVJGXHQQDCYWGT-KCJUWKMLSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1COC[C@H]1C1CC1	ZINC000908408477	654627222	/nfs/dbraw/zinc/62/72/22/654627222.db2.gz	HRUBVAZJGLZQSM-QWRGUYRKSA-N	-1	1	391.243	2.061	20	5		GEBDMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000122515182	532072713	/nfs/dbraw/zinc/07/27/13/532072713.db2.gz	YCDALNBPFDKUAK-JTQLQIEISA-N	-1	1	381.248	2.043	20	5		GEBDMM
Cc1sc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000125702143	532140874	/nfs/dbraw/zinc/14/08/74/532140874.db2.gz	JPEMFSOJYMUZPI-UHFFFAOYSA-N	-1	1	384.361	2.196	20	5		GEBDMM
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1	ZINC000133389340	532234002	/nfs/dbraw/zinc/23/40/02/532234002.db2.gz	YHWLWPYFZHEWSE-VIFPVBQESA-N	-1	1	382.833	2.260	20	5		GEBDMM
C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000182475588	532313590	/nfs/dbraw/zinc/31/35/90/532313590.db2.gz	ZEEKIIPIPWAYPU-SECBINFHSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO	ZINC000188906355	532350106	/nfs/dbraw/zinc/35/01/06/532350106.db2.gz	DTKQKGJLINKRNW-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000464187608	532392021	/nfs/dbraw/zinc/39/20/21/532392021.db2.gz	SNSYPAAQKBOXHN-UHFFFAOYSA-N	-1	1	384.797	2.418	20	5		GEBDMM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000295324280	532434127	/nfs/dbraw/zinc/43/41/27/532434127.db2.gz	PWCLHGGQMWFKEF-QMMMGPOBSA-N	-1	1	399.238	2.183	20	5		GEBDMM
CSC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295529682	532456483	/nfs/dbraw/zinc/45/64/83/532456483.db2.gz	IWUBMCRVUYODSO-LLVKDONJSA-N	-1	1	389.282	2.294	20	5		GEBDMM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000295692514	532469011	/nfs/dbraw/zinc/46/90/11/532469011.db2.gz	JIUUOLFCFZTEDY-MRVPVSSYSA-N	-1	1	399.238	2.326	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCC2(O)CCOCC2)c1Cl	ZINC000295844300	532481067	/nfs/dbraw/zinc/48/10/67/532481067.db2.gz	DFXYUBIBDVUSTD-UHFFFAOYSA-N	-1	1	399.252	2.112	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)c1nccs1	ZINC000468799819	532476206	/nfs/dbraw/zinc/47/62/06/532476206.db2.gz	BSUQEODOWIVLJF-NSHDSACASA-N	-1	1	385.423	2.268	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000296193429	532503954	/nfs/dbraw/zinc/50/39/54/532503954.db2.gz	LTFCJFOJXZPESD-GXSJLCMTSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1	ZINC000594866321	532538422	/nfs/dbraw/zinc/53/84/22/532538422.db2.gz	VHZHFAINAUTFTR-JTQLQIEISA-N	-1	1	393.259	2.044	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2nc[nH]n2)c2ccccc2)s1	ZINC000375179178	532539829	/nfs/dbraw/zinc/53/98/29/532539829.db2.gz	WNOKFRTVKBITGT-LBPRGKRZSA-N	-1	1	379.423	2.379	20	5		GEBDMM
CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1=O	ZINC000296937776	532554665	/nfs/dbraw/zinc/55/46/65/532554665.db2.gz	XIVJTEQFNZMGDQ-VIFPVBQESA-N	-1	1	396.252	2.189	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1	ZINC000434758313	532602067	/nfs/dbraw/zinc/60/20/67/532602067.db2.gz	SKRFTAIIDJGENV-LLVKDONJSA-N	-1	1	388.398	2.031	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000599477480	532662275	/nfs/dbraw/zinc/66/22/75/532662275.db2.gz	WZTGPZRXVZXDKR-UHFFFAOYSA-N	-1	1	389.861	2.175	20	5		GEBDMM
CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(Br)c1C)c1nn[n-]n1	ZINC000285251587	532663794	/nfs/dbraw/zinc/66/37/94/532663794.db2.gz	LOOBCSHNVKTVEC-NSHDSACASA-N	-1	1	383.206	2.450	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c([N+](=O)[O-])n1	ZINC000532854049	532658123	/nfs/dbraw/zinc/65/81/23/532658123.db2.gz	RTUYJKZZTIRZTF-UHFFFAOYSA-N	-1	1	382.467	2.414	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000532855428	532658168	/nfs/dbraw/zinc/65/81/68/532658168.db2.gz	QSDGOMZULSJZAE-VHSXEESVSA-N	-1	1	384.380	2.458	20	5		GEBDMM
Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000599316293	532658390	/nfs/dbraw/zinc/65/83/90/532658390.db2.gz	FOYSZFIIMAJLOI-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000443222730	532743619	/nfs/dbraw/zinc/74/36/19/532743619.db2.gz	FFSXUXIUZYSOPF-ZWNOBZJWSA-N	-1	1	392.405	2.172	20	5		GEBDMM
Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1	ZINC000267516782	532743946	/nfs/dbraw/zinc/74/39/46/532743946.db2.gz	KPGMSSYRVFXNGQ-SECBINFHSA-N	-1	1	385.423	2.170	20	5		GEBDMM
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]C1(C(F)F)CCCC1)OCCO2	ZINC000588906012	532772764	/nfs/dbraw/zinc/77/27/64/532772764.db2.gz	BIFKQIMEYLWESF-UHFFFAOYSA-N	-1	1	378.353	2.222	20	5		GEBDMM
CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000290717441	532887563	/nfs/dbraw/zinc/88/75/63/532887563.db2.gz	JZFRMQZGJKZFIY-JOCHJYFZSA-N	-1	1	386.854	2.213	20	5		GEBDMM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C	ZINC000821487802	607254774	/nfs/dbraw/zinc/25/47/74/607254774.db2.gz	XVRUMJLXCUYHOH-UHFFFAOYSA-N	-1	1	388.409	2.447	20	5		GEBDMM
O=[N+]([O-])c1cc(N2CCC(OC[C@@H]3CCCCO3)CC2)ccc1-c1nn[n-]n1	ZINC000823634682	607348271	/nfs/dbraw/zinc/34/82/71/607348271.db2.gz	JWMSMXZPLJTNCZ-HNNXBMFYSA-N	-1	1	388.428	2.329	20	5		GEBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000737218550	598593889	/nfs/dbraw/zinc/59/38/89/598593889.db2.gz	LQFYSNQCEBOCKK-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
COc1cc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c([N+](=O)[O-])cc1OC	ZINC000737849614	600540342	/nfs/dbraw/zinc/54/03/42/600540342.db2.gz	OEFSWAGDHPGOIK-UHFFFAOYSA-N	-1	1	396.381	2.123	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832958750	600689833	/nfs/dbraw/zinc/68/98/33/600689833.db2.gz	RKCHRRDYSPGOLS-UHFFFAOYSA-N	-1	1	381.322	2.310	20	5		GEBDMM
COC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831328750	600690771	/nfs/dbraw/zinc/69/07/71/600690771.db2.gz	XMQIGTJGBIPOJU-UHFFFAOYSA-N	-1	1	398.324	2.020	20	5		GEBDMM
Cc1ccc2nc(CNc3ccc(C(=O)NCC(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	ZINC000832959030	600805004	/nfs/dbraw/zinc/80/50/04/600805004.db2.gz	OXCJBHNYFIHLSN-UHFFFAOYSA-N	-1	1	383.364	2.206	20	5		GEBDMM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000833169138	601388873	/nfs/dbraw/zinc/38/88/73/601388873.db2.gz	GMSBROCNXFUXOO-GFCCVEGCSA-N	-1	1	388.760	2.492	20	5		GEBDMM
CCN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825395821	607573479	/nfs/dbraw/zinc/57/34/79/607573479.db2.gz	WOWVOSYKXXTJBZ-UHFFFAOYSA-N	-1	1	380.430	2.118	20	5		GEBDMM
CCCC[C@@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825259617	607583197	/nfs/dbraw/zinc/58/31/97/607583197.db2.gz	JWCSNNIOFNLSHU-LLVKDONJSA-N	-1	1	382.446	2.270	20	5		GEBDMM
Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)s1	ZINC000826283232	607596472	/nfs/dbraw/zinc/59/64/72/607596472.db2.gz	NBBLENFOVUOBOW-SECBINFHSA-N	-1	1	394.438	2.184	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1Cl	ZINC000826499420	607599900	/nfs/dbraw/zinc/59/99/00/607599900.db2.gz	ICADIJWMOIPWME-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1Cl	ZINC000826499420	607599902	/nfs/dbraw/zinc/59/99/02/607599902.db2.gz	ICADIJWMOIPWME-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824216194	607607718	/nfs/dbraw/zinc/60/77/18/607607718.db2.gz	OVTLIQUYGUTWOH-NWDGAFQWSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000825192822	607642172	/nfs/dbraw/zinc/64/21/72/607642172.db2.gz	JDIQZAQFMWPYLA-WDEREUQCSA-N	-1	1	380.430	2.022	20	5		GEBDMM
CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCCCC1	ZINC000824823234	607669117	/nfs/dbraw/zinc/66/91/17/607669117.db2.gz	KPDMDIRTLRDQLJ-UHFFFAOYSA-N	-1	1	380.430	2.024	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000824453084	605374416	/nfs/dbraw/zinc/37/44/16/605374416.db2.gz	HFGDXCQJOSPSSM-RYUDHWBXSA-N	-1	1	379.417	2.436	20	5		GEBDMM
O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000823123076	606297160	/nfs/dbraw/zinc/29/71/60/606297160.db2.gz	MUBJSTIPNWAKQA-UHFFFAOYSA-N	-1	1	379.336	2.074	20	5		GEBDMM
COC(=O)c1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)ccc1OC	ZINC000821666733	606644837	/nfs/dbraw/zinc/64/48/37/606644837.db2.gz	BMGJUQNBXMGRSC-UHFFFAOYSA-N	-1	1	384.352	2.182	20	5		GEBDMM
O=C(NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)c1ccccc1	ZINC000823154513	606645339	/nfs/dbraw/zinc/64/53/39/606645339.db2.gz	DQWIYEIGQHOVPQ-UHFFFAOYSA-N	-1	1	393.407	2.174	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-n2ccnc2)c(F)c1	ZINC000823624554	606701710	/nfs/dbraw/zinc/70/17/10/606701710.db2.gz	CJLKVCYHPYNGBJ-UHFFFAOYSA-N	-1	1	381.331	2.107	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-n2ccnc2)c(F)c1	ZINC000823624554	606701711	/nfs/dbraw/zinc/70/17/11/606701711.db2.gz	CJLKVCYHPYNGBJ-UHFFFAOYSA-N	-1	1	381.331	2.107	20	5		GEBDMM
C[C@@H](CCc1ccc2c(c1)OCO2)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000820254634	606702810	/nfs/dbraw/zinc/70/28/10/606702810.db2.gz	SLGOSYZVUPFUHX-JTQLQIEISA-N	-1	1	383.368	2.332	20	5		GEBDMM
C[C@@H](CCc1ccc2c(c1)OCO2)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000820254634	606702811	/nfs/dbraw/zinc/70/28/11/606702811.db2.gz	SLGOSYZVUPFUHX-JTQLQIEISA-N	-1	1	383.368	2.332	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(OCC(F)F)c1	ZINC000823624902	606707493	/nfs/dbraw/zinc/70/74/93/606707493.db2.gz	JVGVEBPAWOVBNJ-UHFFFAOYSA-N	-1	1	377.311	2.426	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(OCC(F)F)c1	ZINC000823624902	606707495	/nfs/dbraw/zinc/70/74/95/606707495.db2.gz	JVGVEBPAWOVBNJ-UHFFFAOYSA-N	-1	1	377.311	2.426	20	5		GEBDMM
C[C@@H]1CN(c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)CCO1	ZINC000820774539	606710424	/nfs/dbraw/zinc/71/04/24/606710424.db2.gz	FLWRRUFBWYEFSE-LLVKDONJSA-N	-1	1	382.384	2.139	20	5		GEBDMM
C[C@@H]1CN(c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)CCO1	ZINC000820774539	606710425	/nfs/dbraw/zinc/71/04/25/606710425.db2.gz	FLWRRUFBWYEFSE-LLVKDONJSA-N	-1	1	382.384	2.139	20	5		GEBDMM
CC(C)(C)OC(=O)CCCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000819928013	606713130	/nfs/dbraw/zinc/71/31/30/606713130.db2.gz	GEPFXOFJHMIFQT-UHFFFAOYSA-N	-1	1	377.405	2.484	20	5		GEBDMM
CC(C)(C)OC(=O)CCCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000819928013	606713132	/nfs/dbraw/zinc/71/31/32/606713132.db2.gz	GEPFXOFJHMIFQT-UHFFFAOYSA-N	-1	1	377.405	2.484	20	5		GEBDMM
CC[C@@](C)(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1OCCO1	ZINC000820854698	606713529	/nfs/dbraw/zinc/71/35/29/606713529.db2.gz	XTKDKRPCMITBGR-INIZCTEOSA-N	-1	1	377.405	2.151	20	5		GEBDMM
CC[C@@](C)(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1OCCO1	ZINC000820854698	606713531	/nfs/dbraw/zinc/71/35/31/606713531.db2.gz	XTKDKRPCMITBGR-INIZCTEOSA-N	-1	1	377.405	2.151	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)c1-c1nn[n-]n1	ZINC000823646882	606733600	/nfs/dbraw/zinc/73/36/00/606733600.db2.gz	CCDCCJDYDLGVFT-GFCCVEGCSA-N	-1	1	392.441	2.118	20	5		GEBDMM
CC(C)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000820039048	606733732	/nfs/dbraw/zinc/73/37/32/606733732.db2.gz	UONFPOMIOVHJFP-GFCCVEGCSA-N	-1	1	394.457	2.222	20	5		GEBDMM
CC[C@H](C)[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820860253	606734257	/nfs/dbraw/zinc/73/42/57/606734257.db2.gz	IOHLACPZSBWPEE-RYUDHWBXSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2[nH]c3ccc(F)cc3c2C1	ZINC000823620716	607167709	/nfs/dbraw/zinc/16/77/09/607167709.db2.gz	OVIUXIINHBBOOV-UHFFFAOYSA-N	-1	1	380.343	2.353	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2[nH]c3ccc(F)cc3c2C1	ZINC000823620716	607167710	/nfs/dbraw/zinc/16/77/10/607167710.db2.gz	OVIUXIINHBBOOV-UHFFFAOYSA-N	-1	1	380.343	2.353	20	5		GEBDMM
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1	ZINC000826327848	607929652	/nfs/dbraw/zinc/92/96/52/607929652.db2.gz	WLJVXQSNNYTPBT-UHFFFAOYSA-N	-1	1	390.429	2.278	20	5		GEBDMM
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1	ZINC000826327848	607929653	/nfs/dbraw/zinc/92/96/53/607929653.db2.gz	WLJVXQSNNYTPBT-UHFFFAOYSA-N	-1	1	390.429	2.278	20	5		GEBDMM
O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccccc1[N+](=O)[O-]	ZINC000826459030	609288285	/nfs/dbraw/zinc/28/82/85/609288285.db2.gz	RQCXKXYXINPUIY-UHFFFAOYSA-N	-1	1	394.326	2.352	20	5		GEBDMM
O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000826451176	609416959	/nfs/dbraw/zinc/41/69/59/609416959.db2.gz	UAVILAWHAUHJSK-UHFFFAOYSA-N	-1	1	392.278	2.334	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC[C@H]1CCOC1	ZINC000452014164	650166059	/nfs/dbraw/zinc/16/60/59/650166059.db2.gz	IDLHAZUJOQQPEQ-JTQLQIEISA-N	-1	1	393.259	2.452	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC(C)C	ZINC000462500265	650481944	/nfs/dbraw/zinc/48/19/44/650481944.db2.gz	JZBRQZKTDUZZGE-JTQLQIEISA-N	-1	1	378.834	2.362	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)s1	ZINC000525699556	650656403	/nfs/dbraw/zinc/65/64/03/650656403.db2.gz	CUFOIMUVTQHRSO-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1	ZINC000066327673	642909055	/nfs/dbraw/zinc/90/90/55/642909055.db2.gz	BOKYGUXACILANV-GFCCVEGCSA-N	-1	1	381.479	2.381	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C	ZINC000102411788	643125871	/nfs/dbraw/zinc/12/58/71/643125871.db2.gz	LQTZLTUYYOTVOF-WDEREUQCSA-N	-1	1	389.861	2.316	20	5		GEBDMM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NN=c1c(F)c(F)[n-]c(F)c1F	ZINC000105386773	643204725	/nfs/dbraw/zinc/20/47/25/643204725.db2.gz	SKMUIKDVVFYIAU-UHFFFAOYSA-N	-1	1	380.279	2.160	20	5		GEBDMM
CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000119113572	643537178	/nfs/dbraw/zinc/53/71/78/643537178.db2.gz	WHOBKLVPUCHUNL-GFCCVEGCSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nn1	ZINC000119997912	643584213	/nfs/dbraw/zinc/58/42/13/643584213.db2.gz	HFSYJSYPIIOHCL-JTQLQIEISA-N	-1	1	379.423	2.277	20	5		GEBDMM
Cc1ocnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000128765121	643810524	/nfs/dbraw/zinc/81/05/24/643810524.db2.gz	AQQYEVOAWZPXMM-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)on1	ZINC000195318429	645371432	/nfs/dbraw/zinc/37/14/32/645371432.db2.gz	YTBNARDZAQYULZ-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000270577972	646121374	/nfs/dbraw/zinc/12/13/74/646121374.db2.gz	VVNSHTUQUPVFEI-SECBINFHSA-N	-1	1	396.265	2.205	20	5		GEBDMM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000277736873	646468264	/nfs/dbraw/zinc/46/82/64/646468264.db2.gz	JZJDZNYQOFPRIP-PSASIEDQSA-N	-1	1	379.232	2.061	20	5		GEBDMM
Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C2	ZINC000377853240	647869255	/nfs/dbraw/zinc/86/92/55/647869255.db2.gz	YGPAEAIZPGJCKR-SECBINFHSA-N	-1	1	388.808	2.186	20	5		GEBDMM
COC1([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1	ZINC000420760518	648452342	/nfs/dbraw/zinc/45/23/42/648452342.db2.gz	JRKYLSNNTYMMBE-SNVBAGLBSA-N	-1	1	378.834	2.111	20	5		GEBDMM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc([N+](=O)[O-])c1C	ZINC000424217175	648620008	/nfs/dbraw/zinc/62/00/08/648620008.db2.gz	YXQGOTIFDQARJY-MRVPVSSYSA-N	-1	1	384.332	2.309	20	5		GEBDMM
CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc([N+](=O)[O-])c1C	ZINC000424217176	648620079	/nfs/dbraw/zinc/62/00/79/648620079.db2.gz	YXQGOTIFDQARJY-QMMMGPOBSA-N	-1	1	384.332	2.309	20	5		GEBDMM
O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000556773263	651251731	/nfs/dbraw/zinc/25/17/31/651251731.db2.gz	QSXKRJXTZQRMOK-ZCFIWIBFSA-N	-1	1	390.723	2.180	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2Cl)s1	ZINC000561573496	651481158	/nfs/dbraw/zinc/48/11/58/651481158.db2.gz	ASMOANCYDADQHK-SECBINFHSA-N	-1	1	376.843	2.364	20	5		GEBDMM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000565646741	651595336	/nfs/dbraw/zinc/59/53/36/651595336.db2.gz	DJOXMBSUFBGNHF-VIFPVBQESA-N	-1	1	395.217	2.199	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000609616039	651627485	/nfs/dbraw/zinc/62/74/85/651627485.db2.gz	ZRTZJCHIYRQVEW-AWEZNQCLSA-N	-1	1	389.861	2.174	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)no1	ZINC000610338309	651656988	/nfs/dbraw/zinc/65/69/88/651656988.db2.gz	TXDXWLJVVJWNTQ-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1	ZINC000611022233	651701037	/nfs/dbraw/zinc/70/10/37/651701037.db2.gz	PDWLDSAWZMNMAS-UHFFFAOYSA-N	-1	1	382.825	2.056	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])n1	ZINC000611104661	651706935	/nfs/dbraw/zinc/70/69/35/651706935.db2.gz	BZIMZQQZUFZOFE-UHFFFAOYSA-N	-1	1	378.332	2.309	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@H]1CCOC1	ZINC000612165634	651747630	/nfs/dbraw/zinc/74/76/30/651747630.db2.gz	OIGHWUSTDXHHGL-VIFPVBQESA-N	-1	1	379.232	2.062	20	5		GEBDMM
CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C	ZINC000734503548	651748184	/nfs/dbraw/zinc/74/81/84/651748184.db2.gz	RSGOUEROTFKLTC-SNVBAGLBSA-N	-1	1	393.487	2.484	20	5		GEBDMM
C[S@](=O)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000735075354	651764489	/nfs/dbraw/zinc/76/44/89/651764489.db2.gz	SPZKIXUBKWJHAT-DEOSSOPVSA-N	-1	1	383.451	2.186	20	5		GEBDMM
C[S@@](=O)CCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000735075355	651764646	/nfs/dbraw/zinc/76/46/46/651764646.db2.gz	SPZKIXUBKWJHAT-XMMPIXPASA-N	-1	1	383.451	2.186	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1n[nH]cc1Br	ZINC000738377247	651894287	/nfs/dbraw/zinc/89/42/87/651894287.db2.gz	KNAGRAGYDTXIIR-UHFFFAOYSA-N	-1	1	395.622	2.212	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1noc(-c2cccs2)n1	ZINC000745178607	652070705	/nfs/dbraw/zinc/07/07/05/652070705.db2.gz	DZUXIQACUUFEDZ-UHFFFAOYSA-N	-1	1	384.370	2.324	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCC12OCCO2	ZINC000746471133	652108979	/nfs/dbraw/zinc/10/89/79/652108979.db2.gz	FDCVIITVBMZMLO-ZDUSSCGKSA-N	-1	1	376.818	2.212	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCCC12OCCO2	ZINC000746471145	652109694	/nfs/dbraw/zinc/10/96/94/652109694.db2.gz	FHZDSEWUNOMOTF-ZDUSSCGKSA-N	-1	1	376.818	2.212	20	5		GEBDMM
C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C	ZINC000749911451	652272656	/nfs/dbraw/zinc/27/26/56/652272656.db2.gz	DHOLSZGJTAJJES-VIFPVBQESA-N	-1	1	379.460	2.238	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cn1	ZINC000774931354	653270130	/nfs/dbraw/zinc/27/01/30/653270130.db2.gz	ZFAXDUWWGHADKW-UHFFFAOYSA-N	-1	1	377.300	2.209	20	5		GEBDMM
CNC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCC1	ZINC000809813926	653298679	/nfs/dbraw/zinc/29/86/79/653298679.db2.gz	VEZHJEPRRQNWGC-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809823608	653302226	/nfs/dbraw/zinc/30/22/26/653302226.db2.gz	QEHVJSDFNXXFKF-ZDUSSCGKSA-N	-1	1	382.797	2.397	20	5		GEBDMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000809825661	653303389	/nfs/dbraw/zinc/30/33/89/653303389.db2.gz	RAMCGXHVNHEURP-JTQLQIEISA-N	-1	1	380.781	2.007	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)c2ccsc2)cc1Cl	ZINC000809832055	653306081	/nfs/dbraw/zinc/30/60/81/653306081.db2.gz	KTJRAHOVLHYUDM-SNVBAGLBSA-N	-1	1	380.806	2.461	20	5		GEBDMM
CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831229	653306263	/nfs/dbraw/zinc/30/62/63/653306263.db2.gz	BMQBYLCSUTVEOA-JGVFFNPUSA-N	-1	1	382.797	2.253	20	5		GEBDMM
COCCOCc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000812514800	653431958	/nfs/dbraw/zinc/43/19/58/653431958.db2.gz	JNDYBNZRUBLCDI-UHFFFAOYSA-N	-1	1	386.451	2.298	20	5		GEBDMM
CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000859317833	653440599	/nfs/dbraw/zinc/44/05/99/653440599.db2.gz	XUKKPIDZKQRANG-VIFPVBQESA-N	-1	1	392.792	2.318	20	5		GEBDMM
CCOC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1	ZINC000859317832	653440713	/nfs/dbraw/zinc/44/07/13/653440713.db2.gz	XUKKPIDZKQRANG-SECBINFHSA-N	-1	1	392.792	2.318	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1	ZINC000859368008	653451701	/nfs/dbraw/zinc/45/17/01/653451701.db2.gz	QTXULIXXXMJOQO-PWSUYJOCSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CCNC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C	ZINC000814405090	653630603	/nfs/dbraw/zinc/63/06/03/653630603.db2.gz	UOBFUYWZTZGOHB-LBPRGKRZSA-N	-1	1	398.268	2.341	20	5		GEBDMM
CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000814985637	653642153	/nfs/dbraw/zinc/64/21/53/653642153.db2.gz	MZEJEHVCYPNEOV-ZDUSSCGKSA-N	-1	1	382.797	2.397	20	5		GEBDMM
Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1	ZINC000815018928	653644205	/nfs/dbraw/zinc/64/42/05/653644205.db2.gz	BGJQJLTVUFIRDU-NSHDSACASA-N	-1	1	378.765	2.301	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1O	ZINC000815028194	653645635	/nfs/dbraw/zinc/64/56/35/653645635.db2.gz	SZVXBTPIKGNAMI-ZFWWWQNUSA-N	-1	1	386.788	2.324	20	5		GEBDMM
CC1=CCN(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815034410	653646590	/nfs/dbraw/zinc/64/65/90/653646590.db2.gz	NQCGKPJQJJFQQS-UHFFFAOYSA-N	-1	1	377.825	2.318	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c1	ZINC000783840845	653685638	/nfs/dbraw/zinc/68/56/38/653685638.db2.gz	OUADNTNUPVQOLO-UHFFFAOYSA-N	-1	1	387.761	2.165	20	5		GEBDMM
COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000841564930	653734840	/nfs/dbraw/zinc/73/48/40/653734840.db2.gz	YYGNNMZMWGQIST-KNVOCYPGSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CN1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1=O	ZINC000819895069	653760771	/nfs/dbraw/zinc/76/07/71/653760771.db2.gz	HFCGQVPWZOHWCO-QMMMGPOBSA-N	-1	1	396.252	2.048	20	5		GEBDMM
O=C(c1cccc([N+](=O)[O-])c1Br)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000820069431	653766212	/nfs/dbraw/zinc/76/62/12/653766212.db2.gz	YLNBQWLVHPPSLL-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1	ZINC000791411752	653812692	/nfs/dbraw/zinc/81/26/92/653812692.db2.gz	BGKYUSGROKJFFL-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc2cncn2c1	ZINC000793123088	653867354	/nfs/dbraw/zinc/86/73/54/653867354.db2.gz	BPMLZVGCIWZVLQ-UHFFFAOYSA-N	-1	1	380.769	2.015	20	5		GEBDMM
COC(=O)[C@@H](CCF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000845977889	653875874	/nfs/dbraw/zinc/87/58/74/653875874.db2.gz	ZVVQHQSSFGCQOU-MRVPVSSYSA-N	-1	1	389.188	2.081	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC1CC1	ZINC000845991364	653877988	/nfs/dbraw/zinc/87/79/88/653877988.db2.gz	HBFASPADUXHVIM-SECBINFHSA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c(Cl)cc1Cl	ZINC000846026847	653882724	/nfs/dbraw/zinc/88/27/24/653882724.db2.gz	HFGPIPFJPRUSMT-CYBMUJFWSA-N	-1	1	399.252	2.112	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccc[nH]1	ZINC000795868908	653973081	/nfs/dbraw/zinc/97/30/81/653973081.db2.gz	UQUKMBWTSGEPRF-UHFFFAOYSA-N	-1	1	378.179	2.303	20	5		GEBDMM
CC(C)(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795927922	653978180	/nfs/dbraw/zinc/97/81/80/653978180.db2.gz	QWEIVYVTWAQRNV-UHFFFAOYSA-N	-1	1	397.222	2.390	20	5		GEBDMM
COCC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831592978	654193094	/nfs/dbraw/zinc/19/30/94/654193094.db2.gz	GSMIVKVCLKOXAZ-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN2CCSC[C@H]12	ZINC000921323592	654248412	/nfs/dbraw/zinc/24/84/12/654248412.db2.gz	KVEOZERTKBDIJS-WCQYABFASA-N	-1	1	391.902	2.106	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2	ZINC000921606264	654291999	/nfs/dbraw/zinc/29/19/99/654291999.db2.gz	AFIOVAPVUYNRFI-AEJSXWLSSA-N	-1	1	376.793	2.257	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(Cl)cc1Cl	ZINC000907762466	654575904	/nfs/dbraw/zinc/57/59/04/654575904.db2.gz	GOBNUIZEYZCPCT-FJFKVTNMSA-N	-1	1	379.221	2.356	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl	ZINC000055583357	531796418	/nfs/dbraw/zinc/79/64/18/531796418.db2.gz	GCOYNVYCSTUZNW-UHFFFAOYSA-N	-1	1	385.785	2.157	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1nccs1	ZINC000171419631	531906584	/nfs/dbraw/zinc/90/65/84/531906584.db2.gz	SXAGCEBJIFAJBO-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000175647486	532110008	/nfs/dbraw/zinc/11/00/08/532110008.db2.gz	PIUPVPGIUPFGDJ-LYSPQLLHSA-N	-1	1	378.447	2.092	20	5		GEBDMM
Cc1sc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000125519272	532137280	/nfs/dbraw/zinc/13/72/80/532137280.db2.gz	QPBFFIZFJJFZSD-TXEJJXNPSA-N	-1	1	391.515	2.132	20	5		GEBDMM
CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000128763743	532167563	/nfs/dbraw/zinc/16/75/63/532167563.db2.gz	PIZHMEOXSLSYRK-SNVBAGLBSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178775411	532212447	/nfs/dbraw/zinc/21/24/47/532212447.db2.gz	OKSPVFZIZBALPD-JTQLQIEISA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CO	ZINC000178915644	532217411	/nfs/dbraw/zinc/21/74/11/532217411.db2.gz	GWZYEKSPPBIYQB-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CO	ZINC000178915674	532217955	/nfs/dbraw/zinc/21/79/55/532217955.db2.gz	GWZYEKSPPBIYQB-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=C(NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccs1	ZINC000146859689	532299147	/nfs/dbraw/zinc/29/91/47/532299147.db2.gz	NKCQGKHNTOBZAF-UHFFFAOYSA-N	-1	1	389.842	2.018	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCOCC1	ZINC000183377381	532324128	/nfs/dbraw/zinc/32/41/28/532324128.db2.gz	ZXVFLOCYIPKULS-SNVBAGLBSA-N	-1	1	379.232	2.205	20	5		GEBDMM
Cc1ccccc1C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000188273402	532347603	/nfs/dbraw/zinc/34/76/03/532347603.db2.gz	NFTBHFZDLRGTDS-CYBMUJFWSA-N	-1	1	384.841	2.439	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO	ZINC000188906334	532350123	/nfs/dbraw/zinc/35/01/23/532350123.db2.gz	DTKQKGJLINKRNW-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589923247	532364837	/nfs/dbraw/zinc/36/48/37/532364837.db2.gz	UTYZFXNDQCEWGY-KCJUWKMLSA-N	-1	1	388.751	2.372	20	5		GEBDMM
C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000593275258	532479411	/nfs/dbraw/zinc/47/94/11/532479411.db2.gz	WHGVNEMUOMRKLP-ZCFIWIBFSA-N	-1	1	383.209	2.433	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	ZINC000520395513	532492116	/nfs/dbraw/zinc/49/21/16/532492116.db2.gz	ZQRPCLNFCSJYQG-UHFFFAOYSA-N	-1	1	385.423	2.076	20	5		GEBDMM
C[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593653670	532493001	/nfs/dbraw/zinc/49/30/01/532493001.db2.gz	GGVNUCNAHLUFQY-SECBINFHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1noc(-c2cccs2)n1	ZINC000519670454	532474460	/nfs/dbraw/zinc/47/44/60/532474460.db2.gz	HROMHMZJVBPFOU-UHFFFAOYSA-N	-1	1	380.407	2.326	20	5		GEBDMM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000296326328	532514812	/nfs/dbraw/zinc/51/48/12/532514812.db2.gz	UMPUNWGLOPVMEE-MRVPVSSYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
COC1CC(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000594790793	532529139	/nfs/dbraw/zinc/52/91/39/532529139.db2.gz	WWQDIHGFHZCWDZ-UHFFFAOYSA-N	-1	1	393.259	2.451	20	5		GEBDMM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C	ZINC000595382427	532562532	/nfs/dbraw/zinc/56/25/32/532562532.db2.gz	IFYIKNDPVSHREX-UHFFFAOYSA-N	-1	1	380.369	2.341	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1	ZINC000434758321	532601317	/nfs/dbraw/zinc/60/13/17/532601317.db2.gz	SKRFTAIIDJGENV-NSHDSACASA-N	-1	1	388.398	2.031	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c([N+](=O)[O-])n1	ZINC000533174760	532662947	/nfs/dbraw/zinc/66/29/47/532662947.db2.gz	FSXFIBOSEKCORA-UHFFFAOYSA-N	-1	1	376.797	2.125	20	5		GEBDMM
O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1c[nH]nc1[N+](=O)[O-]	ZINC000568535499	532680325	/nfs/dbraw/zinc/68/03/25/532680325.db2.gz	RVYPYZXBXISKRS-UHFFFAOYSA-N	-1	1	378.146	2.118	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H]1CCSC1	ZINC000286037454	532726311	/nfs/dbraw/zinc/72/63/11/532726311.db2.gz	QFZXOTYXVATUCD-LURJTMIESA-N	-1	1	385.236	2.280	20	5		GEBDMM
CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000286272037	532737471	/nfs/dbraw/zinc/73/74/71/532737471.db2.gz	FAOLMKGLIFLXIC-ZCFIWIBFSA-N	-1	1	377.785	2.107	20	5		GEBDMM
CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1	ZINC000267616338	532748395	/nfs/dbraw/zinc/74/83/95/532748395.db2.gz	JJGHZVNZAAMGDD-QMMMGPOBSA-N	-1	1	375.403	2.376	20	5		GEBDMM
CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOCC1	ZINC000267835532	532750960	/nfs/dbraw/zinc/75/09/60/532750960.db2.gz	YCKKEWFQBCZAEY-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@]12CCCO2	ZINC000273595556	532827638	/nfs/dbraw/zinc/82/76/38/532827638.db2.gz	KOZCELNLUCDZNY-GUTXKFCHSA-N	-1	1	390.845	2.253	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)NC(C)(C)C	ZINC000289151179	532848604	/nfs/dbraw/zinc/84/86/04/532848604.db2.gz	NACXWTQXLXHVFS-SSDOTTSWSA-N	-1	1	398.268	2.483	20	5		GEBDMM
O=c1nc([C@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)[nH][n-]1	ZINC000289169441	532848816	/nfs/dbraw/zinc/84/88/16/532848816.db2.gz	FFEVPRZTJULVTC-JTQLQIEISA-N	-1	1	382.218	2.148	20	5		GEBDMM
C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000289958635	532868634	/nfs/dbraw/zinc/86/86/34/532868634.db2.gz	STUACOSOQKPQKI-OAQYLSRUSA-N	-1	1	387.266	2.091	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCOCC2)c(Cl)cc1Cl	ZINC000289969623	532869601	/nfs/dbraw/zinc/86/96/01/532869601.db2.gz	UIAMWCNDTDMFSZ-UHFFFAOYSA-N	-1	1	399.252	2.112	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c(Cl)cc1Cl	ZINC000290722774	532887665	/nfs/dbraw/zinc/88/76/65/532887665.db2.gz	KOUYRWBMRIQLCS-SECBINFHSA-N	-1	1	399.252	2.376	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1COC2(CCCC2)O1	ZINC000371445999	532948217	/nfs/dbraw/zinc/94/82/17/532948217.db2.gz	ARAHNAYTBHFAAC-SNVBAGLBSA-N	-1	1	376.818	2.212	20	5		GEBDMM
O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl	ZINC000738358202	599040640	/nfs/dbraw/zinc/04/06/40/599040640.db2.gz	AZTSKBDWPUSIGK-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1	ZINC000738369639	598572187	/nfs/dbraw/zinc/57/21/87/598572187.db2.gz	LFFSEYDIFCXQSG-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1	ZINC000738369639	598572188	/nfs/dbraw/zinc/57/21/88/598572188.db2.gz	LFFSEYDIFCXQSG-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
Cc1cccc(C[C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])c1	ZINC000237698366	600062769	/nfs/dbraw/zinc/06/27/69/600062769.db2.gz	HSLVACVNPCALAM-CYBMUJFWSA-N	-1	1	382.376	2.453	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(F)c1	ZINC000737699871	600236554	/nfs/dbraw/zinc/23/65/54/600236554.db2.gz	MLWNUHAFIFKYAP-UHFFFAOYSA-N	-1	1	398.324	2.020	20	5		GEBDMM
O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCN1c1ccccc1	ZINC000826478202	607452668	/nfs/dbraw/zinc/45/26/68/607452668.db2.gz	WRDHKRYFHWEZPA-HNNXBMFYSA-N	-1	1	379.380	2.382	20	5		GEBDMM
O=C1[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCN1c1ccccc1	ZINC000826478202	607452670	/nfs/dbraw/zinc/45/26/70/607452670.db2.gz	WRDHKRYFHWEZPA-HNNXBMFYSA-N	-1	1	379.380	2.382	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)cc1-c1nnn[n-]1	ZINC000826498707	607454532	/nfs/dbraw/zinc/45/45/32/607454532.db2.gz	GFFPFRYHIGUICX-OAHLLOKOSA-N	-1	1	388.428	2.329	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)cc1-c1nn[n-]n1	ZINC000826498707	607454533	/nfs/dbraw/zinc/45/45/33/607454533.db2.gz	GFFPFRYHIGUICX-OAHLLOKOSA-N	-1	1	388.428	2.329	20	5		GEBDMM
O=C([O-])N1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000833279403	600734267	/nfs/dbraw/zinc/73/42/67/600734267.db2.gz	XQALPUYQMWYLDM-MRVPVSSYSA-N	-1	1	398.224	2.322	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1[N+](=O)[O-]	ZINC000739376338	602419129	/nfs/dbraw/zinc/41/91/29/602419129.db2.gz	NVAROFHKGGENNZ-AAEUAGOBSA-N	-1	1	379.417	2.265	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000739375751	602419321	/nfs/dbraw/zinc/41/93/21/602419321.db2.gz	HRFBBFVYELIEKY-ZDUSSCGKSA-N	-1	1	379.417	2.265	20	5		GEBDMM
CCCC[C@H](CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825259620	607583604	/nfs/dbraw/zinc/58/36/04/607583604.db2.gz	JWCSNNIOFNLSHU-NSHDSACASA-N	-1	1	382.446	2.270	20	5		GEBDMM
CCN([C@@H]1CCCC[C@@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825394383	607604659	/nfs/dbraw/zinc/60/46/59/607604659.db2.gz	BIYHHXSJEISXJY-NWDGAFQWSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825060209	607608050	/nfs/dbraw/zinc/60/80/50/607608050.db2.gz	OQTNNTVNDXJSDT-QWRGUYRKSA-N	-1	1	394.457	2.363	20	5		GEBDMM
CC(C)C[C@](C)(CNC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000738809864	603243226	/nfs/dbraw/zinc/24/32/26/603243226.db2.gz	XSXCCKRNDSZABE-CQSZACIVSA-N	-1	1	377.394	2.085	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000826949228	603466471	/nfs/dbraw/zinc/46/64/71/603466471.db2.gz	LOFOMIVFUOBNQO-UHFFFAOYSA-N	-1	1	379.417	2.265	20	5		GEBDMM
CCC(CC)(CC)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825089729	607670699	/nfs/dbraw/zinc/67/06/99/607670699.db2.gz	MAYDNCZFLZRSMY-UHFFFAOYSA-N	-1	1	382.446	2.270	20	5		GEBDMM
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833790544	605445293	/nfs/dbraw/zinc/44/52/93/605445293.db2.gz	PHYZAFWQCFLVEK-RQJABVFESA-N	-1	1	376.413	2.290	20	5		GEBDMM
COc1ccc(C2=NC(=Cc3ccc(-c4nn[n-]n4)s3)C(=O)O2)cc1[N+](=O)[O-]	ZINC000821782875	606391955	/nfs/dbraw/zinc/39/19/55/606391955.db2.gz	QNOUVQLGQCOSJX-YFHOEESVSA-N	-1	1	398.360	2.190	20	5		GEBDMM
Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1nnn[n-]1	ZINC000822899891	606442230	/nfs/dbraw/zinc/44/22/30/606442230.db2.gz	XKAUNAZLRBCYBQ-UHFFFAOYSA-N	-1	1	397.321	2.144	20	5		GEBDMM
Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1-c1nn[n-]n1	ZINC000822899891	606442231	/nfs/dbraw/zinc/44/22/31/606442231.db2.gz	XKAUNAZLRBCYBQ-UHFFFAOYSA-N	-1	1	397.321	2.144	20	5		GEBDMM
COc1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000821717235	606644968	/nfs/dbraw/zinc/64/49/68/606644968.db2.gz	MJBZQDULSDZDHN-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(N2CCCCC2)nc1	ZINC000823625600	606698405	/nfs/dbraw/zinc/69/84/05/606698405.db2.gz	ZETLYQZCFXUEBL-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(N2CCCCC2)nc1	ZINC000823625600	606698407	/nfs/dbraw/zinc/69/84/07/606698407.db2.gz	ZETLYQZCFXUEBL-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
Cc1noc(COc2ccc(Oc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2)n1	ZINC000822527995	606711214	/nfs/dbraw/zinc/71/12/14/606711214.db2.gz	NJOIKWYIIPWZNQ-UHFFFAOYSA-N	-1	1	396.323	2.233	20	5		GEBDMM
Cc1noc(COc2ccc(Oc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2)n1	ZINC000822527995	606711215	/nfs/dbraw/zinc/71/12/15/606711215.db2.gz	NJOIKWYIIPWZNQ-UHFFFAOYSA-N	-1	1	396.323	2.233	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](COCc2ccccc2)C1	ZINC000823619885	606714118	/nfs/dbraw/zinc/71/41/18/606714118.db2.gz	CNXPIRVYLNSJAS-AWEZNQCLSA-N	-1	1	381.396	2.213	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](COCc2ccccc2)C1	ZINC000823619885	606714119	/nfs/dbraw/zinc/71/41/19/606714119.db2.gz	CNXPIRVYLNSJAS-AWEZNQCLSA-N	-1	1	381.396	2.213	20	5		GEBDMM
C[C@H](c1cccs1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820570107	606732376	/nfs/dbraw/zinc/73/23/76/606732376.db2.gz	DNJGFDXQWVNYTD-SECBINFHSA-N	-1	1	394.438	2.218	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1	ZINC000367928266	607018400	/nfs/dbraw/zinc/01/84/00/607018400.db2.gz	FCSXJXDGCUQPOB-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)s1	ZINC000823391690	607133446	/nfs/dbraw/zinc/13/34/46/607133446.db2.gz	BUSRUALKVBAAOF-NXEZZACHSA-N	-1	1	389.397	2.374	20	5		GEBDMM
O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)s1	ZINC000823391690	607133448	/nfs/dbraw/zinc/13/34/48/607133448.db2.gz	BUSRUALKVBAAOF-NXEZZACHSA-N	-1	1	389.397	2.374	20	5		GEBDMM
Cc1cc(C)cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000822196507	607155640	/nfs/dbraw/zinc/15/56/40/607155640.db2.gz	LSMPWJILWKHLCJ-UHFFFAOYSA-N	-1	1	388.409	2.217	20	5		GEBDMM
Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1	ZINC000822231768	607155949	/nfs/dbraw/zinc/15/59/49/607155949.db2.gz	GUUTWRITUCXGJI-UHFFFAOYSA-N	-1	1	388.409	2.217	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccccc1Cn1cccn1	ZINC000823624703	607165691	/nfs/dbraw/zinc/16/56/91/607165691.db2.gz	FJYRGBROCWPFGF-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccccc1Cn1cccn1	ZINC000823624703	607165693	/nfs/dbraw/zinc/16/56/93/607165693.db2.gz	FJYRGBROCWPFGF-UHFFFAOYSA-N	-1	1	377.368	2.027	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccnc1OCC(F)(F)F	ZINC000823625435	607168724	/nfs/dbraw/zinc/16/87/24/607168724.db2.gz	VCIRGUSCSNLNGB-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccnc1OCC(F)(F)F	ZINC000823625435	607168730	/nfs/dbraw/zinc/16/87/30/607168730.db2.gz	VCIRGUSCSNLNGB-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOCc1ccc(Cl)cc1	ZINC000826497563	607819689	/nfs/dbraw/zinc/81/96/89/607819689.db2.gz	LQKLMZDXSMLRDN-UHFFFAOYSA-N	-1	1	375.776	2.452	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOCc1ccc(Cl)cc1	ZINC000826497563	607819690	/nfs/dbraw/zinc/81/96/90/607819690.db2.gz	LQKLMZDXSMLRDN-UHFFFAOYSA-N	-1	1	375.776	2.452	20	5		GEBDMM
Cc1ccc(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-]	ZINC000826291508	607863472	/nfs/dbraw/zinc/86/34/72/607863472.db2.gz	JONACRDMKNDPPE-UHFFFAOYSA-N	-1	1	398.379	2.339	20	5		GEBDMM
CC(C)(C)C1=CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000824071592	607971798	/nfs/dbraw/zinc/97/17/98/607971798.db2.gz	KEFNNFDOIHBXBS-UHFFFAOYSA-N	-1	1	392.441	2.142	20	5		GEBDMM
O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000826451162	607997152	/nfs/dbraw/zinc/99/71/52/607997152.db2.gz	SNNMYRZENBKWSQ-UHFFFAOYSA-N	-1	1	395.379	2.333	20	5		GEBDMM
O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000826421723	607997560	/nfs/dbraw/zinc/99/75/60/607997560.db2.gz	WAXGWCDGUXYXIK-UHFFFAOYSA-N	-1	1	379.336	2.143	20	5		GEBDMM
Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc([N+](=O)[O-])c1F	ZINC000826272324	608247786	/nfs/dbraw/zinc/24/77/86/608247786.db2.gz	DMBNASSMSUDPLM-UHFFFAOYSA-N	-1	1	397.319	2.129	20	5		GEBDMM
Cc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc([N+](=O)[O-])c1F	ZINC000826272324	608247787	/nfs/dbraw/zinc/24/77/87/608247787.db2.gz	DMBNASSMSUDPLM-UHFFFAOYSA-N	-1	1	397.319	2.129	20	5		GEBDMM
COc1cccc2[nH]cc(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c21	ZINC000826217829	609324895	/nfs/dbraw/zinc/32/48/95/609324895.db2.gz	DQHKALWNHRNIKA-UHFFFAOYSA-N	-1	1	380.368	2.314	20	5		GEBDMM
COc1cccc2[nH]cc(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c21	ZINC000826217829	609324897	/nfs/dbraw/zinc/32/48/97/609324897.db2.gz	DQHKALWNHRNIKA-UHFFFAOYSA-N	-1	1	380.368	2.314	20	5		GEBDMM
CCc1nn(Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)c(-c2nn[n-]n2)c1CC	ZINC000825762733	609448279	/nfs/dbraw/zinc/44/82/79/609448279.db2.gz	HIXIJBOAUUJDCE-UHFFFAOYSA-N	-1	1	389.803	2.158	20	5		GEBDMM
CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451695105	650133959	/nfs/dbraw/zinc/13/39/59/650133959.db2.gz	MVKDWLZXFIBLHG-NSHDSACASA-N	-1	1	379.232	2.203	20	5		GEBDMM
Cc1c(Cl)cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-]	ZINC000461109783	650449330	/nfs/dbraw/zinc/44/93/30/650449330.db2.gz	PDUFWVWEQIJBIB-UHFFFAOYSA-N	-1	1	381.801	2.013	20	5		GEBDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1	ZINC000461465557	650455141	/nfs/dbraw/zinc/45/51/41/650455141.db2.gz	PSIBTVZHFMALFT-UHFFFAOYSA-N	-1	1	385.785	2.114	20	5		GEBDMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1	ZINC000511005657	650523044	/nfs/dbraw/zinc/52/30/44/650523044.db2.gz	XWZRTKVIVQJIMQ-YFKPBYRVSA-N	-1	1	380.213	2.368	20	5		GEBDMM
COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1	ZINC000511430325	650537173	/nfs/dbraw/zinc/53/71/73/650537173.db2.gz	RBAPMTZRKGWXLO-UHFFFAOYSA-N	-1	1	393.393	2.439	20	5		GEBDMM
COCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000490297154	650771219	/nfs/dbraw/zinc/77/12/19/650771219.db2.gz	FUEVBCSTTAHBAE-UHFFFAOYSA-N	-1	1	381.248	2.308	20	5		GEBDMM
Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1	ZINC000064242846	642871394	/nfs/dbraw/zinc/87/13/94/642871394.db2.gz	HJXDJEHXAVYJBA-UHFFFAOYSA-N	-1	1	383.451	2.499	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2sccc2C1	ZINC000098117655	643103435	/nfs/dbraw/zinc/10/34/35/643103435.db2.gz	JJPKKDXDQUCADX-JTQLQIEISA-N	-1	1	387.508	2.443	20	5		GEBDMM
O=C(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC1CCCCC1	ZINC000101573606	643109646	/nfs/dbraw/zinc/10/96/46/643109646.db2.gz	MZGXOVHGSWUMPU-UHFFFAOYSA-N	-1	1	389.861	2.366	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc(F)cc1	ZINC000101579274	643111152	/nfs/dbraw/zinc/11/11/52/643111152.db2.gz	NYQTTYORHQGYIW-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cscn1	ZINC000103158661	643157217	/nfs/dbraw/zinc/15/72/17/643157217.db2.gz	FTASFRITTNOWAR-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119385900	643550290	/nfs/dbraw/zinc/55/02/90/643550290.db2.gz	FHLJWSVLOWOIAJ-KWQFWETISA-N	-1	1	381.248	2.043	20	5		GEBDMM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000120664745	643621899	/nfs/dbraw/zinc/62/18/99/643621899.db2.gz	VYNTYOJRXVVXSJ-UHFFFAOYSA-N	-1	1	391.877	2.467	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(CCO)CCC1	ZINC000127311858	643769592	/nfs/dbraw/zinc/76/95/92/643769592.db2.gz	UCAJDPIZLIGRJP-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ncccc3Cl)C2)s1	ZINC000128038233	643790801	/nfs/dbraw/zinc/79/08/01/643790801.db2.gz	JBUMYVXSWOQURD-VIFPVBQESA-N	-1	1	388.858	2.262	20	5		GEBDMM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCO1	ZINC000128760196	643810708	/nfs/dbraw/zinc/81/07/08/643810708.db2.gz	JFFGTGNQPLATCF-GFCCVEGCSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CCOCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000193903694	645305253	/nfs/dbraw/zinc/30/52/53/645305253.db2.gz	UWXHULJQMZIIQC-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000277635537	646455101	/nfs/dbraw/zinc/45/51/01/646455101.db2.gz	CNFJHMNWHBNCKD-SCZZXKLOSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000277862296	646479039	/nfs/dbraw/zinc/47/90/39/646479039.db2.gz	OEEGYYREHXPYHS-MRVPVSSYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416419741	648121382	/nfs/dbraw/zinc/12/13/82/648121382.db2.gz	VYAANLHPQWAGMM-NSHDSACASA-N	-1	1	384.332	2.247	20	5		GEBDMM
CCn1ccnc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416493887	648148008	/nfs/dbraw/zinc/14/80/08/648148008.db2.gz	IMTGKUCJOZHFIA-UHFFFAOYSA-N	-1	1	378.332	2.309	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F	ZINC000416593115	648180129	/nfs/dbraw/zinc/18/01/29/648180129.db2.gz	CYNFHRHAWGZPIK-QMMMGPOBSA-N	-1	1	384.332	2.248	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1	ZINC000416641533	648198106	/nfs/dbraw/zinc/19/81/06/648198106.db2.gz	QRKXTOTUTXGVFY-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442324012	648841082	/nfs/dbraw/zinc/84/10/82/648841082.db2.gz	NBBFJMLAASSTHC-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
CS(=O)(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)o1	ZINC000609581174	651624463	/nfs/dbraw/zinc/62/44/63/651624463.db2.gz	YWOFDBKZCFTZCR-UHFFFAOYSA-N	-1	1	376.293	2.445	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000609615796	651627544	/nfs/dbraw/zinc/62/75/44/651627544.db2.gz	GEFMHGRMAOWPFD-ZDUSSCGKSA-N	-1	1	389.861	2.174	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](OC)c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000611106594	651707466	/nfs/dbraw/zinc/70/74/66/651707466.db2.gz	JKVAYDIMFXKDPJ-LBPRGKRZSA-N	-1	1	388.833	2.131	20	5		GEBDMM
CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000741260433	651943155	/nfs/dbraw/zinc/94/31/55/651943155.db2.gz	UTVRTGHRDKDCJJ-SNVBAGLBSA-N	-1	1	391.471	2.238	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CNC(=O)OC(C)(C)C	ZINC000749962028	652275955	/nfs/dbraw/zinc/27/59/55/652275955.db2.gz	CTIDUOPXLVMBQC-VIFPVBQESA-N	-1	1	379.460	2.095	20	5		GEBDMM
COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000751221296	652331737	/nfs/dbraw/zinc/33/17/37/652331737.db2.gz	FZUWUPRQCCBSBR-AWEZNQCLSA-N	-1	1	386.813	2.269	20	5		GEBDMM
COc1cccc([C@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000751288218	652339008	/nfs/dbraw/zinc/33/90/08/652339008.db2.gz	OFXXPLWZSDTERA-CQSZACIVSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751388789	652344117	/nfs/dbraw/zinc/34/41/17/652344117.db2.gz	IFAACWVKFAFXAL-TVQRCGJNSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751388790	652344136	/nfs/dbraw/zinc/34/41/36/652344136.db2.gz	IFAACWVKFAFXAL-ZANVPECISA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F	ZINC000751423384	652347832	/nfs/dbraw/zinc/34/78/32/652347832.db2.gz	PDXMHBVYOLXGST-LLVKDONJSA-N	-1	1	376.312	2.024	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000594807735	652684381	/nfs/dbraw/zinc/68/43/81/652684381.db2.gz	GPHIIWUHIHIAED-WZRBSPASSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2SCCS[C@H]12	ZINC000762519784	652695823	/nfs/dbraw/zinc/69/58/23/652695823.db2.gz	CUSMLMCGTFRTIR-GIPNMCIBSA-N	-1	1	378.472	2.392	20	5		GEBDMM
Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1	ZINC000765175373	652828518	/nfs/dbraw/zinc/82/85/18/652828518.db2.gz	SZSDIWDJOZJNRN-LURJTMIESA-N	-1	1	391.203	2.088	20	5		GEBDMM
Cc1sc(S(=O)(=O)[N-]Cc2c(C(F)(F)F)cnn2C)cc1[N+](=O)[O-]	ZINC000599370251	652865014	/nfs/dbraw/zinc/86/50/14/652865014.db2.gz	PCPQXTPMJZWGLC-UHFFFAOYSA-N	-1	1	384.361	2.196	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1	ZINC000599481680	652875365	/nfs/dbraw/zinc/87/53/65/652875365.db2.gz	HKQKYDCWKUDWCI-CMPLNLGQSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1	ZINC000599481683	652875439	/nfs/dbraw/zinc/87/54/39/652875439.db2.gz	HKQKYDCWKUDWCI-ZYHUDNBSSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CN(C)C(=O)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768808673	653127507	/nfs/dbraw/zinc/12/75/07/653127507.db2.gz	DGXLTNFPQFGPFX-ZDUSSCGKSA-N	-1	1	383.451	2.154	20	5		GEBDMM
COc1cc2c(cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)O[C@@H](C)C2	ZINC000768864825	653132916	/nfs/dbraw/zinc/13/29/16/653132916.db2.gz	UZVQETIJNFJSOL-VIFPVBQESA-N	-1	1	384.435	2.467	20	5		GEBDMM
O=C1OCCN1c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768885664	653135388	/nfs/dbraw/zinc/13/53/88/653135388.db2.gz	AKTCKIFBHZSNRG-UHFFFAOYSA-N	-1	1	383.407	2.091	20	5		GEBDMM
Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br	ZINC000808554388	653231709	/nfs/dbraw/zinc/23/17/09/653231709.db2.gz	ATDHBZHCBLYHEG-UHFFFAOYSA-N	-1	1	375.204	2.200	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000774797667	653257780	/nfs/dbraw/zinc/25/77/80/653257780.db2.gz	LQSSLXVSLGAURG-BXKDBHETSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000774927617	653270045	/nfs/dbraw/zinc/27/00/45/653270045.db2.gz	FUTKWRQYQOHGPE-HNNXBMFYSA-N	-1	1	376.406	2.380	20	5		GEBDMM
COC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809805506	653296408	/nfs/dbraw/zinc/29/64/08/653296408.db2.gz	ASQGZNFQFPGYPO-UHFFFAOYSA-N	-1	1	382.797	2.399	20	5		GEBDMM
CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809813813	653297853	/nfs/dbraw/zinc/29/78/53/653297853.db2.gz	QBSLQCPSFLMBMI-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827793	653304046	/nfs/dbraw/zinc/30/40/46/653304046.db2.gz	DYECBIJYJRIDCG-JTQLQIEISA-N	-1	1	398.268	2.341	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ncn(C)n1	ZINC000809836590	653307383	/nfs/dbraw/zinc/30/73/83/653307383.db2.gz	OOEGFQYMNACVMA-ZCFIWIBFSA-N	-1	1	380.213	2.070	20	5		GEBDMM
CC(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000776442559	653349448	/nfs/dbraw/zinc/34/94/48/653349448.db2.gz	JFCSBLPKVRNRKP-UHFFFAOYSA-N	-1	1	385.379	2.114	20	5		GEBDMM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814989056	653641981	/nfs/dbraw/zinc/64/19/81/653641981.db2.gz	DULVAANMKOAMIZ-UHFFFAOYSA-N	-1	1	395.840	2.314	20	5		GEBDMM
CC(=O)NC1CCC([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1	ZINC000815008017	653642811	/nfs/dbraw/zinc/64/28/11/653642811.db2.gz	LBJDJJSNOGDRCV-UHFFFAOYSA-N	-1	1	393.824	2.113	20	5		GEBDMM
CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815019684	653644344	/nfs/dbraw/zinc/64/43/44/653644344.db2.gz	RBSVVXDESGGWIV-MRVPVSSYSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815021899	653644633	/nfs/dbraw/zinc/64/46/33/653644633.db2.gz	RCCCBSGEYNMENE-NSHDSACASA-N	-1	1	394.808	2.397	20	5		GEBDMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815024265	653645155	/nfs/dbraw/zinc/64/51/55/653645155.db2.gz	XIAGANRUDHQHPJ-SNVBAGLBSA-N	-1	1	380.781	2.007	20	5		GEBDMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815024264	653645204	/nfs/dbraw/zinc/64/52/04/653645204.db2.gz	XIAGANRUDHQHPJ-JTQLQIEISA-N	-1	1	380.781	2.007	20	5		GEBDMM
CCn1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1=O	ZINC000815040461	653647310	/nfs/dbraw/zinc/64/73/10/653647310.db2.gz	AXGBASDJUXGAEM-UHFFFAOYSA-N	-1	1	389.792	2.047	20	5		GEBDMM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000815046908	653647959	/nfs/dbraw/zinc/64/79/59/653647959.db2.gz	CHGMBTRUINCNGA-CYBMUJFWSA-N	-1	1	380.825	2.463	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1)C(F)(F)F	ZINC000786890128	653730163	/nfs/dbraw/zinc/73/01/63/653730163.db2.gz	JPDOSDWFNZLSTF-JTQLQIEISA-N	-1	1	385.320	2.392	20	5		GEBDMM
CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000845969976	653874241	/nfs/dbraw/zinc/87/42/41/653874241.db2.gz	WBLXDJUEXZOOAS-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000795206956	653938903	/nfs/dbraw/zinc/93/89/03/653938903.db2.gz	JCXGBYOEGIDILN-SECBINFHSA-N	-1	1	393.849	2.440	20	5		GEBDMM
CN(C)C(=O)Nc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000795357658	653947637	/nfs/dbraw/zinc/94/76/37/653947637.db2.gz	LVXSVFFMJADPSV-UHFFFAOYSA-N	-1	1	384.439	2.228	20	5		GEBDMM
CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795853142	653970814	/nfs/dbraw/zinc/97/08/14/653970814.db2.gz	FWIMIFMKVDHSLB-QMMMGPOBSA-N	-1	1	399.238	2.182	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000795895964	653975849	/nfs/dbraw/zinc/97/58/49/653975849.db2.gz	MTSYQCPLMGJJFZ-JTQLQIEISA-N	-1	1	397.222	2.200	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1	ZINC000848478405	653980548	/nfs/dbraw/zinc/98/05/48/653980548.db2.gz	MRJQPEOIEQYMME-UHFFFAOYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]([C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000849423280	654030796	/nfs/dbraw/zinc/03/07/96/654030796.db2.gz	LIHBVCOEOHVADC-RTXFEEFZSA-N	-1	1	392.861	2.093	20	5		GEBDMM
COCCOC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830691317	654136620	/nfs/dbraw/zinc/13/66/20/654136620.db2.gz	UXSDYGDWMAMCHX-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@@H]1OC	ZINC000831106462	654164502	/nfs/dbraw/zinc/16/45/02/654164502.db2.gz	YOOJEABTAKCTKD-XRNSZHNASA-N	-1	1	399.252	2.372	20	5		GEBDMM
CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C	ZINC000920045193	654200386	/nfs/dbraw/zinc/20/03/86/654200386.db2.gz	WPZWHOKRGIXJJZ-UHFFFAOYSA-N	-1	1	379.460	2.192	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccnc1-2	ZINC000801703260	654204290	/nfs/dbraw/zinc/20/42/90/654204290.db2.gz	GADTZJLPTCZBNY-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000832067505	654230989	/nfs/dbraw/zinc/23/09/89/654230989.db2.gz	TVSHXKPPFHAGPT-KWQFWETISA-N	-1	1	399.252	2.231	20	5		GEBDMM
CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1	ZINC000832671659	654285901	/nfs/dbraw/zinc/28/59/01/654285901.db2.gz	FSPLELBEKAUPIG-GFCCVEGCSA-N	-1	1	385.423	2.024	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1Cl	ZINC000907764256	654575854	/nfs/dbraw/zinc/57/58/54/654575854.db2.gz	VTVZNESSRIIUBO-LQELZRLLSA-N	-1	1	379.221	2.356	20	5		GEBDMM
Cc1n[nH]c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C	ZINC000151420683	531500717	/nfs/dbraw/zinc/50/07/17/531500717.db2.gz	BEUSWUGOPIVSQQ-UHFFFAOYSA-N	-1	1	375.204	2.498	20	5		GEBDMM
Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c[nH]c1=O	ZINC000158288394	531773074	/nfs/dbraw/zinc/77/30/74/531773074.db2.gz	PZRDTRUALYVVAI-UHFFFAOYSA-N	-1	1	388.199	2.155	20	5		GEBDMM
CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000158333241	531774724	/nfs/dbraw/zinc/77/47/24/531774724.db2.gz	NEKUGSQPBMCIBJ-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
CC(C)OCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000171413967	531906381	/nfs/dbraw/zinc/90/63/81/531906381.db2.gz	HCLQGESSOMDHRG-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)O	ZINC000120745634	531991860	/nfs/dbraw/zinc/99/18/60/531991860.db2.gz	GFPIYBAYQCBNIH-BDAKNGLRSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CCc1cnc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)s1	ZINC000187223779	532343587	/nfs/dbraw/zinc/34/35/87/532343587.db2.gz	UMYCHSHIJMTAIB-UHFFFAOYSA-N	-1	1	375.403	2.240	20	5		GEBDMM
Cc1ccc(C[C@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000188352514	532347902	/nfs/dbraw/zinc/34/79/02/532347902.db2.gz	IVQJZQVKZNODMO-CYBMUJFWSA-N	-1	1	384.841	2.439	20	5		GEBDMM
Cc1cccc(C[C@@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000188382887	532347917	/nfs/dbraw/zinc/34/79/17/532347917.db2.gz	DZSZKWCDYVZSAI-ZDUSSCGKSA-N	-1	1	384.841	2.439	20	5		GEBDMM
C[C@@H](CCO)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295149628	532409760	/nfs/dbraw/zinc/40/97/60/532409760.db2.gz	AVXZJZCCKFHFPN-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000295324274	532434310	/nfs/dbraw/zinc/43/43/10/532434310.db2.gz	PWCLHGGQMWFKEF-MRVPVSSYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(F)c3)no2)s1	ZINC000373277310	532439609	/nfs/dbraw/zinc/43/96/09/532439609.db2.gz	XTRYPWTUUJHXBW-UHFFFAOYSA-N	-1	1	384.370	2.324	20	5		GEBDMM
CC(C)[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000295887200	532485494	/nfs/dbraw/zinc/48/54/94/532485494.db2.gz	GKMHXYMZJYAWAC-GFCCVEGCSA-N	-1	1	384.241	2.080	20	5		GEBDMM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000225770606	532486842	/nfs/dbraw/zinc/48/68/42/532486842.db2.gz	RBOMYHTVZHOTCL-UHFFFAOYSA-N	-1	1	381.248	2.185	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H](COC)c2cccc(Cl)c2)c([N+](=O)[O-])n1	ZINC000519667760	532474470	/nfs/dbraw/zinc/47/44/70/532474470.db2.gz	PUTOHWAORBLUQS-GFCCVEGCSA-N	-1	1	388.833	2.131	20	5		GEBDMM
C[S@](=O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000296118734	532502589	/nfs/dbraw/zinc/50/25/89/532502589.db2.gz	RRRUXBDQVVQOFW-NRFANRHFSA-N	-1	1	387.266	2.091	20	5		GEBDMM
C[S@@](=O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000296118735	532502919	/nfs/dbraw/zinc/50/29/19/532502919.db2.gz	RRRUXBDQVVQOFW-OAQYLSRUSA-N	-1	1	387.266	2.091	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H](CO)CC1CC1	ZINC000594866322	532538146	/nfs/dbraw/zinc/53/81/46/532538146.db2.gz	VHZHFAINAUTFTR-SNVBAGLBSA-N	-1	1	393.259	2.044	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC[C@@H]1CCCO1	ZINC000263710701	532636457	/nfs/dbraw/zinc/63/64/57/532636457.db2.gz	POBUVIZCZMWMIG-LBPRGKRZSA-N	-1	1	378.834	2.112	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c(F)c1	ZINC000599372982	532658978	/nfs/dbraw/zinc/65/89/78/532658978.db2.gz	QKLQBFDTUGHINU-LLVKDONJSA-N	-1	1	382.295	2.012	20	5		GEBDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCO1	ZINC000286483924	532750728	/nfs/dbraw/zinc/75/07/28/532750728.db2.gz	QDZGMLRGGZDQCX-JGVFFNPUSA-N	-1	1	397.222	2.342	20	5		GEBDMM
COc1ccc(Br)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1	ZINC000445173847	532752689	/nfs/dbraw/zinc/75/26/89/532752689.db2.gz	PVNSEWXCONNTDM-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(=O)NC(C)(C)C	ZINC000289151183	532848648	/nfs/dbraw/zinc/84/86/48/532848648.db2.gz	NACXWTQXLXHVFS-ZETCQYMHSA-N	-1	1	398.268	2.483	20	5		GEBDMM
CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1nncn1C	ZINC000289781510	532865100	/nfs/dbraw/zinc/86/51/00/532865100.db2.gz	IBWPMUIJJXILDI-GFCCVEGCSA-N	-1	1	391.812	2.191	20	5		GEBDMM
CSc1nnc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1	ZINC000275634478	532880496	/nfs/dbraw/zinc/88/04/96/532880496.db2.gz	QWZROUFAFWTJLJ-UHFFFAOYSA-N	-1	1	378.432	2.094	20	5		GEBDMM
NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290744137	532888097	/nfs/dbraw/zinc/88/80/97/532888097.db2.gz	MFJGKXOXWNQPSS-XCBNKYQSSA-N	-1	1	396.252	2.224	20	5		GEBDMM
NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290744139	532888216	/nfs/dbraw/zinc/88/82/16/532888216.db2.gz	MFJGKXOXWNQPSS-XVKPBYJWSA-N	-1	1	396.252	2.224	20	5		GEBDMM
CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000290846230	532890972	/nfs/dbraw/zinc/89/09/72/532890972.db2.gz	WBWHRMADVOVXOW-MRVPVSSYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1	ZINC000737300522	598929867	/nfs/dbraw/zinc/92/98/67/598929867.db2.gz	AAOVBUUCZADAGO-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
CCOc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])cc1OCC	ZINC000736626282	598984704	/nfs/dbraw/zinc/98/47/04/598984704.db2.gz	QWCGHOQAAGFFPR-UHFFFAOYSA-N	-1	1	399.367	2.220	20	5		GEBDMM
CCOc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])cc1OCC	ZINC000736626282	598984706	/nfs/dbraw/zinc/98/47/06/598984706.db2.gz	QWCGHOQAAGFFPR-UHFFFAOYSA-N	-1	1	399.367	2.220	20	5		GEBDMM
COc1cc(CN2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000820763899	598129208	/nfs/dbraw/zinc/12/92/08/598129208.db2.gz	KZXQJEAORQGLHY-VIFPVBQESA-N	-1	1	378.303	2.451	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)ccc1Cl	ZINC000738358935	598595980	/nfs/dbraw/zinc/59/59/80/598595980.db2.gz	FUOYRJSVPWFLHK-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)[O-])cc1	ZINC000738569983	600170179	/nfs/dbraw/zinc/17/01/79/600170179.db2.gz	LDEMNVDVONSDGX-GFCCVEGCSA-N	-1	1	382.369	2.189	20	5		GEBDMM
Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[nH]n1	ZINC000738905651	600189060	/nfs/dbraw/zinc/18/90/60/600189060.db2.gz	LHGDWLRODRKYCP-UHFFFAOYSA-N	-1	1	384.352	2.286	20	5		GEBDMM
Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1C	ZINC000826298979	607450266	/nfs/dbraw/zinc/45/02/66/607450266.db2.gz	MVGCHWZRWZIVDO-UHFFFAOYSA-N	-1	1	381.396	2.467	20	5		GEBDMM
Cc1cccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1C	ZINC000826298979	607450267	/nfs/dbraw/zinc/45/02/67/607450267.db2.gz	MVGCHWZRWZIVDO-UHFFFAOYSA-N	-1	1	381.396	2.467	20	5		GEBDMM
Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F	ZINC000826281742	607450819	/nfs/dbraw/zinc/45/08/19/607450819.db2.gz	IKJMLDYENXTGOR-UHFFFAOYSA-N	-1	1	385.359	2.064	20	5		GEBDMM
Cc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1F	ZINC000826281742	607450821	/nfs/dbraw/zinc/45/08/21/607450821.db2.gz	IKJMLDYENXTGOR-UHFFFAOYSA-N	-1	1	385.359	2.064	20	5		GEBDMM
Cc1cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)ccc1[N+](=O)[O-]	ZINC000738477107	600613080	/nfs/dbraw/zinc/61/30/80/600613080.db2.gz	OOZLXIOHJREIOI-UHFFFAOYSA-N	-1	1	376.350	2.279	20	5		GEBDMM
CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000484560384	600690586	/nfs/dbraw/zinc/69/05/86/600690586.db2.gz	YKLUBPUMTWNSII-UHFFFAOYSA-N	-1	1	394.361	2.271	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832905726	600691459	/nfs/dbraw/zinc/69/14/59/600691459.db2.gz	RAHRIVOVVLYBLG-UHFFFAOYSA-N	-1	1	381.322	2.310	20	5		GEBDMM
C[C@@H](NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000827741665	601852194	/nfs/dbraw/zinc/85/21/94/601852194.db2.gz	PFACVCHMTDNHDO-CYBMUJFWSA-N	-1	1	392.433	2.445	20	5		GEBDMM
Cc1ccc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000832935081	601975514	/nfs/dbraw/zinc/97/55/14/601975514.db2.gz	UHBLUMVMKZUKCB-UHFFFAOYSA-N	-1	1	392.433	2.192	20	5		GEBDMM
CC(C)(CNC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000823997377	603112860	/nfs/dbraw/zinc/11/28/60/603112860.db2.gz	NQRTUVZUDSAHRT-UHFFFAOYSA-N	-1	1	386.213	2.226	20	5		GEBDMM
CC[C@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000825192821	607642118	/nfs/dbraw/zinc/64/21/18/607642118.db2.gz	JDIQZAQFMWPYLA-QWRGUYRKSA-N	-1	1	380.430	2.022	20	5		GEBDMM
O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1	ZINC000826498096	607677974	/nfs/dbraw/zinc/67/79/74/607677974.db2.gz	HOAYZKWOAHSXFR-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000826496978	607736853	/nfs/dbraw/zinc/73/68/53/607736853.db2.gz	PYACIXFBLHNXPI-SNVBAGLBSA-N	-1	1	387.787	2.481	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](Oc2ccccc2Cl)C1	ZINC000826496978	607736854	/nfs/dbraw/zinc/73/68/54/607736854.db2.gz	PYACIXFBLHNXPI-SNVBAGLBSA-N	-1	1	387.787	2.481	20	5		GEBDMM
CC(C)(C)NC(=O)CN1CCC(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000833431587	605190828	/nfs/dbraw/zinc/19/08/28/605190828.db2.gz	RWOWJWXLVXKKFD-UHFFFAOYSA-N	-1	1	392.456	2.332	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21	ZINC000834183600	605327133	/nfs/dbraw/zinc/32/71/33/605327133.db2.gz	PNSFXVIVAILIRL-VNQPRFMTSA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031433	605522965	/nfs/dbraw/zinc/52/29/65/605522965.db2.gz	ZGUSOMVITCCIEA-WMLDXEAASA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=[N+]([O-])c1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000823634150	606644173	/nfs/dbraw/zinc/64/41/73/606644173.db2.gz	BABZFEUQIBDGEL-UHFFFAOYSA-N	-1	1	396.367	2.010	20	5		GEBDMM
O=[N+]([O-])c1cc(N2CCN(c3ccc(Cl)cn3)CC2)ccc1-c1nn[n-]n1	ZINC000823634919	606646112	/nfs/dbraw/zinc/64/61/12/606646112.db2.gz	OKHFLZIAYIBRFQ-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=C1[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCCN1c1ccccc1	ZINC000823513504	606646215	/nfs/dbraw/zinc/64/62/15/606646215.db2.gz	URDPFZFBJCZNBF-OAHLLOKOSA-N	-1	1	379.380	2.382	20	5		GEBDMM
CCN(CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000821207320	606697808	/nfs/dbraw/zinc/69/78/08/606697808.db2.gz	LFRHJNBSXFTGEI-UHFFFAOYSA-N	-1	1	392.420	2.229	20	5		GEBDMM
CCN(CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000821207320	606697809	/nfs/dbraw/zinc/69/78/09/606697809.db2.gz	LFRHJNBSXFTGEI-UHFFFAOYSA-N	-1	1	392.420	2.229	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(OC2CCCC2)c1	ZINC000823624900	606698545	/nfs/dbraw/zinc/69/85/45/606698545.db2.gz	JUVGMYDQLHDTKJ-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(OC2CCCC2)c1	ZINC000823624900	606698547	/nfs/dbraw/zinc/69/85/47/606698547.db2.gz	JUVGMYDQLHDTKJ-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccccc2)CCOCC1	ZINC000823620483	606698694	/nfs/dbraw/zinc/69/86/94/606698694.db2.gz	LMRKYKFGLAQYAQ-UHFFFAOYSA-N	-1	1	381.396	2.330	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccccc2)CCOCC1	ZINC000823620483	606698696	/nfs/dbraw/zinc/69/86/96/606698696.db2.gz	LMRKYKFGLAQYAQ-UHFFFAOYSA-N	-1	1	381.396	2.330	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(OC2CCCC2)nc1	ZINC000823625436	606700507	/nfs/dbraw/zinc/70/05/07/606700507.db2.gz	VCSRNRWMFLKFLV-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(OC2CCCC2)nc1	ZINC000823625436	606700508	/nfs/dbraw/zinc/70/05/08/606700508.db2.gz	VCSRNRWMFLKFLV-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1ccc2ccccc2n1	ZINC000823625526	606702633	/nfs/dbraw/zinc/70/26/33/606702633.db2.gz	XTGGPALGRAOQSF-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1ccc2ccccc2n1	ZINC000823625526	606702634	/nfs/dbraw/zinc/70/26/34/606702634.db2.gz	XTGGPALGRAOQSF-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1ccccc1C(F)(F)F	ZINC000823620913	606704259	/nfs/dbraw/zinc/70/42/59/606704259.db2.gz	SOEKYGPSISYTRO-LLVKDONJSA-N	-1	1	395.301	2.334	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1ccccc1C(F)(F)F	ZINC000823620913	606704261	/nfs/dbraw/zinc/70/42/61/606704261.db2.gz	SOEKYGPSISYTRO-LLVKDONJSA-N	-1	1	395.301	2.334	20	5		GEBDMM
C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000820777097	606711749	/nfs/dbraw/zinc/71/17/49/606711749.db2.gz	OYJBHZLDKMUSAN-QMTHXVAHSA-N	-1	1	385.359	2.275	20	5		GEBDMM
C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1	ZINC000820777097	606711751	/nfs/dbraw/zinc/71/17/51/606711751.db2.gz	OYJBHZLDKMUSAN-QMTHXVAHSA-N	-1	1	385.359	2.275	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc(C(F)(F)F)cs1	ZINC000823625169	606714069	/nfs/dbraw/zinc/71/40/69/606714069.db2.gz	RWLJEISULZUZBH-UHFFFAOYSA-N	-1	1	386.319	2.300	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nc(C(F)(F)F)cs1	ZINC000823625169	606714070	/nfs/dbraw/zinc/71/40/70/606714070.db2.gz	RWLJEISULZUZBH-UHFFFAOYSA-N	-1	1	386.319	2.300	20	5		GEBDMM
CCCC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCC1	ZINC000821043195	606735896	/nfs/dbraw/zinc/73/58/96/606735896.db2.gz	MQWCKIYJOUTHJG-LBPRGKRZSA-N	-1	1	394.457	2.412	20	5		GEBDMM
C[C@H]1c2ccccc2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820825814	606736396	/nfs/dbraw/zinc/73/63/96/606736396.db2.gz	DZRTVFSAOADWFM-JTQLQIEISA-N	-1	1	386.393	2.040	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OC[C@@H]2CCCO2)c1	ZINC000823625012	607168785	/nfs/dbraw/zinc/16/87/85/607168785.db2.gz	NXPWISIGQGDIBN-ZDUSSCGKSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OC[C@@H]2CCCO2)c1	ZINC000823625012	607168787	/nfs/dbraw/zinc/16/87/87/607168787.db2.gz	NXPWISIGQGDIBN-ZDUSSCGKSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826499819	607868397	/nfs/dbraw/zinc/86/83/97/607868397.db2.gz	YXZJUXYGHQJHIQ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826499819	607868398	/nfs/dbraw/zinc/86/83/98/607868398.db2.gz	YXZJUXYGHQJHIQ-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCCN(c2ccccc2F)C1	ZINC000826497921	608099244	/nfs/dbraw/zinc/09/92/44/608099244.db2.gz	YRZSQHFJRSABSC-LLVKDONJSA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCCN(c2ccccc2F)C1	ZINC000826497921	608099245	/nfs/dbraw/zinc/09/92/45/608099245.db2.gz	YRZSQHFJRSABSC-LLVKDONJSA-N	-1	1	384.375	2.390	20	5		GEBDMM
O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1	ZINC000826458818	609291967	/nfs/dbraw/zinc/29/19/67/609291967.db2.gz	HLDPGCCRMQUEEX-UHFFFAOYSA-N	-1	1	394.326	2.352	20	5		GEBDMM
CSc1[nH]c(=O)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1	ZINC000826229437	609296692	/nfs/dbraw/zinc/29/66/92/609296692.db2.gz	DUOFAEJGGWBQHL-UHFFFAOYSA-N	-1	1	387.381	2.158	20	5		GEBDMM
CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1	ZINC000451776009	650141391	/nfs/dbraw/zinc/14/13/91/650141391.db2.gz	SHCMTGADDPRJKN-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
CCOC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000462401619	650477936	/nfs/dbraw/zinc/47/79/36/650477936.db2.gz	KRYWCYUULJXZQK-LBPRGKRZSA-N	-1	1	384.435	2.282	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000480011602	650614481	/nfs/dbraw/zinc/61/44/81/650614481.db2.gz	CXARIESJIBLRIH-UHFFFAOYSA-N	-1	1	388.785	2.149	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(F)c(F)c2)s1	ZINC000480749861	650630695	/nfs/dbraw/zinc/63/06/95/650630695.db2.gz	QBWQXZWROJPLNA-JTQLQIEISA-N	-1	1	392.405	2.064	20	5		GEBDMM
CN(C)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl	ZINC000525184963	650651222	/nfs/dbraw/zinc/65/12/22/650651222.db2.gz	KZIGEOHTHBUGRR-CYBMUJFWSA-N	-1	1	384.845	2.224	20	5		GEBDMM
CN(CCOc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000028812976	642453193	/nfs/dbraw/zinc/45/31/93/642453193.db2.gz	YXIVYVQBIPLLAT-UHFFFAOYSA-N	-1	1	396.197	2.197	20	5		GEBDMM
CC(C)OCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040445995	642523648	/nfs/dbraw/zinc/52/36/48/642523648.db2.gz	YEVJYPPACCAEQQ-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040779730	642524699	/nfs/dbraw/zinc/52/46/99/642524699.db2.gz	ZFIUERHVFOQVRQ-SNVBAGLBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])n1	ZINC000533634700	650764080	/nfs/dbraw/zinc/76/40/80/650764080.db2.gz	LMAZEGCQDLTEMZ-UHFFFAOYSA-N	-1	1	384.845	2.475	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c([N+](=O)[O-])n1	ZINC000533635162	650764082	/nfs/dbraw/zinc/76/40/82/650764082.db2.gz	MZNIQKOIJKYGTR-ZDUSSCGKSA-N	-1	1	382.467	2.120	20	5		GEBDMM
COC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])oc1C	ZINC000046803223	642616368	/nfs/dbraw/zinc/61/63/68/642616368.db2.gz	HYKYWSZPZCEWMA-UHFFFAOYSA-N	-1	1	388.785	2.415	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1S(C)(=O)=O	ZINC000534686666	650779786	/nfs/dbraw/zinc/77/97/86/650779786.db2.gz	ZLJFPRIBJXCOSU-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000536459488	650802855	/nfs/dbraw/zinc/80/28/55/650802855.db2.gz	MVEBQJVCTKIKCD-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000102411742	643125783	/nfs/dbraw/zinc/12/57/83/643125783.db2.gz	CYBZLZMYHYCTTG-MNOVXSKESA-N	-1	1	389.861	2.316	20	5		GEBDMM
CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000115632990	643443923	/nfs/dbraw/zinc/44/39/23/643443923.db2.gz	QPWIWTQOKGKBON-UHFFFAOYSA-N	-1	1	381.248	2.187	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F	ZINC000497955472	650843217	/nfs/dbraw/zinc/84/32/17/650843217.db2.gz	ZKKQYUVUXVSLBT-XCBNKYQSSA-N	-1	1	376.740	2.228	20	5		GEBDMM
O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc2cn[nH]c21	ZINC000119956429	643581230	/nfs/dbraw/zinc/58/12/30/643581230.db2.gz	WWCSKPCIFOSZEN-UHFFFAOYSA-N	-1	1	380.769	2.243	20	5		GEBDMM
CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000123706732	643675674	/nfs/dbraw/zinc/67/56/74/643675674.db2.gz	YPOBQARBRZBJLI-JTQLQIEISA-N	-1	1	395.275	2.434	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000125502168	643708327	/nfs/dbraw/zinc/70/83/27/643708327.db2.gz	IZJJCHHBPGZNCC-UHFFFAOYSA-N	-1	1	379.217	2.119	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1	ZINC000127239170	643765735	/nfs/dbraw/zinc/76/57/35/643765735.db2.gz	HBWGAMZZDUHAPB-QMMMGPOBSA-N	-1	1	387.767	2.163	20	5		GEBDMM
CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000128720926	643809904	/nfs/dbraw/zinc/80/99/04/643809904.db2.gz	KGXRCSMDPFHVAG-SNVBAGLBSA-N	-1	1	395.275	2.433	20	5		GEBDMM
C[C@@H]1CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1	ZINC000131250227	643868466	/nfs/dbraw/zinc/86/84/66/643868466.db2.gz	QCKCPFLGCZKANX-VXGBXAGGSA-N	-1	1	391.877	2.026	20	5		GEBDMM
Cc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000158143916	644141072	/nfs/dbraw/zinc/14/10/72/644141072.db2.gz	VZDRQFOCGAQNFP-UHFFFAOYSA-N	-1	1	390.215	2.441	20	5		GEBDMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1[N+](=O)[O-]	ZINC000545569429	650979310	/nfs/dbraw/zinc/97/93/10/650979310.db2.gz	GHYALXOPVAHPBI-UHFFFAOYSA-N	-1	1	380.407	2.493	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000269108428	646016304	/nfs/dbraw/zinc/01/63/04/646016304.db2.gz	CHZCNBDBXIXYMA-YGRLFVJLSA-N	-1	1	376.431	2.067	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCSCC2)C1	ZINC000269372270	646031902	/nfs/dbraw/zinc/03/19/02/646031902.db2.gz	ZBLUUDQKVRWOCX-LLVKDONJSA-N	-1	1	390.458	2.457	20	5		GEBDMM
CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000289754301	647171848	/nfs/dbraw/zinc/17/18/48/647171848.db2.gz	GPIRMRXYNPZIKT-UHFFFAOYSA-N	-1	1	391.812	2.212	20	5		GEBDMM
COc1cc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)cc(Br)c1[O-]	ZINC000350774417	647540576	/nfs/dbraw/zinc/54/05/76/647540576.db2.gz	JHYXGACSUVUUBV-UHFFFAOYSA-N	-1	1	396.157	2.366	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)cc1Cl	ZINC000377855996	647869582	/nfs/dbraw/zinc/86/95/82/647869582.db2.gz	MLGQDFJWLBJGPP-YMTOWFKASA-N	-1	1	394.808	2.004	20	5		GEBDMM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1	ZINC000416526007	648160349	/nfs/dbraw/zinc/16/03/49/648160349.db2.gz	AUMFSXMXMRFLNE-WPRPVWTQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=C(C1CCC1)N(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000609432274	651619492	/nfs/dbraw/zinc/61/94/92/651619492.db2.gz	SWFLDLYEMBCEES-UHFFFAOYSA-N	-1	1	387.483	2.116	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)c(F)c1	ZINC000572464878	651894042	/nfs/dbraw/zinc/89/40/42/651894042.db2.gz	KOEITRUJKUJXII-UHFFFAOYSA-N	-1	1	377.300	2.209	20	5		GEBDMM
CCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2Br)cc1[N+](=O)[O-]	ZINC000572602589	651903177	/nfs/dbraw/zinc/90/31/77/651903177.db2.gz	XMPRRTCZVGLMJQ-UHFFFAOYSA-N	-1	1	389.231	2.454	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CNC(=O)OC(C)(C)C	ZINC000749962026	652275840	/nfs/dbraw/zinc/27/58/40/652275840.db2.gz	CTIDUOPXLVMBQC-SECBINFHSA-N	-1	1	379.460	2.095	20	5		GEBDMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751401604	652345458	/nfs/dbraw/zinc/34/54/58/652345458.db2.gz	BMQOODSMVWZMJY-LDYMZIIASA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl	ZINC000751480618	652355908	/nfs/dbraw/zinc/35/59/08/652355908.db2.gz	ZPEWTQOSEZJRRW-ISVAXAHUSA-N	-1	1	389.792	2.183	20	5		GEBDMM
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1Cl	ZINC000756310703	652496130	/nfs/dbraw/zinc/49/61/30/652496130.db2.gz	RPNMULPFEZDGKM-UHFFFAOYSA-N	-1	1	384.797	2.158	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2(CO)CCC2)s1	ZINC000595409112	652724386	/nfs/dbraw/zinc/72/43/86/652724386.db2.gz	LTWBESDNJFFBEI-AWEZNQCLSA-N	-1	1	383.451	2.234	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c([N+](=O)[O-])n1	ZINC000599468891	652875088	/nfs/dbraw/zinc/87/50/88/652875088.db2.gz	RSIIPZCWKQMWNT-DDTOSNHZSA-N	-1	1	382.829	2.081	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)Br)c2ncccc12	ZINC000808573037	653232166	/nfs/dbraw/zinc/23/21/66/653232166.db2.gz	KWSHUYTYNDOSTE-UHFFFAOYSA-N	-1	1	396.169	2.409	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCNc2ncccn2)c(Cl)cc1Cl	ZINC000809809893	653297178	/nfs/dbraw/zinc/29/71/78/653297178.db2.gz	DEKYCMAWWDGBRB-UHFFFAOYSA-N	-1	1	392.224	2.082	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)NC1CCCC1	ZINC000809812924	653298007	/nfs/dbraw/zinc/29/80/07/653298007.db2.gz	ZKHOFNQGDYJZDJ-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)c(Cl)cc1Cl	ZINC000809818100	653300335	/nfs/dbraw/zinc/30/03/35/653300335.db2.gz	ZOOPXTSYPHYBAM-VIFPVBQESA-N	-1	1	399.252	2.376	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCOC[C@H]2CCOC2)cc1Cl	ZINC000809820408	653301131	/nfs/dbraw/zinc/30/11/31/653301131.db2.gz	WXHXVJKBCGRZOX-SNVBAGLBSA-N	-1	1	396.824	2.109	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC1(C)OCCO1	ZINC000809820183	653301282	/nfs/dbraw/zinc/30/12/82/653301282.db2.gz	PIGHMYBGDHUWIL-VIFPVBQESA-N	-1	1	396.824	2.455	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)cc1Cl	ZINC000809823535	653302394	/nfs/dbraw/zinc/30/23/94/653302394.db2.gz	OKHGWHVQDIFFMS-LLVKDONJSA-N	-1	1	388.804	2.442	20	5		GEBDMM
CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809826479	653303417	/nfs/dbraw/zinc/30/34/17/653303417.db2.gz	HHKPAZHVUXFDQD-SSDOTTSWSA-N	-1	1	385.225	2.379	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)cc1Cl	ZINC000809829756	653304841	/nfs/dbraw/zinc/30/48/41/653304841.db2.gz	LWRMZDKQAYWXFR-NSHDSACASA-N	-1	1	380.806	2.461	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@H]1OC	ZINC000809831126	653305581	/nfs/dbraw/zinc/30/55/81/653305581.db2.gz	QUCHWSGEHGMBNS-IRUJWGPZSA-N	-1	1	399.252	2.372	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2nncn2C2CC2)c(Cl)cc1Cl	ZINC000809839934	653308114	/nfs/dbraw/zinc/30/81/14/653308114.db2.gz	MJBYUJKNZFFENO-UHFFFAOYSA-N	-1	1	392.224	2.307	20	5		GEBDMM
Cc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000776524255	653353854	/nfs/dbraw/zinc/35/38/54/653353854.db2.gz	QDVSCSDBZGYVGK-UHFFFAOYSA-N	-1	1	391.814	2.190	20	5		GEBDMM
CCOC(=O)N1CCC[C@@H]([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000776788624	653377339	/nfs/dbraw/zinc/37/73/39/653377339.db2.gz	CMFRRNIRGMIPLW-WDEREUQCSA-N	-1	1	391.471	2.192	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCSCc1ccnc(Cl)c1	ZINC000776862905	653379563	/nfs/dbraw/zinc/37/95/63/653379563.db2.gz	IYJNLCMVLOTFHN-UHFFFAOYSA-N	-1	1	388.858	2.250	20	5		GEBDMM
O=C([N-]C[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1)C(F)(F)F	ZINC000811856748	653410394	/nfs/dbraw/zinc/41/03/94/653410394.db2.gz	QPPNAIBXXYYZLX-QMMMGPOBSA-N	-1	1	377.348	2.199	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1	ZINC000859368007	653451174	/nfs/dbraw/zinc/45/11/74/653451174.db2.gz	QTXULIXXXMJOQO-JQWIXIFHSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1	ZINC000859368009	653451893	/nfs/dbraw/zinc/45/18/93/653451893.db2.gz	QTXULIXXXMJOQO-ZYHUDNBSSA-N	-1	1	391.243	2.203	20	5		GEBDMM
NC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000780070973	653619977	/nfs/dbraw/zinc/61/99/77/653619977.db2.gz	ASQHCKWOYZYVRM-CYBMUJFWSA-N	-1	1	395.165	2.446	20	5		GEBDMM
CN(C)c1ncccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814989749	653642018	/nfs/dbraw/zinc/64/20/18/653642018.db2.gz	QUPYJHLFUKPOOJ-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000815014400	653643679	/nfs/dbraw/zinc/64/36/79/653643679.db2.gz	MWQWEHSKMOPXEP-ZETCQYMHSA-N	-1	1	382.797	2.396	20	5		GEBDMM
CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815015569	653643682	/nfs/dbraw/zinc/64/36/82/653643682.db2.gz	JTEGBXYBWFKLES-QFIPXVFZSA-N	-1	1	386.854	2.213	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000815019812	653644352	/nfs/dbraw/zinc/64/43/52/653644352.db2.gz	OBLDQIIYAMRBRY-VIFPVBQESA-N	-1	1	396.824	2.455	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCOC[C@H]1CCOC1	ZINC000815019796	653644425	/nfs/dbraw/zinc/64/44/25/653644425.db2.gz	NPOZYGFRMSFYMI-SNVBAGLBSA-N	-1	1	396.824	2.109	20	5		GEBDMM
O=C(Nc1nc(Br)ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2	ZINC000783905530	653686471	/nfs/dbraw/zinc/68/64/71/653686471.db2.gz	WMFQQYZARDWLOV-UHFFFAOYSA-N	-1	1	382.126	2.439	20	5		GEBDMM
Cn1cc(S(=O)(=O)[N-][C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cn1	ZINC000840955167	653703826	/nfs/dbraw/zinc/70/38/26/653703826.db2.gz	SYDZEFAYBGJILB-LLVKDONJSA-N	-1	1	382.295	2.049	20	5		GEBDMM
O=C(OCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1	ZINC000841533835	653728998	/nfs/dbraw/zinc/72/89/98/653728998.db2.gz	DXXQNGLXRAEQQA-UHFFFAOYSA-N	-1	1	383.209	2.133	20	5		GEBDMM
COC(=O)[C@H](CCF)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000845977903	653875857	/nfs/dbraw/zinc/87/58/57/653875857.db2.gz	ZVVQHQSSFGCQOU-QMMMGPOBSA-N	-1	1	389.188	2.081	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CC1	ZINC000845993221	653878278	/nfs/dbraw/zinc/87/82/78/653878278.db2.gz	XKPFELKVOJGDHD-JTQLQIEISA-N	-1	1	376.818	2.116	20	5		GEBDMM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795907948	653976776	/nfs/dbraw/zinc/97/67/76/653976776.db2.gz	GYJRWAZRPGPPQL-UHFFFAOYSA-N	-1	1	399.238	2.324	20	5		GEBDMM
CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000828076313	654021029	/nfs/dbraw/zinc/02/10/29/654021029.db2.gz	VKMIGPYEZXLQEI-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(OC)OC	ZINC000849406643	654025233	/nfs/dbraw/zinc/02/52/33/654025233.db2.gz	MAXNYSSKEXGJEQ-SECBINFHSA-N	-1	1	397.247	2.033	20	5		GEBDMM
CO[C@@H]1CCC[C@H]([C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000849423281	654030934	/nfs/dbraw/zinc/03/09/34/654030934.db2.gz	LIHBVCOEOHVADC-UHTWSYAYSA-N	-1	1	392.861	2.093	20	5		GEBDMM
CNC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCC1	ZINC000830338362	654111772	/nfs/dbraw/zinc/11/17/72/654111772.db2.gz	DAOHYSCUEFSPPC-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830787169	654142193	/nfs/dbraw/zinc/14/21/93/654142193.db2.gz	QZMOXFPWHHFKOE-IONNQARKSA-N	-1	1	396.252	2.224	20	5		GEBDMM
CC(C)C(=O)NCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830953822	654152316	/nfs/dbraw/zinc/15/23/16/654152316.db2.gz	OKMDWGRLMZJDPQ-UHFFFAOYSA-N	-1	1	398.268	2.342	20	5		GEBDMM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1F	ZINC000800929439	654168362	/nfs/dbraw/zinc/16/83/62/654168362.db2.gz	GCKIDIHXFANGST-UHFFFAOYSA-N	-1	1	392.361	2.077	20	5		GEBDMM
CC(C)(C)N1C[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O	ZINC000851829029	654185681	/nfs/dbraw/zinc/18/56/81/654185681.db2.gz	VDJPXSSIOCXBQS-JTQLQIEISA-N	-1	1	389.861	2.174	20	5		GEBDMM
CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000851851674	654191914	/nfs/dbraw/zinc/19/19/14/654191914.db2.gz	DDKQYUWYDFSEMF-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nccn1C	ZINC000851856255	654192333	/nfs/dbraw/zinc/19/23/33/654192333.db2.gz	MAVIFQDPIQRVBY-MRVPVSSYSA-N	-1	1	389.231	2.130	20	5		GEBDMM
COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000851873878	654196818	/nfs/dbraw/zinc/19/68/18/654196818.db2.gz	RTSGXGBPEHFYMA-LJGSYFOKSA-N	-1	1	383.209	2.132	20	5		GEBDMM
COC(CCCC(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])OC	ZINC000801696458	654203904	/nfs/dbraw/zinc/20/39/04/654203904.db2.gz	GEZZBANEWTWLOM-UHFFFAOYSA-N	-1	1	375.447	2.084	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2(CF)CCOCC2)c1	ZINC000831998489	654223460	/nfs/dbraw/zinc/22/34/60/654223460.db2.gz	WYUWJWJVOAIMJT-UHFFFAOYSA-N	-1	1	397.222	2.154	20	5		GEBDMM
CCOC(=O)C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccncc1	ZINC000832671661	654285917	/nfs/dbraw/zinc/28/59/17/654285917.db2.gz	FSPLELBEKAUPIG-LBPRGKRZSA-N	-1	1	385.423	2.024	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1	ZINC000058496482	531832650	/nfs/dbraw/zinc/83/26/50/531832650.db2.gz	LVXUEUSUJMIEFT-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1cscn1	ZINC000173513215	532016682	/nfs/dbraw/zinc/01/66/82/532016682.db2.gz	WGXAELLYGQPSLT-UHFFFAOYSA-N	-1	1	392.256	2.335	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000135110369	532267915	/nfs/dbraw/zinc/26/79/15/532267915.db2.gz	BQNTVZCAYWZWQW-BDAKNGLRSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1nn[n-]n1	ZINC000136740810	532286229	/nfs/dbraw/zinc/28/62/29/532286229.db2.gz	YEJWKWLPPDIFNW-LLVKDONJSA-N	-1	1	383.206	2.071	20	5		GEBDMM
CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000146710929	532299023	/nfs/dbraw/zinc/29/90/23/532299023.db2.gz	RELHWQGNCRQWEV-UHFFFAOYSA-N	-1	1	389.861	2.174	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000190652525	532357195	/nfs/dbraw/zinc/35/71/95/532357195.db2.gz	CYUVJYOWOJRVKE-FOGDFJRCSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CC[C@@](O)(C(F)(F)F)C1	ZINC000589923249	532364429	/nfs/dbraw/zinc/36/44/29/532364429.db2.gz	UTYZFXNDQCEWGY-KWQFWETISA-N	-1	1	388.751	2.372	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589922935	532364811	/nfs/dbraw/zinc/36/48/11/532364811.db2.gz	RFMIVZJTLMFVRG-CPCISQLKSA-N	-1	1	388.751	2.372	20	5		GEBDMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000463248194	532371160	/nfs/dbraw/zinc/37/11/60/532371160.db2.gz	MQQCDVBUTOFYLV-UHFFFAOYSA-N	-1	1	392.846	2.109	20	5		GEBDMM
C[C@H](CCCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295386659	532442142	/nfs/dbraw/zinc/44/21/42/532442142.db2.gz	UHYDUIDUMUTCDT-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295552380	532458962	/nfs/dbraw/zinc/45/89/62/532458962.db2.gz	SIQLPIIPTSDFKC-QMMMGPOBSA-N	-1	1	381.248	2.185	20	5		GEBDMM
C[C@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295656761	532468263	/nfs/dbraw/zinc/46/82/63/532468263.db2.gz	FWPNIEAQHMEIGN-SECBINFHSA-N	-1	1	381.248	2.187	20	5		GEBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2ccc(Br)cc2C1	ZINC000374795183	532519394	/nfs/dbraw/zinc/51/93/94/532519394.db2.gz	ULKSISZFBQSPLL-UHFFFAOYSA-N	-1	1	394.181	2.493	20	5		GEBDMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296062973	532498544	/nfs/dbraw/zinc/49/85/44/532498544.db2.gz	PCJLBXBJPNDZAM-YFKPBYRVSA-N	-1	1	380.213	2.368	20	5		GEBDMM
C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000520898545	532500605	/nfs/dbraw/zinc/50/06/05/532500605.db2.gz	CWFVHHWDTUTOCK-SSDOTTSWSA-N	-1	1	376.740	2.494	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)s1	ZINC000432286300	532532227	/nfs/dbraw/zinc/53/22/27/532532227.db2.gz	YEDCTXBHEIVMEN-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1	ZINC000595356901	532559824	/nfs/dbraw/zinc/55/98/24/532559824.db2.gz	VMIZLSSRZAOXFB-JTQLQIEISA-N	-1	1	392.275	2.120	20	5		GEBDMM
C/C=C/C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OCC	ZINC000433885339	532583230	/nfs/dbraw/zinc/58/32/30/532583230.db2.gz	NDTDJYQELWBFTB-TZNOJPMFSA-N	-1	1	376.818	2.424	20	5		GEBDMM
CN1C(=O)[C@H]([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])Cc2ccccc21	ZINC000596363672	532591734	/nfs/dbraw/zinc/59/17/34/532591734.db2.gz	UXGDTOOZUTYJRY-SNVBAGLBSA-N	-1	1	381.435	2.059	20	5		GEBDMM
CCOC(=O)N1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000263648264	532631785	/nfs/dbraw/zinc/63/17/85/532631785.db2.gz	AOVSQDBVYIUNBR-UHFFFAOYSA-N	-1	1	391.833	2.147	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599460009	532660229	/nfs/dbraw/zinc/66/02/29/532660229.db2.gz	PSIAOYUAPVOVRL-VXFNFUGZSA-N	-1	1	393.259	2.448	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)c([N+](=O)[O-])n1	ZINC000532854972	532658140	/nfs/dbraw/zinc/65/81/40/532658140.db2.gz	ZSQYTDDFCKDCHX-UHFFFAOYSA-N	-1	1	388.446	2.411	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c([N+](=O)[O-])n1	ZINC000599374689	532658823	/nfs/dbraw/zinc/65/88/23/532658823.db2.gz	KQSYQNAYFINNMU-IACUBPJLSA-N	-1	1	382.829	2.081	20	5		GEBDMM
C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000285564812	532691497	/nfs/dbraw/zinc/69/14/97/532691497.db2.gz	JIBRXTJLEMEFRG-GMSGAONNSA-N	-1	1	397.222	2.200	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H](COC)c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000487335374	532694035	/nfs/dbraw/zinc/69/40/35/532694035.db2.gz	HHKSWQHPTHSMBK-GFCCVEGCSA-N	-1	1	388.833	2.131	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000266242310	532710330	/nfs/dbraw/zinc/71/03/30/532710330.db2.gz	WJTGWODPVMEADE-DTWKUNHWSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1	ZINC000267616334	532748455	/nfs/dbraw/zinc/74/84/55/532748455.db2.gz	JJGHZVNZAAMGDD-MRVPVSSYSA-N	-1	1	375.403	2.376	20	5		GEBDMM
CCc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1	ZINC000275848699	532884146	/nfs/dbraw/zinc/88/41/46/532884146.db2.gz	GMOMBUQNGFAPFG-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
Cn1cc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)c(C(F)(F)F)n1	ZINC000293660081	532929980	/nfs/dbraw/zinc/92/99/80/532929980.db2.gz	YOYFJGDIUNEXHY-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1	ZINC000738369655	598956606	/nfs/dbraw/zinc/95/66/06/598956606.db2.gz	LIHZJXHUYHBRGY-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1	ZINC000738369655	598956607	/nfs/dbraw/zinc/95/66/07/598956607.db2.gz	LIHZJXHUYHBRGY-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1nc(-c2ccncc2)cs1	ZINC000823625456	607305232	/nfs/dbraw/zinc/30/52/32/607305232.db2.gz	WDWSYNJQFCTALX-UHFFFAOYSA-N	-1	1	395.408	2.343	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1nc(-c2ccncc2)cs1	ZINC000823625456	607305233	/nfs/dbraw/zinc/30/52/33/607305233.db2.gz	WDWSYNJQFCTALX-UHFFFAOYSA-N	-1	1	395.408	2.343	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)ccc1[N+](=O)[O-]	ZINC000822211592	607328021	/nfs/dbraw/zinc/32/80/21/607328021.db2.gz	GLLRCMJLPXXEAE-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
COc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c(OC)c1OC	ZINC000821821172	607346940	/nfs/dbraw/zinc/34/69/40/607346940.db2.gz	AVQNDAHRGUYPQW-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
COc1cc(OC)c(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c(OC)c1	ZINC000826180949	607452116	/nfs/dbraw/zinc/45/21/16/607452116.db2.gz	FKRUUXSFXYETAE-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
COc1cc(OC)c(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c(OC)c1	ZINC000826180949	607452118	/nfs/dbraw/zinc/45/21/18/607452118.db2.gz	FKRUUXSFXYETAE-UHFFFAOYSA-N	-1	1	386.368	2.413	20	5		GEBDMM
O=C(c1ccsc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000826475217	607452465	/nfs/dbraw/zinc/45/24/65/607452465.db2.gz	YQJVCKQAAJHKOW-UHFFFAOYSA-N	-1	1	399.436	2.189	20	5		GEBDMM
O=C(c1ccsc1)N1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000826475217	607452467	/nfs/dbraw/zinc/45/24/67/607452467.db2.gz	YQJVCKQAAJHKOW-UHFFFAOYSA-N	-1	1	399.436	2.189	20	5		GEBDMM
COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C(=O)[O-]	ZINC000831328507	600689566	/nfs/dbraw/zinc/68/95/66/600689566.db2.gz	VHSYRZZZUKBZJY-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
Cc1cc(N2CCN(C[C@H](O)c3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000832891214	602316881	/nfs/dbraw/zinc/31/68/81/602316881.db2.gz	OWDWSQUJIUCYPK-SFHVURJKSA-N	-1	1	385.420	2.457	20	5		GEBDMM
O=C([O-])NC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1	ZINC000740610491	602542183	/nfs/dbraw/zinc/54/21/83/602542183.db2.gz	GGTQNDKSBXIKDW-CQSZACIVSA-N	-1	1	375.385	2.417	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1	ZINC000826499488	607572691	/nfs/dbraw/zinc/57/26/91/607572691.db2.gz	KMQZZZSVDWMLAH-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1	ZINC000826499488	607572692	/nfs/dbraw/zinc/57/26/92/607572692.db2.gz	KMQZZZSVDWMLAH-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CCCCCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825272192	607592214	/nfs/dbraw/zinc/59/22/14/607592214.db2.gz	YNIALUSWCQAAAT-UHFFFAOYSA-N	-1	1	382.446	2.364	20	5		GEBDMM
CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)c1ccccc1	ZINC000825149361	607600624	/nfs/dbraw/zinc/60/06/24/607600624.db2.gz	XJTBXSYIQBUBPA-LBPRGKRZSA-N	-1	1	388.409	2.205	20	5		GEBDMM
CC(C)N(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824288955	607604369	/nfs/dbraw/zinc/60/43/69/607604369.db2.gz	RHRDPPPNTWKCSB-UHFFFAOYSA-N	-1	1	380.430	2.117	20	5		GEBDMM
CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825060210	607608114	/nfs/dbraw/zinc/60/81/14/607608114.db2.gz	OQTNNTVNDXJSDT-WDEREUQCSA-N	-1	1	394.457	2.363	20	5		GEBDMM
C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824925257	607616664	/nfs/dbraw/zinc/61/66/64/607616664.db2.gz	CHYRSPUCMDGSEG-NEPJUHHUSA-N	-1	1	394.457	2.270	20	5		GEBDMM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000830138186	603554755	/nfs/dbraw/zinc/55/47/55/603554755.db2.gz	NCOWDIVRSQMRGA-UHFFFAOYSA-N	-1	1	376.413	2.449	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1-c1nn[n-]n1	ZINC000826500130	607648267	/nfs/dbraw/zinc/64/82/67/607648267.db2.gz	MHAQJFDVVLROPP-NWDGAFQWSA-N	-1	1	392.441	2.022	20	5		GEBDMM
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000833627549	605165732	/nfs/dbraw/zinc/16/57/32/605165732.db2.gz	YJBYZKPBXPOJMZ-SNVBAGLBSA-N	-1	1	389.330	2.235	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21	ZINC000834177853	605321275	/nfs/dbraw/zinc/32/12/75/605321275.db2.gz	DADROQIORCNRIX-QLFBSQMISA-N	-1	1	386.412	2.179	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000824453806	605390678	/nfs/dbraw/zinc/39/06/78/605390678.db2.gz	XIOCLUJHLCYLJT-UHFFFAOYSA-N	-1	1	379.417	2.436	20	5		GEBDMM
CC(C)CN(C1CCN(C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833487437	605391026	/nfs/dbraw/zinc/39/10/26/605391026.db2.gz	CZENXJADDANDID-UHFFFAOYSA-N	-1	1	399.469	2.034	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1	ZINC000823639554	606146011	/nfs/dbraw/zinc/14/60/11/606146011.db2.gz	DJHSZNRDTZRWCM-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1cccc(N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)c1	ZINC000821873686	606644319	/nfs/dbraw/zinc/64/43/19/606644319.db2.gz	WRSXKJKKIZVIRK-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
O=C(NC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)C1CCCCC1	ZINC000823154756	606646203	/nfs/dbraw/zinc/64/62/03/606646203.db2.gz	JDTXHUZWDZJXPR-UHFFFAOYSA-N	-1	1	399.455	2.440	20	5		GEBDMM
CCOC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccccc1	ZINC000821319216	606702934	/nfs/dbraw/zinc/70/29/34/606702934.db2.gz	CCHJSXNJBXPAMO-ZDUSSCGKSA-N	-1	1	397.395	2.004	20	5		GEBDMM
CCOC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccccc1	ZINC000821319216	606702936	/nfs/dbraw/zinc/70/29/36/606702936.db2.gz	CCHJSXNJBXPAMO-ZDUSSCGKSA-N	-1	1	397.395	2.004	20	5		GEBDMM
COc1ccc2[nH]cc(CCNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2c1	ZINC000821849784	606709754	/nfs/dbraw/zinc/70/97/54/606709754.db2.gz	QNKFFEBSGIQRDC-UHFFFAOYSA-N	-1	1	380.368	2.314	20	5		GEBDMM
COc1ccc2[nH]cc(CCNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2c1	ZINC000821849784	606709756	/nfs/dbraw/zinc/70/97/56/606709756.db2.gz	QNKFFEBSGIQRDC-UHFFFAOYSA-N	-1	1	380.368	2.314	20	5		GEBDMM
CC(C)Oc1ccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820155466	606710450	/nfs/dbraw/zinc/71/04/50/606710450.db2.gz	QGHFCHYGITULKG-AWEZNQCLSA-N	-1	1	385.384	2.103	20	5		GEBDMM
CC(C)Oc1ccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820155466	606710451	/nfs/dbraw/zinc/71/04/51/606710451.db2.gz	QGHFCHYGITULKG-AWEZNQCLSA-N	-1	1	385.384	2.103	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nccn1CCc1ccccc1	ZINC000823624590	606718654	/nfs/dbraw/zinc/71/86/54/606718654.db2.gz	DUAHPILBJNDWOR-UHFFFAOYSA-N	-1	1	391.395	2.221	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nccn1CCc1ccccc1	ZINC000823624590	606718655	/nfs/dbraw/zinc/71/86/55/606718655.db2.gz	DUAHPILBJNDWOR-UHFFFAOYSA-N	-1	1	391.395	2.221	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(c2nc3ccccc3s2)C1	ZINC000823614449	606719717	/nfs/dbraw/zinc/71/97/17/606719717.db2.gz	PRQOSKMFPYLPKQ-UHFFFAOYSA-N	-1	1	380.393	2.383	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(c2nc3ccccc3s2)C1	ZINC000823614449	606719718	/nfs/dbraw/zinc/71/97/18/606719718.db2.gz	PRQOSKMFPYLPKQ-UHFFFAOYSA-N	-1	1	380.393	2.383	20	5		GEBDMM
CCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821230918	606730632	/nfs/dbraw/zinc/73/06/32/606730632.db2.gz	VDZKPYVYRVYDHL-UHFFFAOYSA-N	-1	1	394.438	2.047	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2Cl)c1-c1nn[n-]n1	ZINC000823648630	607154781	/nfs/dbraw/zinc/15/47/81/607154781.db2.gz	ZMZRKJXALNVOSP-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000825718005	607866715	/nfs/dbraw/zinc/86/67/15/607866715.db2.gz	SWHGDNOVMACXOV-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000825718005	607866716	/nfs/dbraw/zinc/86/67/16/607866716.db2.gz	SWHGDNOVMACXOV-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
CC(C)(C)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)s1	ZINC000824131172	607929002	/nfs/dbraw/zinc/92/90/02/607929002.db2.gz	VUJKOVHLXSPLCH-UHFFFAOYSA-N	-1	1	390.429	2.359	20	5		GEBDMM
CC(C)(C)c1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(-c2nn[n-]n2)s1	ZINC000824131172	607929003	/nfs/dbraw/zinc/92/90/03/607929003.db2.gz	VUJKOVHLXSPLCH-UHFFFAOYSA-N	-1	1	390.429	2.359	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1c[nH]nc1-c1nccs1	ZINC000446966947	649991156	/nfs/dbraw/zinc/99/11/56/649991156.db2.gz	QMZHTUTVAFSPOM-UHFFFAOYSA-N	-1	1	379.423	2.426	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCOC1	ZINC000503830202	650422989	/nfs/dbraw/zinc/42/29/89/650422989.db2.gz	PIOUUBWJIDRFHI-NXEZZACHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CN(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Cl	ZINC000525184964	650651204	/nfs/dbraw/zinc/65/12/04/650651204.db2.gz	KZIGEOHTHBUGRR-ZDUSSCGKSA-N	-1	1	384.845	2.224	20	5		GEBDMM
CC(C)n1nccc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000483869718	650682575	/nfs/dbraw/zinc/68/25/75/650682575.db2.gz	RFOCRCANBNIRQI-HZMBPMFUSA-N	-1	1	386.455	2.242	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)no1	ZINC000533006696	650755565	/nfs/dbraw/zinc/75/55/65/650755565.db2.gz	AWPGGBJXVSAPKF-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1	ZINC000029971611	642472462	/nfs/dbraw/zinc/47/24/62/642472462.db2.gz	LRZLBDBNJSRNCT-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CCOC(=O)CSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1	ZINC000491512289	650786500	/nfs/dbraw/zinc/78/65/00/650786500.db2.gz	AVFPEKBABMBSIN-UHFFFAOYSA-N	-1	1	383.411	2.057	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000102411789	643126702	/nfs/dbraw/zinc/12/67/02/643126702.db2.gz	LQTZLTUYYOTVOF-MNOVXSKESA-N	-1	1	389.861	2.316	20	5		GEBDMM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1	ZINC000113304267	643394259	/nfs/dbraw/zinc/39/42/59/643394259.db2.gz	YQLATVZAIZXZTB-UHFFFAOYSA-N	-1	1	389.861	2.175	20	5		GEBDMM
CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000119113700	643537240	/nfs/dbraw/zinc/53/72/40/643537240.db2.gz	WHOBKLVPUCHUNL-LBPRGKRZSA-N	-1	1	395.275	2.433	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c1F	ZINC000122946829	643662544	/nfs/dbraw/zinc/66/25/44/643662544.db2.gz	LBDAZCZUGHUNKC-UHFFFAOYSA-N	-1	1	375.765	2.195	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000152402708	643967242	/nfs/dbraw/zinc/96/72/42/643967242.db2.gz	HPDZSUKYPSKWLZ-JTQLQIEISA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1(CO)CCCC1	ZINC000178876528	644443166	/nfs/dbraw/zinc/44/31/66/644443166.db2.gz	HRNFFYTVLQREHL-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
CCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[n-]n1	ZINC000268216254	645954563	/nfs/dbraw/zinc/95/45/63/645954563.db2.gz	POICBAUBBPZWRM-MRVPVSSYSA-N	-1	1	387.169	2.281	20	5		GEBDMM
O=C(Nc1cnc(N2CCOCC2)c(Br)c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000281890997	646801301	/nfs/dbraw/zinc/80/13/01/646801301.db2.gz	DTLPQDOSNVAJNE-UHFFFAOYSA-N	-1	1	396.201	2.169	20	5		GEBDMM
O=C([N-]CC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1)C(F)(F)F	ZINC000282019623	646810526	/nfs/dbraw/zinc/81/05/26/646810526.db2.gz	XLZFATCACJENFM-UHFFFAOYSA-N	-1	1	377.348	2.199	20	5		GEBDMM
O=C1OCCN1CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000295743875	647238834	/nfs/dbraw/zinc/23/88/34/647238834.db2.gz	QACKWDLDVNPOTP-UHFFFAOYSA-N	-1	1	398.224	2.022	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOCC(F)F)c1Cl	ZINC000296172319	647246604	/nfs/dbraw/zinc/24/66/04/647246604.db2.gz	KZISRAYYDSVLAL-UHFFFAOYSA-N	-1	1	379.168	2.462	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCOC(F)(F)F	ZINC000416471290	648137245	/nfs/dbraw/zinc/13/72/45/648137245.db2.gz	PINZKUCQPSDVCB-UHFFFAOYSA-N	-1	1	382.238	2.428	20	5		GEBDMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000416562034	648172593	/nfs/dbraw/zinc/17/25/93/648172593.db2.gz	VOTGHKKBEKJXNG-KOLCDFICSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCn1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1	ZINC000416591937	648179560	/nfs/dbraw/zinc/17/95/60/648179560.db2.gz	UYHCVCZAWIXKLP-UHFFFAOYSA-N	-1	1	378.332	2.309	20	5		GEBDMM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1	ZINC000425211978	648671790	/nfs/dbraw/zinc/67/17/90/648671790.db2.gz	YTEVQAZCMQRJHN-VIFPVBQESA-N	-1	1	385.423	2.186	20	5		GEBDMM
Cc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000548202416	651067920	/nfs/dbraw/zinc/06/79/20/651067920.db2.gz	LKWSWCDXQQWTPP-UHFFFAOYSA-N	-1	1	391.814	2.190	20	5		GEBDMM
CCN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C	ZINC000729489769	651570320	/nfs/dbraw/zinc/57/03/20/651570320.db2.gz	LFJHUNKHFOCFBF-UHFFFAOYSA-N	-1	1	379.460	2.192	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1csc(Br)c1	ZINC000610260828	651651627	/nfs/dbraw/zinc/65/16/27/651651627.db2.gz	REDMQRNYZDSENC-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)c1c(F)cccc1F	ZINC000751423386	652347546	/nfs/dbraw/zinc/34/75/46/652347546.db2.gz	PDXMHBVYOLXGST-NSHDSACASA-N	-1	1	376.312	2.024	20	5		GEBDMM
CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751467358	652353852	/nfs/dbraw/zinc/35/38/52/652353852.db2.gz	MSGHWQVIHVLASG-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751467356	652353914	/nfs/dbraw/zinc/35/39/14/652353914.db2.gz	MSGHWQVIHVLASG-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC1CCCCC1	ZINC000751977146	652374293	/nfs/dbraw/zinc/37/42/93/652374293.db2.gz	LKVUSWPHFOWGKF-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000592084632	652584528	/nfs/dbraw/zinc/58/45/28/652584528.db2.gz	WGCUUCSSHDZPHX-KOLCDFICSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@]1(O)CCCOC1	ZINC000595365825	652715666	/nfs/dbraw/zinc/71/56/66/652715666.db2.gz	FRLZZFBYWGXACI-OAHLLOKOSA-N	-1	1	392.861	2.094	20	5		GEBDMM
COC(=O)[C@](C)([N-]S(=O)(=O)c1ccc(C)s1)c1cccc([N+](=O)[O-])c1	ZINC000599488373	652876443	/nfs/dbraw/zinc/87/64/43/652876443.db2.gz	YJRFQWRWWYVJNW-OAHLLOKOSA-N	-1	1	384.435	2.331	20	5		GEBDMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000769909390	653189356	/nfs/dbraw/zinc/18/93/56/653189356.db2.gz	ULGYLJFONMOQPE-ZCFIWIBFSA-N	-1	1	391.203	2.088	20	5		GEBDMM
CC(C)(C)OC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809821677	653301723	/nfs/dbraw/zinc/30/17/23/653301723.db2.gz	PWZVDPPQPFUONN-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)cc1Cl	ZINC000809829879	653305072	/nfs/dbraw/zinc/30/50/72/653305072.db2.gz	NRMAGMHVKNEWCM-VIFPVBQESA-N	-1	1	394.808	2.351	20	5		GEBDMM
CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809829611	653305125	/nfs/dbraw/zinc/30/51/25/653305125.db2.gz	FFPBCJLSMORXCC-OIBJUYFYSA-N	-1	1	396.252	2.095	20	5		GEBDMM
CC1(C)OCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CO1	ZINC000809830988	653305686	/nfs/dbraw/zinc/30/56/86/653305686.db2.gz	LZRXSJSVANIEGX-UHFFFAOYSA-N	-1	1	385.225	2.331	20	5		GEBDMM
CC[C@@]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)(C(N)=O)C(C)C	ZINC000809831963	653306056	/nfs/dbraw/zinc/30/60/56/653306056.db2.gz	KSBSNHSQHZEEAU-ZDUSSCGKSA-N	-1	1	398.268	2.470	20	5		GEBDMM
CCOC1CC(O)(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000809840849	653308402	/nfs/dbraw/zinc/30/84/02/653308402.db2.gz	SSQODWMQQAOBDZ-UHFFFAOYSA-N	-1	1	399.252	2.110	20	5		GEBDMM
CCOC(=O)N1CCC[C@@H]([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000776788619	653377384	/nfs/dbraw/zinc/37/73/84/653377384.db2.gz	CMFRRNIRGMIPLW-GHMZBOCLSA-N	-1	1	391.471	2.192	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000859362478	653450702	/nfs/dbraw/zinc/45/07/02/653450702.db2.gz	YVZHRKZAFSDMSD-UHFFFAOYSA-N	-1	1	389.861	2.175	20	5		GEBDMM
COc1ccncc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000814278632	653626447	/nfs/dbraw/zinc/62/64/47/653626447.db2.gz	OXQRHGGMHWMOIO-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCOCC(F)(F)F	ZINC000814982419	653641778	/nfs/dbraw/zinc/64/17/78/653641778.db2.gz	ZORLEZHWUNCKGG-UHFFFAOYSA-N	-1	1	380.703	2.245	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(F)(F)F	ZINC000815013116	653643446	/nfs/dbraw/zinc/64/34/46/653643446.db2.gz	QVXTYIJINSUXJB-UHFFFAOYSA-N	-1	1	393.746	2.160	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1	ZINC000815016030	653643667	/nfs/dbraw/zinc/64/36/67/653643667.db2.gz	WFEZVLJWLFXSBA-UHFFFAOYSA-N	-1	1	392.767	2.497	20	5		GEBDMM
CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815019685	653644472	/nfs/dbraw/zinc/64/44/72/653644472.db2.gz	RBSVVXDESGGWIV-QMMMGPOBSA-N	-1	1	382.797	2.253	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1	ZINC000815022972	653644864	/nfs/dbraw/zinc/64/48/64/653644864.db2.gz	FRTVNXHWYQSQKB-LLVKDONJSA-N	-1	1	388.804	2.442	20	5		GEBDMM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1	ZINC000841541467	653730288	/nfs/dbraw/zinc/73/02/88/653730288.db2.gz	ZNBUMDASEOCJMS-UHFFFAOYSA-N	-1	1	391.812	2.281	20	5		GEBDMM
CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000841550811	653731588	/nfs/dbraw/zinc/73/15/88/653731588.db2.gz	WWRLMAJNQVVJGC-KOLCDFICSA-N	-1	1	397.222	2.342	20	5		GEBDMM
COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000841554735	653732238	/nfs/dbraw/zinc/73/22/38/653732238.db2.gz	QNXKOBSRLYZFGA-SECBINFHSA-N	-1	1	381.248	2.308	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H](O)C(C)C	ZINC000841562223	653734527	/nfs/dbraw/zinc/73/45/27/653734527.db2.gz	WLBVGHUMOXRVJB-GWCFXTLKSA-N	-1	1	395.275	2.431	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)cc1Cl	ZINC000841571482	653736513	/nfs/dbraw/zinc/73/65/13/653736513.db2.gz	DJOJKCHISNWAQG-ZETCQYMHSA-N	-1	1	387.767	2.005	20	5		GEBDMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1Cl	ZINC000823648295	653875279	/nfs/dbraw/zinc/87/52/79/653875279.db2.gz	TZXDWQAKRWZRPB-UHFFFAOYSA-N	-1	1	380.773	2.229	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)cc1F	ZINC000867515017	653943427	/nfs/dbraw/zinc/94/34/27/653943427.db2.gz	GNAJPKKAQCUXGL-OLZOCXBDSA-N	-1	1	380.344	2.135	20	5		GEBDMM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795852998	653970945	/nfs/dbraw/zinc/97/09/45/653970945.db2.gz	PMXXHRDMGPNGRL-GFCCVEGCSA-N	-1	1	399.238	2.182	20	5		GEBDMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795855357	653971487	/nfs/dbraw/zinc/97/14/87/653971487.db2.gz	JKHOVRWKKZBPKD-YUMQZZPRSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000848510001	653984417	/nfs/dbraw/zinc/98/44/17/653984417.db2.gz	NOBOXBIJRZBBNP-LBPRGKRZSA-N	-1	1	376.406	2.379	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(OC)OC	ZINC000849407640	654025577	/nfs/dbraw/zinc/02/55/77/654025577.db2.gz	UFPGVALGRIRUBB-VIFPVBQESA-N	-1	1	397.247	2.033	20	5		GEBDMM
COC[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC	ZINC000849415211	654027611	/nfs/dbraw/zinc/02/76/11/654027611.db2.gz	JDRLNDLVDRLNEF-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ncnn21	ZINC000849424691	654031436	/nfs/dbraw/zinc/03/14/36/654031436.db2.gz	YEBPPYJNMPTSGA-HZGVNTEJSA-N	-1	1	392.224	2.477	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1SCCS1	ZINC000851832672	654186936	/nfs/dbraw/zinc/18/69/36/654186936.db2.gz	LITZENJNFCMAOA-UHFFFAOYSA-N	-1	1	399.313	2.442	20	5		GEBDMM
CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C	ZINC000831981953	654222136	/nfs/dbraw/zinc/22/21/36/654222136.db2.gz	PNCOVFHARKTZEM-ZDUSSCGKSA-N	-1	1	377.850	2.029	20	5		GEBDMM
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl	ZINC000873935572	654485072	/nfs/dbraw/zinc/48/50/72/654485072.db2.gz	IYYMIJYCUUOMCW-UHFFFAOYSA-N	-1	1	390.826	2.453	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000152395606	531548317	/nfs/dbraw/zinc/54/83/17/531548317.db2.gz	WRCGWYXZHMETQY-JTQLQIEISA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1CCc2sccc2C1	ZINC000053673381	531769179	/nfs/dbraw/zinc/76/91/79/531769179.db2.gz	GRUSENHJFCGJTJ-UHFFFAOYSA-N	-1	1	385.442	2.132	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)Cc2c[nH]c3ccccc23)s1	ZINC000161255226	531830153	/nfs/dbraw/zinc/83/01/53/531830153.db2.gz	IZUHTNUUYHYQDT-NSHDSACASA-N	-1	1	381.435	2.020	20	5		GEBDMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120831945	531998216	/nfs/dbraw/zinc/99/82/16/531998216.db2.gz	MNEZTGLFEVPWDC-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000182807721	532317993	/nfs/dbraw/zinc/31/79/93/532317993.db2.gz	YVYJWPVYKVAHIS-VIFPVBQESA-N	-1	1	395.275	2.433	20	5		GEBDMM
Cc1cccc(C[C@H](CO)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000188382909	532347883	/nfs/dbraw/zinc/34/78/83/532347883.db2.gz	DZSZKWCDYVZSAI-CYBMUJFWSA-N	-1	1	384.841	2.439	20	5		GEBDMM
COc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000464196395	532391666	/nfs/dbraw/zinc/39/16/66/532391666.db2.gz	ZNYMDHWDOANEFQ-UHFFFAOYSA-N	-1	1	384.797	2.418	20	5		GEBDMM
C[C@H](CCO)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295149630	532409195	/nfs/dbraw/zinc/40/91/95/532409195.db2.gz	AVXZJZCCKFHFPN-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@@H](CCCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295386662	532442765	/nfs/dbraw/zinc/44/27/65/532442765.db2.gz	UHYDUIDUMUTCDT-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)s1	ZINC000428414141	532451640	/nfs/dbraw/zinc/45/16/40/532451640.db2.gz	SJPDLHTVBPOFHO-WFASDCNBSA-N	-1	1	386.426	2.240	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n(C)n1	ZINC000296051369	532496576	/nfs/dbraw/zinc/49/65/76/532496576.db2.gz	OPVURMNXGIHAAC-UHFFFAOYSA-N	-1	1	379.225	2.422	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(Br)cn1	ZINC000431626300	532518977	/nfs/dbraw/zinc/51/89/77/532518977.db2.gz	AALKUPGNGOVBNN-ZCFIWIBFSA-N	-1	1	393.244	2.248	20	5		GEBDMM
C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296417514	532520509	/nfs/dbraw/zinc/52/05/09/532520509.db2.gz	URIPTKGLLXGIFS-RKDXNWHRSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])n1	ZINC000533175300	532663265	/nfs/dbraw/zinc/66/32/65/532663265.db2.gz	ONKNKJKXJDNONI-GFCCVEGCSA-N	-1	1	388.833	2.131	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O	ZINC000377287016	532648240	/nfs/dbraw/zinc/64/82/40/532648240.db2.gz	CLNMBUNKRBTWNU-IAQYHMDHSA-N	-1	1	384.797	2.021	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)c(C(F)(F)F)c1	ZINC000535248439	532678198	/nfs/dbraw/zinc/67/81/98/532678198.db2.gz	VZBLSAXUVNIZSB-LURJTMIESA-N	-1	1	396.265	2.205	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000266230789	532711468	/nfs/dbraw/zinc/71/14/68/532711468.db2.gz	UMJIPHHSVMWBCH-UHFFFAOYSA-N	-1	1	378.834	2.112	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000286041897	532726026	/nfs/dbraw/zinc/72/60/26/532726026.db2.gz	QMXLWSKFICJUSR-YUMQZZPRSA-N	-1	1	397.222	2.200	20	5		GEBDMM
O=C(NCc1cn2cc(Br)ccc2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445183879	532752411	/nfs/dbraw/zinc/75/24/11/532752411.db2.gz	OOYWFDZCINGVTH-UHFFFAOYSA-N	-1	1	392.169	2.036	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCO[C@H]1CCCCO1	ZINC000289064893	532846543	/nfs/dbraw/zinc/84/65/43/532846543.db2.gz	FFGYNJBTVCAMFV-ZDUSSCGKSA-N	-1	1	378.834	2.460	20	5		GEBDMM
O=C1CCCN1CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000289236602	532851026	/nfs/dbraw/zinc/85/10/26/532851026.db2.gz	VXOMRCALOCRYRQ-UHFFFAOYSA-N	-1	1	396.252	2.192	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ncnn1C	ZINC000289847100	532866224	/nfs/dbraw/zinc/86/62/24/532866224.db2.gz	MCYXXPCGKQKGBY-LURJTMIESA-N	-1	1	380.213	2.070	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c(Cl)cc1Cl	ZINC000290647689	532885758	/nfs/dbraw/zinc/88/57/58/532885758.db2.gz	DUYAHXRVPANDIA-NSHDSACASA-N	-1	1	387.266	2.048	20	5		GEBDMM
C[N@@H+]1CC=C(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000290840408	532890226	/nfs/dbraw/zinc/89/02/26/532890226.db2.gz	VLQFJEOMUUSBFW-UHFFFAOYSA-N	-1	1	380.253	2.442	20	5		GEBDMM
O=c1c(-c2nn[n-]n2)cn(CCOc2ccc([N+](=O)[O-])cc2)c2ccccc12	ZINC000738370312	598720375	/nfs/dbraw/zinc/72/03/75/598720375.db2.gz	BVVNERVVKFZRGS-UHFFFAOYSA-N	-1	1	378.348	2.169	20	5		GEBDMM
O=[N+]([O-])c1sccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000738373859	598745320	/nfs/dbraw/zinc/74/53/20/598745320.db2.gz	IKQBZTLKFKDWIQ-UHFFFAOYSA-N	-1	1	388.413	2.028	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1	ZINC000738370016	598745570	/nfs/dbraw/zinc/74/55/70/598745570.db2.gz	MKJLZOORDUZASG-UHFFFAOYSA-N	-1	1	388.413	2.028	20	5		GEBDMM
O=C([O-])c1cc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc([N+](=O)[O-])c1	ZINC000532258678	599893360	/nfs/dbraw/zinc/89/33/60/599893360.db2.gz	HCMQMGXAHITVPD-UHFFFAOYSA-N	-1	1	385.311	2.147	20	5		GEBDMM
O=C([O-])c1cc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1	ZINC000532258678	599893362	/nfs/dbraw/zinc/89/33/62/599893362.db2.gz	HCMQMGXAHITVPD-UHFFFAOYSA-N	-1	1	385.311	2.147	20	5		GEBDMM
O=C([O-])N1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000833279405	600734312	/nfs/dbraw/zinc/73/43/12/600734312.db2.gz	XQALPUYQMWYLDM-QMMMGPOBSA-N	-1	1	398.224	2.322	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1	ZINC000826499706	607589166	/nfs/dbraw/zinc/58/91/66/607589166.db2.gz	TXSYGULDUMUBIS-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(F)c1	ZINC000826499706	607589167	/nfs/dbraw/zinc/58/91/67/607589167.db2.gz	TXSYGULDUMUBIS-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1cc(CN[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC000739860932	602877512	/nfs/dbraw/zinc/87/75/12/602877512.db2.gz	RFLOYIRSJQMKEM-SNVBAGLBSA-N	-1	1	393.318	2.386	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000826498088	607599951	/nfs/dbraw/zinc/59/99/51/607599951.db2.gz	HKYMDIUVOTVFMX-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCCC1	ZINC000825146668	607603144	/nfs/dbraw/zinc/60/31/44/607603144.db2.gz	FDXMNGCAAVWYRJ-GFCCVEGCSA-N	-1	1	394.457	2.412	20	5		GEBDMM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1	ZINC000740681620	603059621	/nfs/dbraw/zinc/05/96/21/603059621.db2.gz	QIPTTWUYCZYRSL-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n[nH]1	ZINC000740681620	603059626	/nfs/dbraw/zinc/05/96/26/603059626.db2.gz	QIPTTWUYCZYRSL-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
CCN([C@H]1CCCC[C@@H]1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825394384	607604922	/nfs/dbraw/zinc/60/49/22/607604922.db2.gz	BIYHHXSJEISXJY-RYUDHWBXSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CCCC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825266687	607606312	/nfs/dbraw/zinc/60/63/12/607606312.db2.gz	GMLLUVKRZXHXLH-NEPJUHHUSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825251569	607606597	/nfs/dbraw/zinc/60/65/97/607606597.db2.gz	CLJKAEGSYAMGRK-VXGBXAGGSA-N	-1	1	394.457	2.412	20	5		GEBDMM
C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824400945	607619717	/nfs/dbraw/zinc/61/97/17/607619717.db2.gz	NACLBWRJZZLLMY-JTQLQIEISA-N	-1	1	382.446	2.268	20	5		GEBDMM
CC1(C)CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824802488	607669129	/nfs/dbraw/zinc/66/91/29/607669129.db2.gz	NMXIETWZVOPEEY-GFCCVEGCSA-N	-1	1	380.430	2.022	20	5		GEBDMM
O=C([O-])N1CCC2(CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1	ZINC000834091809	605862345	/nfs/dbraw/zinc/86/23/45/605862345.db2.gz	JEUYPMQJWWCKFL-UHFFFAOYSA-N	-1	1	386.412	2.277	20	5		GEBDMM
CSc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1	ZINC000445697002	649963794	/nfs/dbraw/zinc/96/37/94/649963794.db2.gz	MAJQLGJYJLHNPK-UHFFFAOYSA-N	-1	1	397.463	2.195	20	5		GEBDMM
O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-]	ZINC000822959347	606294409	/nfs/dbraw/zinc/29/44/09/606294409.db2.gz	ZIEWCSXLOCEQDQ-UHFFFAOYSA-N	-1	1	383.368	2.311	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000823436028	606648971	/nfs/dbraw/zinc/64/89/71/606648971.db2.gz	FGHHJEFSXMJCRL-UHFFFAOYSA-N	-1	1	395.379	2.127	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000823436028	606648972	/nfs/dbraw/zinc/64/89/72/606648972.db2.gz	FGHHJEFSXMJCRL-UHFFFAOYSA-N	-1	1	395.379	2.127	20	5		GEBDMM
CC[C@@H](C)NC(=O)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820875765	606699288	/nfs/dbraw/zinc/69/92/88/606699288.db2.gz	FGIKDUJMVIPHGP-LLVKDONJSA-N	-1	1	396.411	2.310	20	5		GEBDMM
CC[C@@H](C)NC(=O)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820875765	606699290	/nfs/dbraw/zinc/69/92/90/606699290.db2.gz	FGIKDUJMVIPHGP-LLVKDONJSA-N	-1	1	396.411	2.310	20	5		GEBDMM
CSCC(=O)Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821956850	606701265	/nfs/dbraw/zinc/70/12/65/606701265.db2.gz	ZCRJTJTUUFXAPD-UHFFFAOYSA-N	-1	1	387.381	2.264	20	5		GEBDMM
CSCC(=O)Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821956850	606701266	/nfs/dbraw/zinc/70/12/66/606701266.db2.gz	ZCRJTJTUUFXAPD-UHFFFAOYSA-N	-1	1	387.381	2.264	20	5		GEBDMM
CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2c(c1)OCO2	ZINC000819983912	606703993	/nfs/dbraw/zinc/70/39/93/606703993.db2.gz	JWYSXVBCSLWCOV-UHFFFAOYSA-N	-1	1	383.368	2.288	20	5		GEBDMM
CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2c(c1)OCO2	ZINC000819983912	606703994	/nfs/dbraw/zinc/70/39/94/606703994.db2.gz	JWYSXVBCSLWCOV-UHFFFAOYSA-N	-1	1	383.368	2.288	20	5		GEBDMM
CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2	ZINC000819984404	606704869	/nfs/dbraw/zinc/70/48/69/606704869.db2.gz	VCYWZZLADSJOGN-UHFFFAOYSA-N	-1	1	397.395	2.331	20	5		GEBDMM
CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2	ZINC000819984404	606704871	/nfs/dbraw/zinc/70/48/71/606704871.db2.gz	VCYWZZLADSJOGN-UHFFFAOYSA-N	-1	1	397.395	2.331	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1c(F)cccc1Cl	ZINC000823621203	606713079	/nfs/dbraw/zinc/71/30/79/606713079.db2.gz	ZCXAOTFUPZYMMC-JTQLQIEISA-N	-1	1	379.739	2.108	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1c(F)cccc1Cl	ZINC000823621203	606713080	/nfs/dbraw/zinc/71/30/80/606713080.db2.gz	ZCXAOTFUPZYMMC-JTQLQIEISA-N	-1	1	379.739	2.108	20	5		GEBDMM
COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc2n1	ZINC000821716684	606713570	/nfs/dbraw/zinc/71/35/70/606713570.db2.gz	DZJHJGCGJRMLKG-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc2n1	ZINC000821716684	606713572	/nfs/dbraw/zinc/71/35/72/606713572.db2.gz	DZJHJGCGJRMLKG-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
CCCCN(CCCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821065523	606730330	/nfs/dbraw/zinc/73/03/30/606730330.db2.gz	KBAHZFJMTUVFCY-UHFFFAOYSA-N	-1	1	382.446	2.366	20	5		GEBDMM
O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)s1	ZINC000823391691	607133783	/nfs/dbraw/zinc/13/37/83/607133783.db2.gz	BUSRUALKVBAAOF-UWVGGRQHSA-N	-1	1	389.397	2.374	20	5		GEBDMM
O=C(O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)s1	ZINC000823391691	607133785	/nfs/dbraw/zinc/13/37/85/607133785.db2.gz	BUSRUALKVBAAOF-UWVGGRQHSA-N	-1	1	389.397	2.374	20	5		GEBDMM
COc1cc(C)c(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000821708162	607164104	/nfs/dbraw/zinc/16/41/04/607164104.db2.gz	LCSKWKVCXODVSR-UHFFFAOYSA-N	-1	1	385.384	2.132	20	5		GEBDMM
COc1cc(C)c(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000821708162	607164105	/nfs/dbraw/zinc/16/41/05/607164105.db2.gz	LCSKWKVCXODVSR-UHFFFAOYSA-N	-1	1	385.384	2.132	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCc2ccccc2)CC1	ZINC000823620786	607165361	/nfs/dbraw/zinc/16/53/61/607165361.db2.gz	QETJVEGGTOGBCL-UHFFFAOYSA-N	-1	1	381.396	2.356	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCc2ccccc2)CC1	ZINC000823620786	607165362	/nfs/dbraw/zinc/16/53/62/607165362.db2.gz	QETJVEGGTOGBCL-UHFFFAOYSA-N	-1	1	381.396	2.356	20	5		GEBDMM
O=C1CCCCN1c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000823530126	607167901	/nfs/dbraw/zinc/16/79/01/607167901.db2.gz	DSHMYUXAJOGBRS-UHFFFAOYSA-N	-1	1	380.368	2.430	20	5		GEBDMM
O=C1CCCCN1c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000823530126	607167904	/nfs/dbraw/zinc/16/79/04/607167904.db2.gz	DSHMYUXAJOGBRS-UHFFFAOYSA-N	-1	1	380.368	2.430	20	5		GEBDMM
Cc1oc(NC(=O)CN2CCc3cc(C)c([N+](=O)[O-])cc32)c(-c2nn[n-]n2)c1C	ZINC000826273328	608384838	/nfs/dbraw/zinc/38/48/38/608384838.db2.gz	ZAHRSAUPWYCUON-UHFFFAOYSA-N	-1	1	397.395	2.294	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nnn[n-]2)nn1	ZINC000826497782	608392960	/nfs/dbraw/zinc/39/29/60/608392960.db2.gz	UMQUGTDGYOMCKE-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(-c2nn[n-]n2)nn1	ZINC000826497782	608392961	/nfs/dbraw/zinc/39/29/61/608392961.db2.gz	UMQUGTDGYOMCKE-UHFFFAOYSA-N	-1	1	395.305	2.108	20	5		GEBDMM
COc1cc(C(=O)[N-]c2sccc2S(C)(=O)=O)c([N+](=O)[O-])cc1OC	ZINC000460125974	650439625	/nfs/dbraw/zinc/43/96/25/650439625.db2.gz	CXGRSRQCUVRJPS-UHFFFAOYSA-N	-1	1	386.407	2.329	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCc1cccnc1	ZINC000489000873	650753296	/nfs/dbraw/zinc/75/32/96/650753296.db2.gz	LNYQBSRVUYQKHZ-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
O=C(NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1Cl	ZINC000066000335	642894010	/nfs/dbraw/zinc/89/40/10/642894010.db2.gz	FXEPOONSXZGNDY-UHFFFAOYSA-N	-1	1	389.842	2.018	20	5		GEBDMM
O=C([N-]c1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])cc2c1OCCO2	ZINC000066287943	642907308	/nfs/dbraw/zinc/90/73/08/642907308.db2.gz	BYYPKROGXGUSHF-UHFFFAOYSA-N	-1	1	376.272	2.489	20	5		GEBDMM
COc1c(S(=O)(=O)[N-]CC(F)F)cc(Br)c(C)c1[N+](=O)[O-]	ZINC000493869203	650797601	/nfs/dbraw/zinc/79/76/01/650797601.db2.gz	BPIVPWFHXBHWRS-UHFFFAOYSA-N	-1	1	389.174	2.218	20	5		GEBDMM
O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1	ZINC000101572609	643108992	/nfs/dbraw/zinc/10/89/92/643108992.db2.gz	PVVZLHQLSHFVOY-UHFFFAOYSA-N	-1	1	389.842	2.018	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C	ZINC000102411785	643125828	/nfs/dbraw/zinc/12/58/28/643125828.db2.gz	LQTZLTUYYOTVOF-GHMZBOCLSA-N	-1	1	389.861	2.316	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000538119255	650830410	/nfs/dbraw/zinc/83/04/10/650830410.db2.gz	BYNLIEIPKGONGD-JSGCOSHPSA-N	-1	1	383.813	2.452	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(Br)ccc1F	ZINC000125558407	643708822	/nfs/dbraw/zinc/70/88/22/643708822.db2.gz	ABMWGWNGHHIQCS-UHFFFAOYSA-N	-1	1	391.178	2.197	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(CC(F)(F)F)C1	ZINC000127238921	643765805	/nfs/dbraw/zinc/76/58/05/643765805.db2.gz	HBWGAMZZDUHAPB-MRVPVSSYSA-N	-1	1	387.767	2.163	20	5		GEBDMM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000128412867	643802157	/nfs/dbraw/zinc/80/21/57/643802157.db2.gz	HRYYWNMTWZSBGI-MWLCHTKSSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3c(F)cccc3F)C2)s1	ZINC000156666938	644111124	/nfs/dbraw/zinc/11/11/24/644111124.db2.gz	XSIDQLQHMUXEFN-VIFPVBQESA-N	-1	1	389.405	2.492	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1	ZINC000159327218	644186893	/nfs/dbraw/zinc/18/68/93/644186893.db2.gz	KEDCTXIFWYMRQM-LBPRGKRZSA-N	-1	1	382.829	2.200	20	5		GEBDMM
C[S@](=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000175876207	644394780	/nfs/dbraw/zinc/39/47/80/644394780.db2.gz	NGAKNMGYJLTELH-QHCPKHFHSA-N	-1	1	388.854	2.464	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCN(CC(F)(F)F)CC1	ZINC000195239201	645365657	/nfs/dbraw/zinc/36/56/57/645365657.db2.gz	AMWIJUJZIGIIJX-UHFFFAOYSA-N	-1	1	385.339	2.039	20	5		GEBDMM
CCc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000274648970	646326722	/nfs/dbraw/zinc/32/67/22/646326722.db2.gz	DTJWEMXTGYPSAQ-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000281370338	646765397	/nfs/dbraw/zinc/76/53/97/646765397.db2.gz	DPHJIVBLGBIANI-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)s1	ZINC000366224466	647700061	/nfs/dbraw/zinc/70/00/61/647700061.db2.gz	DCCGVWIJJYCLJO-UHFFFAOYSA-N	-1	1	380.354	2.335	20	5		GEBDMM
Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1	ZINC000416491624	648147051	/nfs/dbraw/zinc/14/70/51/648147051.db2.gz	ZUDDUKUYWWWOMV-LURJTMIESA-N	-1	1	379.320	2.080	20	5		GEBDMM
CCC(=O)C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000548268515	651074966	/nfs/dbraw/zinc/07/49/66/651074966.db2.gz	PTFNMRQUUTTXLB-SECBINFHSA-N	-1	1	399.208	2.002	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1	ZINC000725820233	651479881	/nfs/dbraw/zinc/47/98/81/651479881.db2.gz	CHYBCWDLZBNEJR-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000610590532	651673158	/nfs/dbraw/zinc/67/31/58/651673158.db2.gz	RWULBHHJJSYWCR-UHFFFAOYSA-N	-1	1	388.785	2.496	20	5		GEBDMM
C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000610739581	651680527	/nfs/dbraw/zinc/68/05/27/651680527.db2.gz	DIKSYCDKBCRAAD-UWVGGRQHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000612146135	651747089	/nfs/dbraw/zinc/74/70/89/651747089.db2.gz	RXODASHYGLOQSL-QPUJVOFHSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC(=O)OC(C)(C)C	ZINC000734503545	651748202	/nfs/dbraw/zinc/74/82/02/651748202.db2.gz	RSGOUEROTFKLTC-JTQLQIEISA-N	-1	1	393.487	2.484	20	5		GEBDMM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1	ZINC000576731880	652140912	/nfs/dbraw/zinc/14/09/12/652140912.db2.gz	LBLGXXJBHYNULH-UHFFFAOYSA-N	-1	1	388.785	2.415	20	5		GEBDMM
COc1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1O	ZINC000751149808	652326020	/nfs/dbraw/zinc/32/60/20/652326020.db2.gz	RLYPRIZAUWFUOT-UHFFFAOYSA-N	-1	1	386.813	2.483	20	5		GEBDMM
COc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000751221298	652331670	/nfs/dbraw/zinc/33/16/70/652331670.db2.gz	FZUWUPRQCCBSBR-CQSZACIVSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CCN(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC(F)(F)F	ZINC000755168316	652459545	/nfs/dbraw/zinc/45/95/45/652459545.db2.gz	HIBHNXWFWSTXGU-UHFFFAOYSA-N	-1	1	387.355	2.287	20	5		GEBDMM
CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000757349129	652515724	/nfs/dbraw/zinc/51/57/24/652515724.db2.gz	STEAWMSEFMLUMC-UHFFFAOYSA-N	-1	1	388.785	2.496	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)nc1	ZINC000594818155	652686834	/nfs/dbraw/zinc/68/68/34/652686834.db2.gz	IKLPLMZOGSGXNO-LLVKDONJSA-N	-1	1	383.348	2.158	20	5		GEBDMM
CC(C)(C)OC(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1	ZINC000595393855	652720196	/nfs/dbraw/zinc/72/01/96/652720196.db2.gz	CEHHQLJNZODDPJ-UHFFFAOYSA-N	-1	1	376.456	2.447	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCOCC1CCC1	ZINC000765161087	652827305	/nfs/dbraw/zinc/82/73/05/652827305.db2.gz	CVLMPFNLQWFJBU-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000599204599	652853949	/nfs/dbraw/zinc/85/39/49/652853949.db2.gz	ONVSWOBPCJNDDF-QMMMGPOBSA-N	-1	1	389.231	2.130	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCCC12OCCO2	ZINC000766840816	652899863	/nfs/dbraw/zinc/89/98/63/652899863.db2.gz	SIYOODVFCXPIOR-LBPRGKRZSA-N	-1	1	376.818	2.212	20	5		GEBDMM
CN1CCN(c2ccccc2[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1	ZINC000768858486	653132698	/nfs/dbraw/zinc/13/26/98/653132698.db2.gz	PAYRVUWAAVONSS-UHFFFAOYSA-N	-1	1	382.467	2.209	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCOCC2)C1	ZINC000769438450	653157243	/nfs/dbraw/zinc/15/72/43/653157243.db2.gz	BKAROXPWCVMNHG-GFCCVEGCSA-N	-1	1	390.845	2.255	20	5		GEBDMM
COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1	ZINC000809824843	653302942	/nfs/dbraw/zinc/30/29/42/653302942.db2.gz	HTXKSGQIXNKNQW-UHFFFAOYSA-N	-1	1	389.792	2.312	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1	ZINC000809828885	653304564	/nfs/dbraw/zinc/30/45/64/653304564.db2.gz	SDFKLLNAVAQDEH-UHFFFAOYSA-N	-1	1	383.209	2.276	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)cc1Cl	ZINC000809829752	653305018	/nfs/dbraw/zinc/30/50/18/653305018.db2.gz	LWRMZDKQAYWXFR-LLVKDONJSA-N	-1	1	380.806	2.461	20	5		GEBDMM
CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809833232	653306601	/nfs/dbraw/zinc/30/66/01/653306601.db2.gz	QVNWSAZQOULTFG-ZDUSSCGKSA-N	-1	1	380.825	2.463	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCO1	ZINC000809839031	653307882	/nfs/dbraw/zinc/30/78/82/653307882.db2.gz	FGHANLVKMRFYOE-CMPLNLGQSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000810105761	653325237	/nfs/dbraw/zinc/32/52/37/653325237.db2.gz	GCHYRIFUPFSJFW-CYBMUJFWSA-N	-1	1	380.825	2.463	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCC1	ZINC000859353356	653448312	/nfs/dbraw/zinc/44/83/12/653448312.db2.gz	BNJPOKKFLYZBIO-UHFFFAOYSA-N	-1	1	391.243	2.395	20	5		GEBDMM
COC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1	ZINC000779894089	653615367	/nfs/dbraw/zinc/61/53/67/653615367.db2.gz	XZMNDBDZOLRERV-UHFFFAOYSA-N	-1	1	388.785	2.415	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC=CO1	ZINC000780898669	653635121	/nfs/dbraw/zinc/63/51/21/653635121.db2.gz	IJMUFZRVQUAQQT-SNVBAGLBSA-N	-1	1	377.216	2.328	20	5		GEBDMM
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000815078773	653650119	/nfs/dbraw/zinc/65/01/19/653650119.db2.gz	HWIYLFMBSMHVOY-GFCCVEGCSA-N	-1	1	383.813	2.143	20	5		GEBDMM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])O1	ZINC000841534090	653729037	/nfs/dbraw/zinc/72/90/37/653729037.db2.gz	JAXLHZJDFAIBGW-HTQZYQBOSA-N	-1	1	397.222	2.342	20	5		GEBDMM
CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000841536578	653729604	/nfs/dbraw/zinc/72/96/04/653729604.db2.gz	FYTYHAZYMSLOLG-AOOOYVTPSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCO[C@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C	ZINC000788932524	653766817	/nfs/dbraw/zinc/76/68/17/653766817.db2.gz	MSWOHSRVXBJPQF-ZFWWWQNUSA-N	-1	1	392.861	2.093	20	5		GEBDMM
CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCOCC1	ZINC000842807357	653768756	/nfs/dbraw/zinc/76/87/56/653768756.db2.gz	VXNRBKQKEARQMD-CYBMUJFWSA-N	-1	1	378.834	2.432	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)O	ZINC000790909191	653800577	/nfs/dbraw/zinc/80/05/77/653800577.db2.gz	QJWMOYUKEVCTOR-LBPRGKRZSA-N	-1	1	395.275	2.431	20	5		GEBDMM
COCCOCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000791417387	653813022	/nfs/dbraw/zinc/81/30/22/653813022.db2.gz	MKYNIWLKFLGJFG-UHFFFAOYSA-N	-1	1	387.241	2.233	20	5		GEBDMM
CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000845969973	653874370	/nfs/dbraw/zinc/87/43/70/653874370.db2.gz	WBLXDJUEXZOOAS-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CC[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795861970	653972272	/nfs/dbraw/zinc/97/22/72/653972272.db2.gz	PMSBRLBQSUHKOE-MRVPVSSYSA-N	-1	1	399.238	2.326	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F	ZINC000849458113	654039715	/nfs/dbraw/zinc/03/97/15/654039715.db2.gz	BHJHHFRQUSQGCA-NEPJUHHUSA-N	-1	1	382.772	2.341	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)c1Cl	ZINC000830446193	654118952	/nfs/dbraw/zinc/11/89/52/654118952.db2.gz	WSGIHCHKINCCDD-SECBINFHSA-N	-1	1	399.252	2.233	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3ccc([N+](=O)[O-])cc3Br)ccnc1-2	ZINC000801702144	654204215	/nfs/dbraw/zinc/20/42/15/654204215.db2.gz	SEMVKQUOAJLPKP-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000832067499	654230777	/nfs/dbraw/zinc/23/07/77/654230777.db2.gz	TVSHXKPPFHAGPT-GZMMTYOYSA-N	-1	1	399.252	2.231	20	5		GEBDMM
CCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1	ZINC000832494719	654270283	/nfs/dbraw/zinc/27/02/83/654270283.db2.gz	UNWAWSXBPFMHHR-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000120699007	531989511	/nfs/dbraw/zinc/98/95/11/531989511.db2.gz	HPJREYCIYRWANA-IUCAKERBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C[C@H](C)O	ZINC000120699168	531990047	/nfs/dbraw/zinc/99/00/47/531990047.db2.gz	HPJREYCIYRWANA-BDAKNGLRSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](O)C1	ZINC000121766774	532047116	/nfs/dbraw/zinc/04/71/16/532047116.db2.gz	XIAWRJGWUDSEAS-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000133389470	532233744	/nfs/dbraw/zinc/23/37/44/532233744.db2.gz	YHWLWPYFZHEWSE-SECBINFHSA-N	-1	1	382.833	2.260	20	5		GEBDMM
CCC[C@@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nn[n-]n1	ZINC000133427458	532234191	/nfs/dbraw/zinc/23/41/91/532234191.db2.gz	BXAISVPZQDUWRO-SNVBAGLBSA-N	-1	1	383.206	2.450	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1	ZINC000146655736	532298891	/nfs/dbraw/zinc/29/88/91/532298891.db2.gz	MYAWUOPEYJDNQF-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F	ZINC000469019776	532487383	/nfs/dbraw/zinc/48/73/83/532487383.db2.gz	PTMXDZCMJKTNIU-SNVBAGLBSA-N	-1	1	376.740	2.494	20	5		GEBDMM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000431625584	532519163	/nfs/dbraw/zinc/51/91/63/532519163.db2.gz	OZWKZMHMTCRYAO-SNVBAGLBSA-N	-1	1	377.850	2.079	20	5		GEBDMM
CCn1cc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1	ZINC000431723431	532521148	/nfs/dbraw/zinc/52/11/48/532521148.db2.gz	PINPRNFDDYICMF-SMDDNHRTSA-N	-1	1	386.455	2.071	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CC(c3ccccc3)C2)s1	ZINC000433364922	532565914	/nfs/dbraw/zinc/56/59/14/532565914.db2.gz	OKBZEUVYHIFSRH-UHFFFAOYSA-N	-1	1	382.463	2.491	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])n1	ZINC000433439402	532568872	/nfs/dbraw/zinc/56/88/72/532568872.db2.gz	JKOGRNGNFWUATA-UHFFFAOYSA-N	-1	1	380.760	2.221	20	5		GEBDMM
CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443323599	532746303	/nfs/dbraw/zinc/74/63/03/532746303.db2.gz	VWELGRDCNOILTE-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CC1	ZINC000582790164	532762044	/nfs/dbraw/zinc/76/20/44/532762044.db2.gz	KRRYJRWIUICNPM-JTQLQIEISA-N	-1	1	376.818	2.116	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cnc3n2CCCC3)cc1Cl	ZINC000367668351	532926227	/nfs/dbraw/zinc/92/62/27/532926227.db2.gz	HJKRTSKIJMVEEB-UHFFFAOYSA-N	-1	1	388.808	2.399	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1COC2(CCCC2)O1	ZINC000371445998	532948182	/nfs/dbraw/zinc/94/81/82/532948182.db2.gz	ARAHNAYTBHFAAC-JTQLQIEISA-N	-1	1	376.818	2.212	20	5		GEBDMM
O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1	ZINC000476786968	599867545	/nfs/dbraw/zinc/86/75/45/599867545.db2.gz	HHFMEAHZGBOUQQ-UHFFFAOYSA-N	-1	1	398.324	2.004	20	5		GEBDMM
CC[C@](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736920403	600135602	/nfs/dbraw/zinc/13/56/02/600135602.db2.gz	NLAVGPFJJYOEGI-MRXNPFEDSA-N	-1	1	382.369	2.402	20	5		GEBDMM
O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)C1CCCCC1	ZINC000826431857	607452198	/nfs/dbraw/zinc/45/21/98/607452198.db2.gz	MHFAMBJTRHQKFQ-UHFFFAOYSA-N	-1	1	399.455	2.440	20	5		GEBDMM
O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)C1CCCCC1	ZINC000826431857	607452199	/nfs/dbraw/zinc/45/21/99/607452199.db2.gz	MHFAMBJTRHQKFQ-UHFFFAOYSA-N	-1	1	399.455	2.440	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1	ZINC000739871699	601934645	/nfs/dbraw/zinc/93/46/45/601934645.db2.gz	KIKHEPOXUSXYHU-UHFFFAOYSA-N	-1	1	392.412	2.149	20	5		GEBDMM
CCCCCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825272139	607581760	/nfs/dbraw/zinc/58/17/60/607581760.db2.gz	WJGRSMOJWDTNBT-LLVKDONJSA-N	-1	1	382.446	2.412	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000826467087	607594603	/nfs/dbraw/zinc/59/46/03/607594603.db2.gz	GVKYKNWYOBNMGN-UHFFFAOYSA-N	-1	1	381.352	2.101	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	ZINC000826467087	607594605	/nfs/dbraw/zinc/59/46/05/607594605.db2.gz	GVKYKNWYOBNMGN-UHFFFAOYSA-N	-1	1	381.352	2.101	20	5		GEBDMM
CC1CCC(C)(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000824907540	607602857	/nfs/dbraw/zinc/60/28/57/607602857.db2.gz	IQHTVIMHOBTAQG-UHFFFAOYSA-N	-1	1	380.430	2.022	20	5		GEBDMM
CN(CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000828306762	603106760	/nfs/dbraw/zinc/10/67/60/603106760.db2.gz	UOVVCZHJCPSDIO-UHFFFAOYSA-N	-1	1	386.213	2.180	20	5		GEBDMM
C[C@@H]1CCCC[C@@H]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824936174	607616871	/nfs/dbraw/zinc/61/68/71/607616871.db2.gz	FGHLYJOGHKRXMN-VXGBXAGGSA-N	-1	1	394.457	2.270	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1	ZINC000826498310	607660126	/nfs/dbraw/zinc/66/01/26/607660126.db2.gz	PDQSASSXJNYLMG-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CC(C)CC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1	ZINC000824238066	607668764	/nfs/dbraw/zinc/66/87/64/607668764.db2.gz	ZJBKKJFOXRFORR-UHFFFAOYSA-N	-1	1	394.457	2.270	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1	ZINC000826499517	607673104	/nfs/dbraw/zinc/67/31/04/607673104.db2.gz	LWSULSYYHASEJF-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1	ZINC000826499517	607673106	/nfs/dbraw/zinc/67/31/06/607673106.db2.gz	LWSULSYYHASEJF-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1C(=O)[O-]	ZINC000833734516	604861966	/nfs/dbraw/zinc/86/19/66/604861966.db2.gz	JYPGIXCHOMXYBH-UHFFFAOYSA-N	-1	1	396.377	2.419	20	5		GEBDMM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1OC	ZINC000833733663	605325761	/nfs/dbraw/zinc/32/57/61/605325761.db2.gz	XFXVBPXKLJWBSW-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024584	605515285	/nfs/dbraw/zinc/51/52/85/605515285.db2.gz	FCJLDABXQLQTOG-DOTOQJQBSA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031426	605520460	/nfs/dbraw/zinc/52/04/60/605520460.db2.gz	ZDSJRIOXELCLJR-WBVHZDCISA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C([O-])N1CCC2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)CC1	ZINC000834092018	605894411	/nfs/dbraw/zinc/89/44/11/605894411.db2.gz	NRDRGCBDHAILJT-UHFFFAOYSA-N	-1	1	377.397	2.427	20	5		GEBDMM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789337	605898744	/nfs/dbraw/zinc/89/87/44/605898744.db2.gz	IOFNVESBAQUHOQ-CYBMUJFWSA-N	-1	1	376.413	2.388	20	5		GEBDMM
COC(=O)c1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1[N+](=O)[O-]	ZINC000821667891	606466500	/nfs/dbraw/zinc/46/65/00/606466500.db2.gz	FTCXFDKPWUQSQC-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
COC(=O)c1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-]	ZINC000821667891	606466501	/nfs/dbraw/zinc/46/65/01/606466501.db2.gz	FTCXFDKPWUQSQC-UHFFFAOYSA-N	-1	1	376.716	2.402	20	5		GEBDMM
Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)s1	ZINC000822226463	606645646	/nfs/dbraw/zinc/64/56/46/606645646.db2.gz	SZDMUXRYQSNBGO-UHFFFAOYSA-N	-1	1	399.436	2.107	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(N2CCCCC2)c1	ZINC000823624510	606699947	/nfs/dbraw/zinc/69/99/47/606699947.db2.gz	ASXUPZCGIBXSQE-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(N2CCCCC2)c1	ZINC000823624510	606699949	/nfs/dbraw/zinc/69/99/49/606699949.db2.gz	ASXUPZCGIBXSQE-UHFFFAOYSA-N	-1	1	381.400	2.167	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000823620916	606702015	/nfs/dbraw/zinc/70/20/15/606702015.db2.gz	SQEJLLBLPXHFDR-NSHDSACASA-N	-1	1	384.375	2.247	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CCN(c2ccc(F)cc2)C1	ZINC000823620916	606702016	/nfs/dbraw/zinc/70/20/16/606702016.db2.gz	SQEJLLBLPXHFDR-NSHDSACASA-N	-1	1	384.375	2.247	20	5		GEBDMM
COc1ccccc1N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000821899364	606705248	/nfs/dbraw/zinc/70/52/48/606705248.db2.gz	XQBHNQYDHPROQA-UHFFFAOYSA-N	-1	1	396.411	2.259	20	5		GEBDMM
COc1ccccc1N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000821899364	606705249	/nfs/dbraw/zinc/70/52/49/606705249.db2.gz	XQBHNQYDHPROQA-UHFFFAOYSA-N	-1	1	396.411	2.259	20	5		GEBDMM
Cn1c(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nnc1-c1cccs1	ZINC000822604801	607164981	/nfs/dbraw/zinc/16/49/81/607164981.db2.gz	KXQWXMLZOAARTP-UHFFFAOYSA-N	-1	1	387.410	2.178	20	5		GEBDMM
Cn1c(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nnc1-c1cccs1	ZINC000822604801	607164983	/nfs/dbraw/zinc/16/49/83/607164983.db2.gz	KXQWXMLZOAARTP-UHFFFAOYSA-N	-1	1	387.410	2.178	20	5		GEBDMM
O=C(c1ccccc1)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000823492941	607166018	/nfs/dbraw/zinc/16/60/18/607166018.db2.gz	AHBSIKPWUFRGLJ-UHFFFAOYSA-N	-1	1	379.380	2.269	20	5		GEBDMM
O=C(c1ccccc1)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000823492941	607166019	/nfs/dbraw/zinc/16/60/19/607166019.db2.gz	AHBSIKPWUFRGLJ-UHFFFAOYSA-N	-1	1	379.380	2.269	20	5		GEBDMM
COc1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000826211398	607865371	/nfs/dbraw/zinc/86/53/71/607865371.db2.gz	AZDJXFMYGCOJFE-UHFFFAOYSA-N	-1	1	375.316	2.380	20	5		GEBDMM
COc1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000826211398	607865372	/nfs/dbraw/zinc/86/53/72/607865372.db2.gz	AZDJXFMYGCOJFE-UHFFFAOYSA-N	-1	1	375.316	2.380	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826272500	607867755	/nfs/dbraw/zinc/86/77/55/607867755.db2.gz	MVQRAMGVZPKIQD-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826272500	607867756	/nfs/dbraw/zinc/86/77/56/607867756.db2.gz	MVQRAMGVZPKIQD-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
O=[N+]([O-])c1ccsc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1	ZINC000826500643	608583447	/nfs/dbraw/zinc/58/34/47/608583447.db2.gz	GJQCWZHUFKHWKK-UHFFFAOYSA-N	-1	1	388.413	2.028	20	5		GEBDMM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(-c3ccccc3)cc2-c2nn[nH]n2)n1	ZINC000826363147	609531446	/nfs/dbraw/zinc/53/14/46/609531446.db2.gz	ZSSPTWGIGZVIQG-UHFFFAOYSA-N	-1	1	396.392	2.489	20	5		GEBDMM
CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000451803664	650143628	/nfs/dbraw/zinc/14/36/28/650143628.db2.gz	RQZVSSDIWLUVAN-GFCCVEGCSA-N	-1	1	381.248	2.451	20	5		GEBDMM
CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451976117	650159990	/nfs/dbraw/zinc/15/99/90/650159990.db2.gz	MHHYCFQCGVBOOE-MWLCHTKSSA-N	-1	1	381.248	2.185	20	5		GEBDMM
O=C(Nc1cc(N2CCOCC2)c(Br)cn1)c1ccc([N+](=O)[O-])[n-]1	ZINC000456979825	650369495	/nfs/dbraw/zinc/36/94/95/650369495.db2.gz	JUHKEPDFVBNTDP-UHFFFAOYSA-N	-1	1	396.201	2.169	20	5		GEBDMM
Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000476978322	650564667	/nfs/dbraw/zinc/56/46/67/650564667.db2.gz	FEQKBOSKWJIOCE-VIFPVBQESA-N	-1	1	385.423	2.170	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c([N+](=O)[O-])n1	ZINC000532948930	650755436	/nfs/dbraw/zinc/75/54/36/650755436.db2.gz	GAIKAINUJFUDFS-LLVKDONJSA-N	-1	1	386.430	2.466	20	5		GEBDMM
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1	ZINC000066327553	642908672	/nfs/dbraw/zinc/90/86/72/642908672.db2.gz	QIGTZYMPZURVIY-QMMMGPOBSA-N	-1	1	376.437	2.301	20	5		GEBDMM
COc1cc([N+](=O)[O-])c(C(=O)NCCc2n[n-]c(=S)n2C)cc1SC	ZINC000067051511	642961084	/nfs/dbraw/zinc/96/10/84/642961084.db2.gz	QDANVIYVRODAOF-UHFFFAOYSA-N	-1	1	383.455	2.089	20	5		GEBDMM
COc1ccc([N-]C(=O)c2nc3ncc(Br)cn3n2)c([N+](=O)[O-])c1	ZINC000098100264	643102692	/nfs/dbraw/zinc/10/26/92/643102692.db2.gz	UNXPKFUKFHVXGB-UHFFFAOYSA-N	-1	1	393.157	2.056	20	5		GEBDMM
Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21	ZINC000102320902	643125664	/nfs/dbraw/zinc/12/56/64/643125664.db2.gz	OTIQJOKZYGDUMD-UHFFFAOYSA-N	-1	1	383.769	2.494	20	5		GEBDMM
C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F	ZINC000119810849	643572447	/nfs/dbraw/zinc/57/24/47/643572447.db2.gz	IZMZJEFHZYRNGQ-ZDUSSCGKSA-N	-1	1	378.378	2.121	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])sc1Br	ZINC000125480565	643708378	/nfs/dbraw/zinc/70/83/78/643708378.db2.gz	GGXQFGHZINXTAA-UHFFFAOYSA-N	-1	1	393.244	2.428	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1	ZINC000152402814	643967260	/nfs/dbraw/zinc/96/72/60/643967260.db2.gz	HPDZSUKYPSKWLZ-SNVBAGLBSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)s1	ZINC000543619743	650915912	/nfs/dbraw/zinc/91/59/12/650915912.db2.gz	YAUDJXONLGUGJA-VIFPVBQESA-N	-1	1	380.806	2.461	20	5		GEBDMM
C[C@H](CO)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000270220665	646093303	/nfs/dbraw/zinc/09/33/03/646093303.db2.gz	HLJWJJMFQLAZMB-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271310011	646190046	/nfs/dbraw/zinc/19/00/46/646190046.db2.gz	YMKWFBFFHLTCFX-NXEZZACHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1[C@H](C)O	ZINC000272124163	646254710	/nfs/dbraw/zinc/25/47/10/646254710.db2.gz	QUGAOQSEYKBDJF-JTQLQIEISA-N	-1	1	385.829	2.483	20	5		GEBDMM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000277738792	646469070	/nfs/dbraw/zinc/46/90/70/646469070.db2.gz	JZJDZNYQOFPRIP-WPRPVWTQSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCN(c2nccs2)CC1	ZINC000281485643	646774349	/nfs/dbraw/zinc/77/43/49/646774349.db2.gz	KAMOEAKRKFYAOT-UHFFFAOYSA-N	-1	1	386.430	2.138	20	5		GEBDMM
O=c1nc([C@@H]2CCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)[nH][n-]1	ZINC000289169444	646925934	/nfs/dbraw/zinc/92/59/34/646925934.db2.gz	FFEVPRZTJULVTC-SNVBAGLBSA-N	-1	1	382.218	2.148	20	5		GEBDMM
CC(C)[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O	ZINC000289754104	647171988	/nfs/dbraw/zinc/17/19/88/647171988.db2.gz	GNCHAEUPAUJXRD-GFCCVEGCSA-N	-1	1	384.241	2.080	20	5		GEBDMM
C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1	ZINC000416526006	648159757	/nfs/dbraw/zinc/15/97/57/648159757.db2.gz	AUMFSXMXMRFLNE-WCBMZHEXSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=C([O-])C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1	ZINC000556778271	651252296	/nfs/dbraw/zinc/25/22/96/651252296.db2.gz	LOGFZQBVFQBQMV-UHFFFAOYSA-N	-1	1	383.209	2.435	20	5		GEBDMM
CC(C)(C)OC(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000728932576	651555361	/nfs/dbraw/zinc/55/53/61/651555361.db2.gz	DBLOVKUZZOSKAY-UHFFFAOYSA-N	-1	1	393.849	2.441	20	5		GEBDMM
CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000609134411	651610561	/nfs/dbraw/zinc/61/05/61/651610561.db2.gz	IXZWLVQCEQDCRL-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C	ZINC000610267078	651653440	/nfs/dbraw/zinc/65/34/40/651653440.db2.gz	YPXFXNSLTJXXPS-JTQLQIEISA-N	-1	1	381.248	2.307	20	5		GEBDMM
C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000612146136	651747038	/nfs/dbraw/zinc/74/70/38/651747038.db2.gz	RXODASHYGLOQSL-UFBFGSQYSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1c(Cl)cccc1Cl	ZINC000751438116	652350056	/nfs/dbraw/zinc/35/00/56/652350056.db2.gz	QQZCCVIOVLVBQB-JTQLQIEISA-N	-1	1	392.220	2.309	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1cccnc1	ZINC000757724949	652521245	/nfs/dbraw/zinc/52/12/45/652521245.db2.gz	SOHTXPMWCGDEAB-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O	ZINC000590169948	652575842	/nfs/dbraw/zinc/57/58/42/652575842.db2.gz	KDBVXZZOZIWHER-LLVKDONJSA-N	-1	1	381.248	2.185	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599460010	652873859	/nfs/dbraw/zinc/87/38/59/652873859.db2.gz	PSIAOYUAPVOVRL-YDEXJTGXSA-N	-1	1	393.259	2.448	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3(O)COC3)cc2)ccc1Cl	ZINC000808121522	653219913	/nfs/dbraw/zinc/21/99/13/653219913.db2.gz	QOUNJWCFMZLVBA-UHFFFAOYSA-N	-1	1	384.797	2.267	20	5		GEBDMM
CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809828789	653304421	/nfs/dbraw/zinc/30/44/21/653304421.db2.gz	SRDCSAFTROMSLE-QMMMGPOBSA-N	-1	1	382.797	2.255	20	5		GEBDMM
CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809831228	653305466	/nfs/dbraw/zinc/30/54/66/653305466.db2.gz	BMQBYLCSUTVEOA-HTQZYQBOSA-N	-1	1	382.797	2.253	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCOCC(F)F)c(Cl)cc1Cl	ZINC000809836151	653307592	/nfs/dbraw/zinc/30/75/92/653307592.db2.gz	PQZQYVRWLAUXKN-UHFFFAOYSA-N	-1	1	379.168	2.462	20	5		GEBDMM
CN(C)c1cccnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000810081653	653322200	/nfs/dbraw/zinc/32/22/00/653322200.db2.gz	GVNIVALJYHBNPA-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
COCC[C@@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000810092930	653324446	/nfs/dbraw/zinc/32/44/46/653324446.db2.gz	APLNXRSPYQNUNA-QMMMGPOBSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CCOC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000778100941	653427845	/nfs/dbraw/zinc/42/78/45/653427845.db2.gz	XEVIDPGHXFEXCC-JTQLQIEISA-N	-1	1	391.471	2.192	20	5		GEBDMM
CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000778610232	653450081	/nfs/dbraw/zinc/45/00/81/653450081.db2.gz	MZGAHSJHXQPFJJ-UHFFFAOYSA-N	-1	1	375.422	2.051	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1	ZINC000779898986	653615639	/nfs/dbraw/zinc/61/56/39/653615639.db2.gz	HUVMRXDXDPQRFN-SECBINFHSA-N	-1	1	376.740	2.148	20	5		GEBDMM
Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1I	ZINC000816740508	653692089	/nfs/dbraw/zinc/69/20/89/653692089.db2.gz	FUNOHXFPEHIRHZ-UHFFFAOYSA-N	-1	1	388.121	2.189	20	5		GEBDMM
COC1([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1	ZINC000817154604	653705201	/nfs/dbraw/zinc/70/52/01/653705201.db2.gz	UQBHLBUNRNCYKT-VIFPVBQESA-N	-1	1	396.824	2.250	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)O1	ZINC000841561848	653734344	/nfs/dbraw/zinc/73/43/44/653734344.db2.gz	YYRTXKFLMCYBER-BBBLOLIVSA-N	-1	1	393.259	2.449	20	5		GEBDMM
CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841567472	653735711	/nfs/dbraw/zinc/73/57/11/653735711.db2.gz	RZANSCHRRSRIJU-SSDOTTSWSA-N	-1	1	384.241	2.093	20	5		GEBDMM
O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1nc(Cl)ccc1[O-]	ZINC000788158382	653751065	/nfs/dbraw/zinc/75/10/65/653751065.db2.gz	GVYZBBYMBIXIOX-UHFFFAOYSA-N	-1	1	385.163	2.371	20	5		GEBDMM
COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1	ZINC000882698074	653798384	/nfs/dbraw/zinc/79/83/84/653798384.db2.gz	JIRLVYNYNSVFBD-OCAPTIKFSA-N	-1	1	397.222	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCOC1	ZINC000795925210	653977699	/nfs/dbraw/zinc/97/76/99/653977699.db2.gz	ZZTNNCSYDJLHFO-QMMMGPOBSA-N	-1	1	397.222	2.201	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000848478103	653980264	/nfs/dbraw/zinc/98/02/64/653980264.db2.gz	BPZWFGWMTOBDRX-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1	ZINC000849414539	654027208	/nfs/dbraw/zinc/02/72/08/654027208.db2.gz	KIPRQGXHTMQCGH-PELKAZGASA-N	-1	1	399.252	2.231	20	5		GEBDMM
COC(=O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1	ZINC000849468870	654043614	/nfs/dbraw/zinc/04/36/14/654043614.db2.gz	INKZBMNPHKGFGI-SECBINFHSA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1	ZINC000849469843	654044071	/nfs/dbraw/zinc/04/40/71/654044071.db2.gz	ALZGCDYZTFTOCQ-JTQLQIEISA-N	-1	1	393.259	2.044	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)cc1Cl	ZINC000798229044	654056028	/nfs/dbraw/zinc/05/60/28/654056028.db2.gz	WWIYTOHMHACONE-NSHDSACASA-N	-1	1	388.804	2.269	20	5		GEBDMM
CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830371903	654113265	/nfs/dbraw/zinc/11/32/65/654113265.db2.gz	NGOSBBIXPZAHRA-UHFFFAOYSA-N	-1	1	398.268	2.485	20	5		GEBDMM
Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc2ncc(Br)cn2n1	ZINC000800147187	654132312	/nfs/dbraw/zinc/13/23/12/654132312.db2.gz	JFPSFIPVTURQMF-UHFFFAOYSA-N	-1	1	395.148	2.495	20	5		GEBDMM
CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000830872306	654148298	/nfs/dbraw/zinc/14/82/98/654148298.db2.gz	AYASQPUGZIRELJ-MRVPVSSYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)c(Cl)cc1Cl	ZINC000851814870	654180554	/nfs/dbraw/zinc/18/05/54/654180554.db2.gz	FKXVFLXMZOZPLC-GFCCVEGCSA-N	-1	1	397.236	2.476	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(O)CCC(F)(F)CC1	ZINC000851841127	654189345	/nfs/dbraw/zinc/18/93/45/654189345.db2.gz	DUJDHSNDRAQKLJ-UHFFFAOYSA-N	-1	1	384.788	2.467	20	5		GEBDMM
COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000851874046	654196905	/nfs/dbraw/zinc/19/69/05/654196905.db2.gz	YYGNNMZMWGQIST-LJGSYFOKSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000832067502	654230949	/nfs/dbraw/zinc/23/09/49/654230949.db2.gz	TVSHXKPPFHAGPT-KCJUWKMLSA-N	-1	1	399.252	2.231	20	5		GEBDMM
C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000832462958	654268184	/nfs/dbraw/zinc/26/81/84/654268184.db2.gz	NFCNGBTWDXRAEC-MRVPVSSYSA-N	-1	1	376.797	2.030	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)(F)F	ZINC000921601434	654290642	/nfs/dbraw/zinc/29/06/42/654290642.db2.gz	SUCPFHDEAIHOCM-VIFPVBQESA-N	-1	1	385.339	2.039	20	5		GEBDMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1	ZINC000056011464	531800923	/nfs/dbraw/zinc/80/09/23/531800923.db2.gz	GPOVOMWOBPCZDN-LLVKDONJSA-N	-1	1	388.398	2.378	20	5		GEBDMM
CC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1	ZINC000068071371	531896478	/nfs/dbraw/zinc/89/64/78/531896478.db2.gz	LLMWHJZCRJZBTO-UHFFFAOYSA-N	-1	1	384.439	2.400	20	5		GEBDMM
C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000120745498	531992502	/nfs/dbraw/zinc/99/25/02/531992502.db2.gz	GFPIYBAYQCBNIH-IUCAKERBSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000180374812	532269386	/nfs/dbraw/zinc/26/93/86/532269386.db2.gz	JWLJMHGXSGKKJN-LLVKDONJSA-N	-1	1	381.248	2.043	20	5		GEBDMM
COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1	ZINC000425201738	532373573	/nfs/dbraw/zinc/37/35/73/532373573.db2.gz	JRILXYTVEPEKNR-LURJTMIESA-N	-1	1	391.452	2.247	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2nnc(C3CC3)[nH]2)c1Cl	ZINC000295397907	532444304	/nfs/dbraw/zinc/44/43/04/532444304.db2.gz	VFCCGBCORZHPBY-UHFFFAOYSA-N	-1	1	392.224	2.376	20	5		GEBDMM
C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000520898546	532499918	/nfs/dbraw/zinc/49/99/18/532499918.db2.gz	CWFVHHWDTUTOCK-ZETCQYMHSA-N	-1	1	376.740	2.494	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12	ZINC000249453989	532565823	/nfs/dbraw/zinc/56/58/23/532565823.db2.gz	CYUVJYOWOJRVKE-UMNHJUIQSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1	ZINC000435426131	532616569	/nfs/dbraw/zinc/61/65/69/532616569.db2.gz	GPOYNQXYXHWPIT-UHFFFAOYSA-N	-1	1	383.188	2.216	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2csc(Br)c2)c([N+](=O)[O-])n1	ZINC000533179228	532663067	/nfs/dbraw/zinc/66/30/67/532663067.db2.gz	BYKWIONFEJBJEK-UHFFFAOYSA-N	-1	1	395.260	2.114	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000532855426	532658104	/nfs/dbraw/zinc/65/81/04/532658104.db2.gz	QSDGOMZULSJZAE-UWVGGRQHSA-N	-1	1	384.380	2.458	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)c(F)c1	ZINC000599372983	532659188	/nfs/dbraw/zinc/65/91/88/532659188.db2.gz	QKLQBFDTUGHINU-NSHDSACASA-N	-1	1	382.295	2.012	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC1CCOCC1	ZINC000266127153	532703416	/nfs/dbraw/zinc/70/34/16/532703416.db2.gz	AKCMJWXACYDGCC-UHFFFAOYSA-N	-1	1	378.834	2.112	20	5		GEBDMM
Cc1ocnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000503230663	532744440	/nfs/dbraw/zinc/74/44/40/532744440.db2.gz	GDEOAIOCJDUXBS-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1	ZINC000581912084	532758966	/nfs/dbraw/zinc/75/89/66/532758966.db2.gz	WIYJVVLVXRSZMX-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCO1	ZINC000286483925	532751204	/nfs/dbraw/zinc/75/12/04/532751204.db2.gz	QDZGMLRGGZDQCX-SFYZADRCSA-N	-1	1	397.222	2.342	20	5		GEBDMM
C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000289275101	532851749	/nfs/dbraw/zinc/85/17/49/532851749.db2.gz	DOUDGRMKSZDPFW-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
O=C(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1	ZINC000289608416	532860481	/nfs/dbraw/zinc/86/04/81/532860481.db2.gz	XATQULPGRMRCFW-UHFFFAOYSA-N	-1	1	393.824	2.068	20	5		GEBDMM
C[C@](O)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000416442275	532877719	/nfs/dbraw/zinc/87/77/19/532877719.db2.gz	SSKIAJDTXUJDOS-VIFPVBQESA-N	-1	1	396.265	2.205	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F	ZINC000416439162	532877229	/nfs/dbraw/zinc/87/72/29/532877229.db2.gz	LJPCVSYRBCQOGA-SSDOTTSWSA-N	-1	1	396.265	2.205	20	5		GEBDMM
Cn1cc(CCC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1	ZINC000290815625	532889986	/nfs/dbraw/zinc/88/99/86/532889986.db2.gz	SORGLBZAWZXCEF-UHFFFAOYSA-N	-1	1	376.797	2.032	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1	ZINC000361180606	532892476	/nfs/dbraw/zinc/89/24/76/532892476.db2.gz	WQOMPEQXHYHMCA-GXFFZTMASA-N	-1	1	391.243	2.203	20	5		GEBDMM
COc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000737095319	598962017	/nfs/dbraw/zinc/96/20/17/598962017.db2.gz	IEMWYUJBTFHFHM-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
COc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000737095319	598962018	/nfs/dbraw/zinc/96/20/18/598962018.db2.gz	IEMWYUJBTFHFHM-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCCN1c1ccccc1	ZINC000826478203	607452481	/nfs/dbraw/zinc/45/24/81/607452481.db2.gz	WRDHKRYFHWEZPA-OAHLLOKOSA-N	-1	1	379.380	2.382	20	5		GEBDMM
O=C1[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCCN1c1ccccc1	ZINC000826478203	607452484	/nfs/dbraw/zinc/45/24/84/607452484.db2.gz	WRDHKRYFHWEZPA-OAHLLOKOSA-N	-1	1	379.380	2.382	20	5		GEBDMM
COC(=O)c1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831327778	601863099	/nfs/dbraw/zinc/86/30/99/601863099.db2.gz	OVZUWGNSGOFGEQ-UHFFFAOYSA-N	-1	1	398.324	2.020	20	5		GEBDMM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C(=O)[O-])c1	ZINC000504666766	602307459	/nfs/dbraw/zinc/30/74/59/602307459.db2.gz	YPOKWCMFYIKKRF-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
CC(C)(C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824078440	607572762	/nfs/dbraw/zinc/57/27/62/607572762.db2.gz	IRHREZIQBBBHSN-UHFFFAOYSA-N	-1	1	382.446	2.268	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1-c1nn[n-]n1	ZINC000826500274	607572843	/nfs/dbraw/zinc/57/28/43/607572843.db2.gz	RGEFWOAKENOYAR-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c(C)c1	ZINC000826292653	607577487	/nfs/dbraw/zinc/57/74/87/607577487.db2.gz	GAXSJRCSDDYOOO-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825444254	607578653	/nfs/dbraw/zinc/57/86/53/607578653.db2.gz	KMOAXAAHIWFPIC-UHFFFAOYSA-N	-1	1	392.372	2.129	20	5		GEBDMM
CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824216193	607607807	/nfs/dbraw/zinc/60/78/07/607607807.db2.gz	OVTLIQUYGUTWOH-NEPJUHHUSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000825192819	607642258	/nfs/dbraw/zinc/64/22/58/607642258.db2.gz	JDIQZAQFMWPYLA-GHMZBOCLSA-N	-1	1	380.430	2.022	20	5		GEBDMM
CC(=O)N(C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000833389097	605326262	/nfs/dbraw/zinc/32/62/62/605326262.db2.gz	DWEYFZCSVKDCPT-UHFFFAOYSA-N	-1	1	393.377	2.077	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21	ZINC000834183581	605328008	/nfs/dbraw/zinc/32/80/08/605328008.db2.gz	PNSFXVIVAILIRL-CWRNSKLLSA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031434	605523069	/nfs/dbraw/zinc/52/30/69/605523069.db2.gz	ZGUSOMVITCCIEA-YOEHRIQHSA-N	-1	1	390.440	2.065	20	5		GEBDMM
CCOCCOCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000821384281	606699544	/nfs/dbraw/zinc/69/95/44/606699544.db2.gz	SHJKJXTUOMSYKJ-UHFFFAOYSA-N	-1	1	385.384	2.467	20	5		GEBDMM
CCOCCOCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000821384281	606699546	/nfs/dbraw/zinc/69/95/46/606699546.db2.gz	SHJKJXTUOMSYKJ-UHFFFAOYSA-N	-1	1	385.384	2.467	20	5		GEBDMM
O=C1CCCCN1c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000823530655	606701740	/nfs/dbraw/zinc/70/17/40/606701740.db2.gz	OHZVCXKKAIWAFI-UHFFFAOYSA-N	-1	1	394.395	2.299	20	5		GEBDMM
O=C1CCCCN1c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000823530655	606701741	/nfs/dbraw/zinc/70/17/41/606701741.db2.gz	OHZVCXKKAIWAFI-UHFFFAOYSA-N	-1	1	394.395	2.299	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000823619740	606707559	/nfs/dbraw/zinc/70/75/59/606707559.db2.gz	AHNUZAXWBUFPGJ-ZDUSSCGKSA-N	-1	1	389.322	2.026	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000823619740	606707561	/nfs/dbraw/zinc/70/75/61/606707561.db2.gz	AHNUZAXWBUFPGJ-ZDUSSCGKSA-N	-1	1	389.322	2.026	20	5		GEBDMM
CC(C)Oc1cccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000820178086	606710310	/nfs/dbraw/zinc/71/03/10/606710310.db2.gz	HDKLNZLZDNQMNO-AWEZNQCLSA-N	-1	1	385.384	2.103	20	5		GEBDMM
CC(C)Oc1cccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000820178086	606710311	/nfs/dbraw/zinc/71/03/11/606710311.db2.gz	HDKLNZLZDNQMNO-AWEZNQCLSA-N	-1	1	385.384	2.103	20	5		GEBDMM
O=C(c1ccc(F)cc1)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1	ZINC000823488119	606712593	/nfs/dbraw/zinc/71/25/93/606712593.db2.gz	JDEABRFYRTYXQP-LBPRGKRZSA-N	-1	1	397.370	2.408	20	5		GEBDMM
O=C(c1ccc(F)cc1)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1	ZINC000823488119	606712594	/nfs/dbraw/zinc/71/25/94/606712594.db2.gz	JDEABRFYRTYXQP-LBPRGKRZSA-N	-1	1	397.370	2.408	20	5		GEBDMM
CCO[C@H](C)c1nc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1	ZINC000821347182	606713403	/nfs/dbraw/zinc/71/34/03/606713403.db2.gz	SKHRKUUMIWWTTB-SECBINFHSA-N	-1	1	390.429	2.360	20	5		GEBDMM
CCO[C@H](C)c1nc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1	ZINC000821347182	606713405	/nfs/dbraw/zinc/71/34/05/606713405.db2.gz	SKHRKUUMIWWTTB-SECBINFHSA-N	-1	1	390.429	2.360	20	5		GEBDMM
Cc1cccc(C2(O)CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1C	ZINC000822299158	606714271	/nfs/dbraw/zinc/71/42/71/606714271.db2.gz	ACEKTPASWZPJCO-UHFFFAOYSA-N	-1	1	395.423	2.275	20	5		GEBDMM
Cc1cccc(C2(O)CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1C	ZINC000822299158	606714272	/nfs/dbraw/zinc/71/42/72/606714272.db2.gz	ACEKTPASWZPJCO-UHFFFAOYSA-N	-1	1	395.423	2.275	20	5		GEBDMM
COc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(Cl)c1	ZINC000821790164	606722051	/nfs/dbraw/zinc/72/20/51/606722051.db2.gz	IPYMQDVASOAWGU-UHFFFAOYSA-N	-1	1	375.776	2.487	20	5		GEBDMM
COc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(Cl)c1	ZINC000821790164	606722053	/nfs/dbraw/zinc/72/20/53/606722053.db2.gz	IPYMQDVASOAWGU-UHFFFAOYSA-N	-1	1	375.776	2.487	20	5		GEBDMM
CC[C@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820980678	606734002	/nfs/dbraw/zinc/73/40/02/606734002.db2.gz	MJVLDROLZCJBNG-NSHDSACASA-N	-1	1	380.430	2.118	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1-c1nn[n-]n1	ZINC000823647104	606735643	/nfs/dbraw/zinc/73/56/43/606735643.db2.gz	FYYCAYVISIGHJX-UHFFFAOYSA-N	-1	1	392.441	2.120	20	5		GEBDMM
CCCC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCC1	ZINC000821043194	606736399	/nfs/dbraw/zinc/73/63/99/606736399.db2.gz	MQWCKIYJOUTHJG-GFCCVEGCSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CCc1nnc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)c(-c2nnn[n-]2)c1CC	ZINC000821547854	606935780	/nfs/dbraw/zinc/93/57/80/606935780.db2.gz	DKFOZKUPSWOFPY-UHFFFAOYSA-N	-1	1	399.367	2.269	20	5		GEBDMM
CCc1nnc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)c(-c2nn[n-]n2)c1CC	ZINC000821547854	606935781	/nfs/dbraw/zinc/93/57/81/606935781.db2.gz	DKFOZKUPSWOFPY-UHFFFAOYSA-N	-1	1	399.367	2.269	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1	ZINC000826498354	607868341	/nfs/dbraw/zinc/86/83/41/607868341.db2.gz	QYLYXANUVJJZTM-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1	ZINC000826498354	607868342	/nfs/dbraw/zinc/86/83/42/607868342.db2.gz	QYLYXANUVJJZTM-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826453267	608844945	/nfs/dbraw/zinc/84/49/45/608844945.db2.gz	DAVPOMWQIGADIQ-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826453267	608844948	/nfs/dbraw/zinc/84/49/48/608844948.db2.gz	DAVPOMWQIGADIQ-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000506666608	650448797	/nfs/dbraw/zinc/44/87/97/650448797.db2.gz	VFGYEJKOMDKVIZ-JTQLQIEISA-N	-1	1	398.144	2.461	20	5		GEBDMM
O=C(CC1CCCCC1)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000508003005	650472411	/nfs/dbraw/zinc/47/24/11/650472411.db2.gz	VURKBYROPFVSGG-UHFFFAOYSA-N	-1	1	375.472	2.021	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1	ZINC000511162429	650528676	/nfs/dbraw/zinc/52/86/76/650528676.db2.gz	VQNCDMQSANLOIY-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(F)cc(Br)c1	ZINC000525186383	650651177	/nfs/dbraw/zinc/65/11/77/650651177.db2.gz	VELOVDRZCQLACW-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2Cl)c([N+](=O)[O-])n1	ZINC000533633598	650764050	/nfs/dbraw/zinc/76/40/50/650764050.db2.gz	TXMKQRNIZWXVHR-JTQLQIEISA-N	-1	1	388.833	2.210	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Nc1ccc(Cl)cc1	ZINC000053671636	642735146	/nfs/dbraw/zinc/73/51/46/642735146.db2.gz	OAQCUJUXNJLPHS-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)s1	ZINC000064244835	642871337	/nfs/dbraw/zinc/87/13/37/642871337.db2.gz	VIXCINCDPKSWEP-UHFFFAOYSA-N	-1	1	378.435	2.380	20	5		GEBDMM
COc1ccc(Br)cc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000493668799	650795970	/nfs/dbraw/zinc/79/59/70/650795970.db2.gz	HMEGHSSQXABXEO-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
CN(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(F)(F)F	ZINC000101571978	643109041	/nfs/dbraw/zinc/10/90/41/643109041.db2.gz	LFTLBEGHIPJTCD-UHFFFAOYSA-N	-1	1	389.783	2.411	20	5		GEBDMM
CN(C)C(=O)C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1	ZINC000113304538	643394248	/nfs/dbraw/zinc/39/42/48/643394248.db2.gz	FBQBZMUPRCIYNH-UHFFFAOYSA-N	-1	1	389.861	2.175	20	5		GEBDMM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCO1	ZINC000128760410	643810669	/nfs/dbraw/zinc/81/06/69/643810669.db2.gz	JFFGTGNQPLATCF-LBPRGKRZSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC1(c2nn[n-]n2)CCCC1	ZINC000541433349	650875885	/nfs/dbraw/zinc/87/58/85/650875885.db2.gz	FLUHTWDVMQALCB-UHFFFAOYSA-N	-1	1	382.833	2.439	20	5		GEBDMM
CCC(CC)(CO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000159220963	644181680	/nfs/dbraw/zinc/18/16/80/644181680.db2.gz	TXYSNDFMZBXECO-UHFFFAOYSA-N	-1	1	395.275	2.434	20	5		GEBDMM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000170662995	644284755	/nfs/dbraw/zinc/28/47/55/644284755.db2.gz	BOTFYCCVOQLLOF-UHFFFAOYSA-N	-1	1	377.850	2.175	20	5		GEBDMM
CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443302073	648870891	/nfs/dbraw/zinc/87/08/91/648870891.db2.gz	OHFRBMDUZZQOTF-NOZJJQNGSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCO2	ZINC000725819546	651479912	/nfs/dbraw/zinc/47/99/12/651479912.db2.gz	XDZYQRGGRPFNTH-UHFFFAOYSA-N	-1	1	384.797	2.498	20	5		GEBDMM
Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000565646740	651595517	/nfs/dbraw/zinc/59/55/17/651595517.db2.gz	DJOXMBSUFBGNHF-SECBINFHSA-N	-1	1	395.217	2.199	20	5		GEBDMM
C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCOC1	ZINC000611314452	651720050	/nfs/dbraw/zinc/72/00/50/651720050.db2.gz	UKPBOEQEWBCSQZ-GFCCVEGCSA-N	-1	1	379.232	2.205	20	5		GEBDMM
COC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000574723457	652038662	/nfs/dbraw/zinc/03/86/62/652038662.db2.gz	KIABOUXQKXPIGD-LBPRGKRZSA-N	-1	1	385.829	2.352	20	5		GEBDMM
CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000745938061	652088206	/nfs/dbraw/zinc/08/82/06/652088206.db2.gz	VTMWQSFDPSENJN-UHFFFAOYSA-N	-1	1	379.460	2.238	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccc(F)n1	ZINC000747910056	652185384	/nfs/dbraw/zinc/18/53/84/652185384.db2.gz	JOOLNUVKANAMPP-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000755165586	652459266	/nfs/dbraw/zinc/45/92/66/652459266.db2.gz	HHUCUWLHUUOQFP-VIFPVBQESA-N	-1	1	393.849	2.440	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1	ZINC000755978561	652483104	/nfs/dbraw/zinc/48/31/04/652483104.db2.gz	RGMZOUDWOJZJCQ-UHFFFAOYSA-N	-1	1	382.829	2.437	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1ccncc1	ZINC000757724790	652521235	/nfs/dbraw/zinc/52/12/35/652521235.db2.gz	QFSYBNVCYZIMQW-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1O	ZINC000588145690	652549442	/nfs/dbraw/zinc/54/94/42/652549442.db2.gz	FCVZQTLTKGFVBL-ZYHUDNBSSA-N	-1	1	393.259	2.329	20	5		GEBDMM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809808646	653296470	/nfs/dbraw/zinc/29/64/70/653296470.db2.gz	CEPCRAWEIQVPOY-UHFFFAOYSA-N	-1	1	395.840	2.314	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C	ZINC000809805861	653296837	/nfs/dbraw/zinc/29/68/37/653296837.db2.gz	QDUBNJKZSWNFQE-NSHDSACASA-N	-1	1	385.225	2.378	20	5		GEBDMM
NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000809819199	653300755	/nfs/dbraw/zinc/30/07/55/653300755.db2.gz	WZTAGZPCVLBXPE-HTQZYQBOSA-N	-1	1	396.252	2.224	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)cc1Cl	ZINC000809819155	653300980	/nfs/dbraw/zinc/30/09/80/653300980.db2.gz	WLEQCPRZFAUYDI-SECBINFHSA-N	-1	1	392.792	2.110	20	5		GEBDMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000809825662	653303257	/nfs/dbraw/zinc/30/32/57/653303257.db2.gz	RAMCGXHVNHEURP-SNVBAGLBSA-N	-1	1	380.781	2.007	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1=O	ZINC000809841206	653308416	/nfs/dbraw/zinc/30/84/16/653308416.db2.gz	AAHNUZRKGRVROL-SECBINFHSA-N	-1	1	393.824	2.067	20	5		GEBDMM
COCC[C@]1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOC1	ZINC000809840487	653308475	/nfs/dbraw/zinc/30/84/75/653308475.db2.gz	QVLOAPUVOSFLFT-ZDUSSCGKSA-N	-1	1	399.252	2.376	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000778050530	653422470	/nfs/dbraw/zinc/42/24/70/653422470.db2.gz	QAAYYPHGWUXCMJ-UHFFFAOYSA-N	-1	1	386.773	2.072	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H]1CCCOC1	ZINC000859251457	653429452	/nfs/dbraw/zinc/42/94/52/653429452.db2.gz	DBKUFHMYGQAMJG-SNVBAGLBSA-N	-1	1	393.259	2.452	20	5		GEBDMM
COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000859286225	653433243	/nfs/dbraw/zinc/43/32/43/653433243.db2.gz	LCBRQOFHCLTWDF-MRVPVSSYSA-N	-1	1	395.220	2.442	20	5		GEBDMM
COc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])ccn1	ZINC000814982880	653641885	/nfs/dbraw/zinc/64/18/85/653641885.db2.gz	RWQKTPKOSLSVRO-UHFFFAOYSA-N	-1	1	375.765	2.269	20	5		GEBDMM
CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815022401	653644923	/nfs/dbraw/zinc/64/49/23/653644923.db2.gz	XXSWDCCFVOIUNC-CYBMUJFWSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCCC12OCCO2	ZINC000815028031	653645658	/nfs/dbraw/zinc/64/56/58/653645658.db2.gz	OOEGBTHQOMUZRJ-ZDUSSCGKSA-N	-1	1	394.808	2.351	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCCC12OCCO2	ZINC000815028030	653645698	/nfs/dbraw/zinc/64/56/98/653645698.db2.gz	OOEGBTHQOMUZRJ-CYBMUJFWSA-N	-1	1	394.808	2.351	20	5		GEBDMM
CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815028736	653645842	/nfs/dbraw/zinc/64/58/42/653645842.db2.gz	DZAVYSBJNPRALK-QMMMGPOBSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CC(C)(C)OC(=O)NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1	ZINC000784407929	653693421	/nfs/dbraw/zinc/69/34/21/653693421.db2.gz	QYZIVSGAKLKGNB-UHFFFAOYSA-N	-1	1	391.471	2.382	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1(O)CCOCC1	ZINC000841575712	653737170	/nfs/dbraw/zinc/73/71/70/653737170.db2.gz	XDENJJNJHVADQW-UHFFFAOYSA-N	-1	1	392.861	2.094	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C[C@H](C)O	ZINC000795855354	653971554	/nfs/dbraw/zinc/97/15/54/653971554.db2.gz	JKHOVRWKKZBPKD-SFYZADRCSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1	ZINC000849414542	654027167	/nfs/dbraw/zinc/02/71/67/654027167.db2.gz	KIPRQGXHTMQCGH-UFBFGSQYSA-N	-1	1	399.252	2.231	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)c1Cl	ZINC000830191237	654104967	/nfs/dbraw/zinc/10/49/67/654104967.db2.gz	ZBZAFBSLBHRIDR-MRVPVSSYSA-N	-1	1	380.253	2.417	20	5		GEBDMM
NC(=O)C1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCCC1	ZINC000830535007	654124882	/nfs/dbraw/zinc/12/48/82/654124882.db2.gz	MEMITNFWRLZYJJ-UHFFFAOYSA-N	-1	1	396.252	2.226	20	5		GEBDMM
CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000830872307	654148131	/nfs/dbraw/zinc/14/81/31/654148131.db2.gz	AYASQPUGZIRELJ-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000832241662	654252182	/nfs/dbraw/zinc/25/21/82/654252182.db2.gz	CCIKGMVTRBNWMZ-KCJUWKMLSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=C([O-])[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCC1	ZINC000853025004	654272893	/nfs/dbraw/zinc/27/28/93/654272893.db2.gz	QXHKKRHWOOGMIP-VIFPVBQESA-N	-1	1	380.781	2.167	20	5		GEBDMM
O=C([O-])C1=CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000853069275	654276140	/nfs/dbraw/zinc/27/61/40/654276140.db2.gz	NEMRAPRKIVEJOZ-QMMMGPOBSA-N	-1	1	381.193	2.353	20	5		GEBDMM
CC(C)(C)CNC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000120641500	531986871	/nfs/dbraw/zinc/98/68/71/531986871.db2.gz	YQIGQSNQBWWNHU-UHFFFAOYSA-N	-1	1	391.877	2.467	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](O)C1	ZINC000121766483	532047429	/nfs/dbraw/zinc/04/74/29/532047429.db2.gz	XIAWRJGWUDSEAS-KOLCDFICSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CC[S@@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000175647431	532109784	/nfs/dbraw/zinc/10/97/84/532109784.db2.gz	PIUPVPGIUPFGDJ-XMWNIVNYSA-N	-1	1	378.447	2.092	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CCOCC1	ZINC000132996642	532224313	/nfs/dbraw/zinc/22/43/13/532224313.db2.gz	QCIPPHBXZQGMMO-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@@H]1CCOC1	ZINC000135110313	532267560	/nfs/dbraw/zinc/26/75/60/532267560.db2.gz	BQNTVZCAYWZWQW-DTWKUNHWSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(O)(c3cccnc3)CC2)s1	ZINC000185164120	532337134	/nfs/dbraw/zinc/33/71/34/532337134.db2.gz	PMBBFEBIARJSFK-UHFFFAOYSA-N	-1	1	383.451	2.160	20	5		GEBDMM
CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1	ZINC000186218298	532340298	/nfs/dbraw/zinc/34/02/98/532340298.db2.gz	IWEFWXYFRYRFLO-UHFFFAOYSA-N	-1	1	375.428	2.438	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12	ZINC000190639992	532357234	/nfs/dbraw/zinc/35/72/34/532357234.db2.gz	GUYPCADEFBYOJT-CKYFFXLPSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(C2N=NC(=O)O2)CC1	ZINC000425319862	532382653	/nfs/dbraw/zinc/38/26/53/532382653.db2.gz	KGJYGWQSQCGYMB-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000425319862	532382661	/nfs/dbraw/zinc/38/26/61/532382661.db2.gz	KGJYGWQSQCGYMB-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=C(CCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)NC1CC1	ZINC000295161464	532412018	/nfs/dbraw/zinc/41/20/18/532412018.db2.gz	DNKYEHHRDFPGMP-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@@H](O)C(F)F	ZINC000295817943	532478871	/nfs/dbraw/zinc/47/88/71/532478871.db2.gz	UOBQEDGQMSOTPT-WCBMZHEXSA-N	-1	1	392.302	2.297	20	5		GEBDMM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000230154051	532491565	/nfs/dbraw/zinc/49/15/65/532491565.db2.gz	HDBHJXUSHPWJEH-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
CO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F	ZINC000469321460	532501047	/nfs/dbraw/zinc/50/10/47/532501047.db2.gz	JSKZKHXBYUJUJO-SNVBAGLBSA-N	-1	1	376.740	2.494	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12	ZINC000249466198	532565961	/nfs/dbraw/zinc/56/59/61/532565961.db2.gz	GUYPCADEFBYOJT-HOSYDEDBSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])n1	ZINC000533175009	532662788	/nfs/dbraw/zinc/66/27/88/532662788.db2.gz	VXKSOXKDNLTIIR-LLVKDONJSA-N	-1	1	386.817	2.267	20	5		GEBDMM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000285564815	532692330	/nfs/dbraw/zinc/69/23/30/532692330.db2.gz	JIBRXTJLEMEFRG-OIBJUYFYSA-N	-1	1	397.222	2.200	20	5		GEBDMM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000286272093	532737859	/nfs/dbraw/zinc/73/78/59/532737859.db2.gz	FBKKUVRKUIIVHN-MRVPVSSYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1	ZINC000501154855	532737923	/nfs/dbraw/zinc/73/79/23/532737923.db2.gz	JJWSLHCWQRJINA-LBPRGKRZSA-N	-1	1	388.804	2.269	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)s1	ZINC000580989645	532751601	/nfs/dbraw/zinc/75/16/01/532751601.db2.gz	UHANDNZZRMCUQW-SNVBAGLBSA-N	-1	1	378.497	2.379	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1	ZINC000542147241	532765579	/nfs/dbraw/zinc/76/55/79/532765579.db2.gz	ZZKPEBQIELLOPZ-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1nccs1	ZINC000326853012	532790855	/nfs/dbraw/zinc/79/08/55/532790855.db2.gz	QSACUTIMBSKZSH-NSHDSACASA-N	-1	1	385.423	2.268	20	5		GEBDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271197327	532804690	/nfs/dbraw/zinc/80/46/90/532804690.db2.gz	AUEWANYFFLOBJI-PSASIEDQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000331200081	532835501	/nfs/dbraw/zinc/83/55/01/532835501.db2.gz	WGYLJSUHELFUNP-CHWSQXEVSA-N	-1	1	393.259	2.187	20	5		GEBDMM
COCCOCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000289033884	532845208	/nfs/dbraw/zinc/84/52/08/532845208.db2.gz	DKCBMHZXGOAIMI-UHFFFAOYSA-N	-1	1	387.241	2.233	20	5		GEBDMM
CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000289838620	532866080	/nfs/dbraw/zinc/86/60/80/532866080.db2.gz	LRNULZLLQMOJNM-ZETCQYMHSA-N	-1	1	384.241	2.047	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ncnn1C	ZINC000289847106	532866245	/nfs/dbraw/zinc/86/62/45/532866245.db2.gz	MCYXXPCGKQKGBY-ZCFIWIBFSA-N	-1	1	380.213	2.070	20	5		GEBDMM
C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000290722610	532887828	/nfs/dbraw/zinc/88/78/28/532887828.db2.gz	KMTYQVMTGDTINW-IUCAKERBSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1	ZINC000736692783	599085260	/nfs/dbraw/zinc/08/52/60/599085260.db2.gz	YNDPJFHSLJJUGN-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
O=[N+]([O-])c1cc(N2CCC(c3nnc4ccccn43)CC2)ccc1-c1nn[n-]n1	ZINC000823634225	607345643	/nfs/dbraw/zinc/34/56/43/607345643.db2.gz	DWMMTOUGAPBRQX-UHFFFAOYSA-N	-1	1	391.395	2.202	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1	ZINC000737372757	598595294	/nfs/dbraw/zinc/59/52/94/598595294.db2.gz	JTKANFUTUAXPDF-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1[N+](=O)[O-]	ZINC000737370881	598595597	/nfs/dbraw/zinc/59/55/97/598595597.db2.gz	XIZPTJVZHKMVHM-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(=O)[O-]	ZINC000831327323	600687795	/nfs/dbraw/zinc/68/77/95/600687795.db2.gz	HJZRGIQOBIMSKB-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
CCN(CCC(=O)[O-])CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000829702030	600993226	/nfs/dbraw/zinc/99/32/26/600993226.db2.gz	ZSSMEPCHKUODPT-UHFFFAOYSA-N	-1	1	378.410	2.453	20	5		GEBDMM
COc1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000739922011	601934116	/nfs/dbraw/zinc/93/41/16/601934116.db2.gz	WXPFJABPVKMPEW-UHFFFAOYSA-N	-1	1	392.412	2.149	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1	ZINC000826105988	602219138	/nfs/dbraw/zinc/21/91/38/602219138.db2.gz	OMCBZVISNJDESZ-ZDUSSCGKSA-N	-1	1	379.394	2.120	20	5		GEBDMM
O=C([O-])NCCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000740669298	602448246	/nfs/dbraw/zinc/44/82/46/602448246.db2.gz	WDGDBNXIWXBXNQ-UHFFFAOYSA-N	-1	1	381.366	2.042	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NC2CCCCCCC2)c1-c1nn[n-]n1	ZINC000826500310	607575023	/nfs/dbraw/zinc/57/50/23/607575023.db2.gz	SXKURHQPGQLTTD-UHFFFAOYSA-N	-1	1	380.430	2.166	20	5		GEBDMM
CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825194409	607586949	/nfs/dbraw/zinc/58/69/49/607586949.db2.gz	QOSQZWBTRIKMMX-GHMZBOCLSA-N	-1	1	380.430	2.022	20	5		GEBDMM
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1	ZINC000739872052	602829993	/nfs/dbraw/zinc/82/99/93/602829993.db2.gz	OTWVXKWHWBNJCL-VXGBXAGGSA-N	-1	1	380.401	2.005	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1	ZINC000739931057	602835462	/nfs/dbraw/zinc/83/54/62/602835462.db2.gz	CCYNBUGWMNUKAT-TXEJJXNPSA-N	-1	1	380.401	2.005	20	5		GEBDMM
O=C([O-])N1CCN(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000740527231	602877330	/nfs/dbraw/zinc/87/73/30/602877330.db2.gz	PODXPBURRZANCM-UHFFFAOYSA-N	-1	1	391.453	2.104	20	5		GEBDMM
CC(C)CN(C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824255764	607600085	/nfs/dbraw/zinc/60/00/85/607600085.db2.gz	WWWQNXOTPANXFX-UHFFFAOYSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1	ZINC000826498024	607605854	/nfs/dbraw/zinc/60/58/54/607605854.db2.gz	DTBWRHAQXCCPJX-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
C[C@H]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824925258	607616529	/nfs/dbraw/zinc/61/65/29/607616529.db2.gz	CHYRSPUCMDGSEG-NWDGAFQWSA-N	-1	1	394.457	2.270	20	5		GEBDMM
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCCC1	ZINC000824641555	607645299	/nfs/dbraw/zinc/64/52/99/607645299.db2.gz	WVSYEOCUSIGOSW-JTQLQIEISA-N	-1	1	380.430	2.022	20	5		GEBDMM
CC1(C)CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824802633	607669090	/nfs/dbraw/zinc/66/90/90/607669090.db2.gz	NMXIETWZVOPEEY-LBPRGKRZSA-N	-1	1	380.430	2.022	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1C(=O)[O-]	ZINC000833734663	604859571	/nfs/dbraw/zinc/85/95/71/604859571.db2.gz	RUAHSEAHQKAMRU-UHFFFAOYSA-N	-1	1	396.377	2.419	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833908006	605450340	/nfs/dbraw/zinc/45/03/40/605450340.db2.gz	YXRNKUDMRREIGL-CFVMTHIKSA-N	-1	1	376.413	2.210	20	5		GEBDMM
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1	ZINC000833791189	605450404	/nfs/dbraw/zinc/45/04/04/605450404.db2.gz	SVZWURGYVOWMRZ-GUYJKWIASA-N	-1	1	376.413	2.290	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1	ZINC000833908007	605450490	/nfs/dbraw/zinc/45/04/90/605450490.db2.gz	YXRNKUDMRREIGL-NWANDNLSSA-N	-1	1	376.413	2.210	20	5		GEBDMM
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC2(C1)CCN(C(=O)[O-])CC2	ZINC000833789413	605895814	/nfs/dbraw/zinc/89/58/14/605895814.db2.gz	JLCWVAWYRKXHPM-ZDUSSCGKSA-N	-1	1	376.413	2.388	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000820513233	606138998	/nfs/dbraw/zinc/13/89/98/606138998.db2.gz	XYNUCWJYQBZMCR-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000820513233	606138999	/nfs/dbraw/zinc/13/89/99/606138999.db2.gz	XYNUCWJYQBZMCR-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
COc1cccc(N2CCC[C@H](Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1	ZINC000821871622	606711230	/nfs/dbraw/zinc/71/12/30/606711230.db2.gz	BMWVLTZGPAIUPE-LBPRGKRZSA-N	-1	1	396.411	2.259	20	5		GEBDMM
COc1cccc(N2CCC[C@H](Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1	ZINC000821871622	606711231	/nfs/dbraw/zinc/71/12/31/606711231.db2.gz	BMWVLTZGPAIUPE-LBPRGKRZSA-N	-1	1	396.411	2.259	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc(-c2cccc(Cl)c2)no1	ZINC000823624784	606711689	/nfs/dbraw/zinc/71/16/89/606711689.db2.gz	JJNIBIWIPZAMBX-UHFFFAOYSA-N	-1	1	399.758	2.485	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc(-c2cccc(Cl)c2)no1	ZINC000823624784	606711690	/nfs/dbraw/zinc/71/16/90/606711690.db2.gz	JJNIBIWIPZAMBX-UHFFFAOYSA-N	-1	1	399.758	2.485	20	5		GEBDMM
CC(C)CN(CC(C)(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820087634	606794327	/nfs/dbraw/zinc/79/43/27/606794327.db2.gz	UXGZZUHSYXIYBN-UHFFFAOYSA-N	-1	1	396.473	2.468	20	5		GEBDMM
Cc1ccc(C)c(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)c1	ZINC000822231690	607038689	/nfs/dbraw/zinc/03/86/89/607038689.db2.gz	DAYWPKKSCXDOOW-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
Cc1ccc(C)c(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)c1	ZINC000822231690	607038691	/nfs/dbraw/zinc/03/86/91/607038691.db2.gz	DAYWPKKSCXDOOW-UHFFFAOYSA-N	-1	1	380.412	2.113	20	5		GEBDMM
O=C(Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)[C@@H]1CCCO1	ZINC000823350666	607167922	/nfs/dbraw/zinc/16/79/22/607167922.db2.gz	WFAOUILIKLVBGJ-ZDUSSCGKSA-N	-1	1	396.367	2.031	20	5		GEBDMM
O=C(Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)[C@@H]1CCCO1	ZINC000823350666	607167924	/nfs/dbraw/zinc/16/79/24/607167924.db2.gz	WFAOUILIKLVBGJ-ZDUSSCGKSA-N	-1	1	396.367	2.031	20	5		GEBDMM
Cc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c([N+](=O)[O-])c1	ZINC000826290191	607819001	/nfs/dbraw/zinc/81/90/01/607819001.db2.gz	FEFIWOPFBYAXLP-UHFFFAOYSA-N	-1	1	396.411	2.275	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1F	ZINC000826272253	607962763	/nfs/dbraw/zinc/96/27/63/607962763.db2.gz	AKXYTASUOIGVAA-UHFFFAOYSA-N	-1	1	396.335	2.162	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nnn[n-]2)nn1	ZINC000826497630	608430971	/nfs/dbraw/zinc/43/09/71/608430971.db2.gz	NWCMEAHEDYVNIT-UHFFFAOYSA-N	-1	1	380.187	2.479	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1Sc1ccc(-c2nn[n-]n2)nn1	ZINC000826497630	608430974	/nfs/dbraw/zinc/43/09/74/608430974.db2.gz	NWCMEAHEDYVNIT-UHFFFAOYSA-N	-1	1	380.187	2.479	20	5		GEBDMM
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nnn[n-]2)nc1	ZINC000826455632	609239100	/nfs/dbraw/zinc/23/91/00/609239100.db2.gz	XFOPXVLOSDUQGS-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=C(Nc1ccc([N+](=O)[O-])c(Br)c1)c1ccc(-c2nn[n-]n2)nc1	ZINC000826455632	609239102	/nfs/dbraw/zinc/23/91/02/609239102.db2.gz	XFOPXVLOSDUQGS-UHFFFAOYSA-N	-1	1	390.157	2.185	20	5		GEBDMM
O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1	ZINC000826450965	609392825	/nfs/dbraw/zinc/39/28/25/609392825.db2.gz	KNCAZSGCJUJWFD-UHFFFAOYSA-N	-1	1	376.279	2.211	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCOC1	ZINC000503830203	650422952	/nfs/dbraw/zinc/42/29/52/650422952.db2.gz	PIOUUBWJIDRFHI-UWVGGRQHSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=C([N-]c1nncs1)c1ccc([N+](=O)[O-])cc1I	ZINC000511028545	650523761	/nfs/dbraw/zinc/52/37/61/650523761.db2.gz	KZOVLQPUQQEPIZ-UHFFFAOYSA-N	-1	1	376.135	2.303	20	5		GEBDMM
CS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-]	ZINC000513291819	650560908	/nfs/dbraw/zinc/56/09/08/650560908.db2.gz	RVPIGKKKOAAAER-UHFFFAOYSA-N	-1	1	396.328	2.121	20	5		GEBDMM
COc1cccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1	ZINC000476898612	650562650	/nfs/dbraw/zinc/56/26/50/650562650.db2.gz	QYRAXHZRBOLTOB-NSHDSACASA-N	-1	1	383.451	2.222	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)N(C)C	ZINC000518372767	650604040	/nfs/dbraw/zinc/60/40/40/650604040.db2.gz	HOUPNGLQVYAPQM-UHFFFAOYSA-N	-1	1	385.423	2.168	20	5		GEBDMM
C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000101570073	643108865	/nfs/dbraw/zinc/10/88/65/643108865.db2.gz	XQRPYAGIRBGZKZ-TXEJJXNPSA-N	-1	1	391.877	2.026	20	5		GEBDMM
CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119132232	643537819	/nfs/dbraw/zinc/53/78/19/643537819.db2.gz	UTTMEEQGZFTAEQ-LBPRGKRZSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1(CCO)CCC1	ZINC000127337840	643771477	/nfs/dbraw/zinc/77/14/77/643771477.db2.gz	RLPIXWSARPOHMX-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)ccc1Br	ZINC000130756216	643849255	/nfs/dbraw/zinc/84/92/55/643849255.db2.gz	CLKQVZQXWBRLPG-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
C[C@@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000500097686	650896607	/nfs/dbraw/zinc/89/66/07/650896607.db2.gz	KANFMEVLKFNMGQ-LBPRGKRZSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CC1([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOCC1	ZINC000159023721	644172516	/nfs/dbraw/zinc/17/25/16/644172516.db2.gz	YMVBKYRESMKGPF-UHFFFAOYSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)s1	ZINC000188559126	645119134	/nfs/dbraw/zinc/11/91/34/645119134.db2.gz	PPNUEIZTQKILNP-GZMMTYOYSA-N	-1	1	388.389	2.418	20	5		GEBDMM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1[N+](=O)[O-]	ZINC000546534591	651001312	/nfs/dbraw/zinc/00/13/12/651001312.db2.gz	YFPLCVBEOJGNIP-XMMPIXPASA-N	-1	1	384.435	2.283	20	5		GEBDMM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000270220663	646093096	/nfs/dbraw/zinc/09/30/96/646093096.db2.gz	HLJWJJMFQLAZMB-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCCCO1	ZINC000330530705	647342540	/nfs/dbraw/zinc/34/25/40/647342540.db2.gz	MXVBSZQSUQWBJN-SNVBAGLBSA-N	-1	1	379.232	2.205	20	5		GEBDMM
C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1	ZINC000416526004	648159908	/nfs/dbraw/zinc/15/99/08/648159908.db2.gz	AUMFSXMXMRFLNE-PSASIEDQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)O1	ZINC000416606423	648184791	/nfs/dbraw/zinc/18/47/91/648184791.db2.gz	NUBFHFXSNMHUFN-BBBLOLIVSA-N	-1	1	393.259	2.449	20	5		GEBDMM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F	ZINC000548862095	651087758	/nfs/dbraw/zinc/08/77/58/651087758.db2.gz	IZDOQRGTEICMKI-UHFFFAOYSA-N	-1	1	384.332	2.248	20	5		GEBDMM
CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000731713173	651633160	/nfs/dbraw/zinc/63/31/60/651633160.db2.gz	VQHXQJRVPYGQED-UHFFFAOYSA-N	-1	1	384.391	2.068	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)no1	ZINC000742282154	651972735	/nfs/dbraw/zinc/97/27/35/651972735.db2.gz	NHUTXMKXSBXPHE-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CC(C)(C)OC(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000742648389	651995544	/nfs/dbraw/zinc/99/55/44/651995544.db2.gz	ZXCUSIDMSOTJTR-UHFFFAOYSA-N	-1	1	379.822	2.051	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000751420909	652346715	/nfs/dbraw/zinc/34/67/15/652346715.db2.gz	YCYQIVPUWMCQGT-LLVKDONJSA-N	-1	1	392.220	2.309	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1Cl	ZINC000751480615	652355885	/nfs/dbraw/zinc/35/58/85/652355885.db2.gz	ZPEWTQOSEZJRRW-AMIZOPFISA-N	-1	1	389.792	2.183	20	5		GEBDMM
CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000751979750	652374918	/nfs/dbraw/zinc/37/49/18/652374918.db2.gz	BMUCXYVHWKLXGL-NSHDSACASA-N	-1	1	376.818	2.258	20	5		GEBDMM
C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000590175555	652575912	/nfs/dbraw/zinc/57/59/12/652575912.db2.gz	DCCOTQPIRTZLBI-TVQRCGJNSA-N	-1	1	393.259	2.187	20	5		GEBDMM
COc1ccc(Cl)cc1C(C)(C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599330350	652861223	/nfs/dbraw/zinc/86/12/23/652861223.db2.gz	KKOPKLOSLHTXKE-UHFFFAOYSA-N	-1	1	388.833	2.204	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC[C@H]1CCCOC1	ZINC000599363754	652864102	/nfs/dbraw/zinc/86/41/02/652864102.db2.gz	DANRMSSYYNRUQS-SNVBAGLBSA-N	-1	1	393.259	2.452	20	5		GEBDMM
Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000599369085	652864997	/nfs/dbraw/zinc/86/49/97/652864997.db2.gz	JPZZMAPDAPBUBI-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1	ZINC000805150403	653102134	/nfs/dbraw/zinc/10/21/34/653102134.db2.gz	LLJXKHMBAUPGHB-UHFFFAOYSA-N	-1	1	378.744	2.454	20	5		GEBDMM
CN(C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768843563	653130862	/nfs/dbraw/zinc/13/08/62/653130862.db2.gz	WADLMCZLDKSEJB-UHFFFAOYSA-N	-1	1	384.439	2.228	20	5		GEBDMM
CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21	ZINC000768865670	653133826	/nfs/dbraw/zinc/13/38/26/653133826.db2.gz	KNYDAFAZQMVTPE-CYBMUJFWSA-N	-1	1	381.435	2.433	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)cn1	ZINC000775200740	653304397	/nfs/dbraw/zinc/30/43/97/653304397.db2.gz	DTQVJCKIOLABNC-UHFFFAOYSA-N	-1	1	375.204	2.375	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])NC1CCCCC1	ZINC000815007722	653642807	/nfs/dbraw/zinc/64/28/07/653642807.db2.gz	XJTJEQHHKITPHE-UHFFFAOYSA-N	-1	1	393.824	2.115	20	5		GEBDMM
Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815009598	653642999	/nfs/dbraw/zinc/64/29/99/653642999.db2.gz	MVLUGPRKCPYPDK-QMMMGPOBSA-N	-1	1	376.797	2.469	20	5		GEBDMM
Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815009597	653643044	/nfs/dbraw/zinc/64/30/44/653643044.db2.gz	MVLUGPRKCPYPDK-MRVPVSSYSA-N	-1	1	376.797	2.469	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000815014399	653643716	/nfs/dbraw/zinc/64/37/16/653643716.db2.gz	MWQWEHSKMOPXEP-SSDOTTSWSA-N	-1	1	382.797	2.396	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)Cc1ccco1	ZINC000815016496	653643893	/nfs/dbraw/zinc/64/38/93/653643893.db2.gz	IWXJSCXMDYYWDQ-VIFPVBQESA-N	-1	1	392.792	2.110	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1O	ZINC000815028192	653645683	/nfs/dbraw/zinc/64/56/83/653645683.db2.gz	SZVXBTPIKGNAMI-DZGCQCFKSA-N	-1	1	386.788	2.324	20	5		GEBDMM
CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000841532992	653728669	/nfs/dbraw/zinc/72/86/69/653728669.db2.gz	BETQNAXWXWTGIO-JTQLQIEISA-N	-1	1	383.209	2.132	20	5		GEBDMM
COCC[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000841554954	653732444	/nfs/dbraw/zinc/73/24/44/653732444.db2.gz	VGAIQTHYDQKOKY-MRVPVSSYSA-N	-1	1	399.238	2.447	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)O1	ZINC000841561849	653734323	/nfs/dbraw/zinc/73/43/23/653734323.db2.gz	YYRTXKFLMCYBER-KXUCPTDWSA-N	-1	1	393.259	2.449	20	5		GEBDMM
CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000882589347	653789899	/nfs/dbraw/zinc/78/98/99/653789899.db2.gz	GIQNIWVIMTTZIO-CZMCAQCFSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1F	ZINC000795268366	653941584	/nfs/dbraw/zinc/94/15/84/653941584.db2.gz	PYPQECVCBLJYAM-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
CCC(O)(CC)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795856487	653971505	/nfs/dbraw/zinc/97/15/05/653971505.db2.gz	QLAPMJYONWDBMW-UHFFFAOYSA-N	-1	1	399.238	2.326	20	5		GEBDMM
C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795927001	653977933	/nfs/dbraw/zinc/97/79/33/653977933.db2.gz	ADAXHLWAANFJAL-UFUPEUMYSA-N	-1	1	397.222	2.102	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000849423278	654030861	/nfs/dbraw/zinc/03/08/61/654030861.db2.gz	LIHBVCOEOHVADC-RAIGVLPGSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1COC2(CCC2)C1	ZINC000849449665	654038285	/nfs/dbraw/zinc/03/82/85/654038285.db2.gz	LIAXQCSCZUHSCM-SNVBAGLBSA-N	-1	1	391.243	2.347	20	5		GEBDMM
COC(=O)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1	ZINC000849468727	654043375	/nfs/dbraw/zinc/04/33/75/654043375.db2.gz	CRXPFXOWOZXYJD-SECBINFHSA-N	-1	1	394.808	2.255	20	5		GEBDMM
CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1	ZINC000798225726	654055140	/nfs/dbraw/zinc/05/51/40/654055140.db2.gz	INNKAVGSDAQZDM-UHFFFAOYSA-N	-1	1	388.808	2.327	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C	ZINC000829692360	654077026	/nfs/dbraw/zinc/07/70/26/654077026.db2.gz	KCMJVAAADKLOOC-JTQLQIEISA-N	-1	1	385.225	2.378	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H]1OC	ZINC000831106405	654164454	/nfs/dbraw/zinc/16/44/54/654164454.db2.gz	YOOJEABTAKCTKD-HLUHBDAQSA-N	-1	1	399.252	2.372	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[C@H]1OC	ZINC000831106459	654164460	/nfs/dbraw/zinc/16/44/60/654164460.db2.gz	YOOJEABTAKCTKD-MKPLZMMCSA-N	-1	1	399.252	2.372	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]([C@H]2CCOC2)C(F)(F)F)ccc1Cl	ZINC000903652542	654273174	/nfs/dbraw/zinc/27/31/74/654273174.db2.gz	KKEVRMCVCBWDOE-CPCISQLKSA-N	-1	1	388.751	2.494	20	5		GEBDMM
COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000153037300	531583693	/nfs/dbraw/zinc/58/36/93/531583693.db2.gz	VVPWOIJFXFUDOQ-NSHDSACASA-N	-1	1	383.451	2.222	20	5		GEBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1	ZINC000058496246	531832629	/nfs/dbraw/zinc/83/26/29/531832629.db2.gz	RJZLIZRXGOYFIG-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
CCCCOCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000171423372	531906455	/nfs/dbraw/zinc/90/64/55/531906455.db2.gz	SAJNEDKYBDXJRB-UHFFFAOYSA-N	-1	1	381.248	2.452	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2	ZINC000119509260	531971205	/nfs/dbraw/zinc/97/12/05/531971205.db2.gz	IJZMYAQNBIDRNQ-UHFFFAOYSA-N	-1	1	385.833	2.045	20	5		GEBDMM
CO[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000191046424	532359329	/nfs/dbraw/zinc/35/93/29/532359329.db2.gz	PWVMOLVDOFPZRK-NXEZZACHSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F	ZINC000469019583	532486605	/nfs/dbraw/zinc/48/66/05/532486605.db2.gz	PTMXDZCMJKTNIU-JTQLQIEISA-N	-1	1	376.740	2.494	20	5		GEBDMM
COC(=O)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1	ZINC000594860786	532536497	/nfs/dbraw/zinc/53/64/97/532536497.db2.gz	LLZOXWRUJNBKRD-SNVBAGLBSA-N	-1	1	376.818	2.116	20	5		GEBDMM
CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CO1	ZINC000594795410	532530869	/nfs/dbraw/zinc/53/08/69/532530869.db2.gz	MACDZPJIIAMZSF-VIFPVBQESA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)s1	ZINC000375713116	532578034	/nfs/dbraw/zinc/57/80/34/532578034.db2.gz	WHSDLXOKRNQYIC-UHFFFAOYSA-N	-1	1	384.370	2.324	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCOC1	ZINC000285135538	532649353	/nfs/dbraw/zinc/64/93/53/532649353.db2.gz	JRFGXMVGBJLZOL-QMMMGPOBSA-N	-1	1	397.222	2.201	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c([N+](=O)[O-])n1	ZINC000532855500	532658557	/nfs/dbraw/zinc/65/85/57/532658557.db2.gz	UHORRHRDDYHDME-UHFFFAOYSA-N	-1	1	395.260	2.114	20	5		GEBDMM
O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc([N+](=O)[O-])s1	ZINC000538884093	532722975	/nfs/dbraw/zinc/72/29/75/532722975.db2.gz	SKRISDPFJDURGK-UHFFFAOYSA-N	-1	1	383.407	2.055	20	5		GEBDMM
CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443323595	532746367	/nfs/dbraw/zinc/74/63/67/532746367.db2.gz	VWELGRDCNOILTE-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)s1	ZINC000443222725	532741681	/nfs/dbraw/zinc/74/16/81/532741681.db2.gz	FFSXUXIUZYSOPF-GXFFZTMASA-N	-1	1	392.405	2.172	20	5		GEBDMM
CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1	ZINC000735912621	599140592	/nfs/dbraw/zinc/14/05/92/599140592.db2.gz	GQWDSVJFYFTMRD-UHFFFAOYSA-N	-1	1	384.352	2.314	20	5		GEBDMM
CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1	ZINC000735912621	599140593	/nfs/dbraw/zinc/14/05/93/599140593.db2.gz	GQWDSVJFYFTMRD-UHFFFAOYSA-N	-1	1	384.352	2.314	20	5		GEBDMM
O=[N+]([O-])c1cc(N2CCC(OC[C@H]3CCCCO3)CC2)ccc1-c1nn[n-]n1	ZINC000823634685	607348374	/nfs/dbraw/zinc/34/83/74/607348374.db2.gz	JWMSMXZPLJTNCZ-OAHLLOKOSA-N	-1	1	388.428	2.329	20	5		GEBDMM
O=c1c(-c2nn[n-]n2)cn(CCOc2cccc([N+](=O)[O-])c2)c2ccccc12	ZINC000738371935	598504775	/nfs/dbraw/zinc/50/47/75/598504775.db2.gz	LXHHMOFIINUEMA-UHFFFAOYSA-N	-1	1	378.348	2.169	20	5		GEBDMM
Cc1cccc(C[C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(=O)[O-])c1	ZINC000237675897	600062492	/nfs/dbraw/zinc/06/24/92/600062492.db2.gz	HSLVACVNPCALAM-ZDUSSCGKSA-N	-1	1	382.376	2.453	20	5		GEBDMM
C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000824657206	607449945	/nfs/dbraw/zinc/44/99/45/607449945.db2.gz	PQXIMTOXEFQGAZ-JTQLQIEISA-N	-1	1	388.409	2.352	20	5		GEBDMM
C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000824657206	607449947	/nfs/dbraw/zinc/44/99/47/607449947.db2.gz	PQXIMTOXEFQGAZ-JTQLQIEISA-N	-1	1	388.409	2.352	20	5		GEBDMM
O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1)c1ccccc1	ZINC000826431752	607450786	/nfs/dbraw/zinc/45/07/86/607450786.db2.gz	JLQNEYJZIBVNTJ-UHFFFAOYSA-N	-1	1	393.407	2.174	20	5		GEBDMM
O=C(NC1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1)c1ccccc1	ZINC000826431752	607450788	/nfs/dbraw/zinc/45/07/88/607450788.db2.gz	JLQNEYJZIBVNTJ-UHFFFAOYSA-N	-1	1	393.407	2.174	20	5		GEBDMM
C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547939712	601224665	/nfs/dbraw/zinc/22/46/65/601224665.db2.gz	RVOCCVIOVVKCQK-QMTHXVAHSA-N	-1	1	382.369	2.474	20	5		GEBDMM
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1	ZINC000826500927	607572742	/nfs/dbraw/zinc/57/27/42/607572742.db2.gz	RTZLRYCVYHKSJV-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1	ZINC000826500927	607572744	/nfs/dbraw/zinc/57/27/44/607572744.db2.gz	RTZLRYCVYHKSJV-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
Cc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1C	ZINC000826292691	607573938	/nfs/dbraw/zinc/57/39/38/607573938.db2.gz	HROGQPUXSUYMIG-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
CCC(CC)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825107947	607592008	/nfs/dbraw/zinc/59/20/08/607592008.db2.gz	SNHLMSVPSMQZCX-UHFFFAOYSA-N	-1	1	380.430	2.117	20	5		GEBDMM
CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825266695	607606433	/nfs/dbraw/zinc/60/64/33/607606433.db2.gz	GMLLUVKRZXHXLH-VXGBXAGGSA-N	-1	1	394.457	2.412	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1-c1nn[n-]n1	ZINC000826500258	607650464	/nfs/dbraw/zinc/65/04/64/607650464.db2.gz	QIPLCNDRRHYVGJ-GRYCIOLGSA-N	-1	1	392.441	2.022	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1	ZINC000826498341	607660029	/nfs/dbraw/zinc/66/00/29/607660029.db2.gz	QKMNJLNVVUALKA-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1	ZINC000826498341	607660031	/nfs/dbraw/zinc/66/00/31/607660031.db2.gz	QKMNJLNVVUALKA-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000829217704	604302498	/nfs/dbraw/zinc/30/24/98/604302498.db2.gz	ZKQUIGILRHPPON-UHFFFAOYSA-N	-1	1	393.377	2.445	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417022	604857265	/nfs/dbraw/zinc/85/72/65/604857265.db2.gz	KFFMUKROBDJLPW-IUODEOHRSA-N	-1	1	389.408	2.050	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1	ZINC000833420881	604929266	/nfs/dbraw/zinc/92/92/66/604929266.db2.gz	BEDCXSJWGVQJEP-LLVKDONJSA-N	-1	1	393.396	2.085	20	5		GEBDMM
COc1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc(Br)c1[O-]	ZINC000445399044	649961425	/nfs/dbraw/zinc/96/14/25/649961425.db2.gz	ANCMRDWNXLXJLU-UHFFFAOYSA-N	-1	1	396.157	2.366	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000820513232	606138747	/nfs/dbraw/zinc/13/87/47/606138747.db2.gz	XYNUCWJYQBZMCR-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000820513232	606138749	/nfs/dbraw/zinc/13/87/49/606138749.db2.gz	XYNUCWJYQBZMCR-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(COc2ccccc2)CC1	ZINC000823620309	606702084	/nfs/dbraw/zinc/70/20/84/606702084.db2.gz	JVZLMBYCLPLEMU-UHFFFAOYSA-N	-1	1	381.396	2.465	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(COc2ccccc2)CC1	ZINC000823620309	606702085	/nfs/dbraw/zinc/70/20/85/606702085.db2.gz	JVZLMBYCLPLEMU-UHFFFAOYSA-N	-1	1	381.396	2.465	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000823615058	606711287	/nfs/dbraw/zinc/71/12/87/606711287.db2.gz	ZGSQXOSGWQQTTR-UHFFFAOYSA-N	-1	1	397.239	2.491	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000823615058	606711289	/nfs/dbraw/zinc/71/12/89/606711289.db2.gz	ZGSQXOSGWQQTTR-UHFFFAOYSA-N	-1	1	397.239	2.491	20	5		GEBDMM
CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820860252	606734347	/nfs/dbraw/zinc/73/43/47/606734347.db2.gz	IOHLACPZSBWPEE-NWDGAFQWSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CCN(c1ccc(C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821230381	607154752	/nfs/dbraw/zinc/15/47/52/607154752.db2.gz	JFPBPGHHNDUKNR-UHFFFAOYSA-N	-1	1	388.409	2.299	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000823620187	607166474	/nfs/dbraw/zinc/16/64/74/607166474.db2.gz	HXCCIYTYVQQBSV-INIZCTEOSA-N	-1	1	381.396	2.120	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([C@@H](O)c2ccccc2)CC1	ZINC000823620187	607166475	/nfs/dbraw/zinc/16/64/75/607166475.db2.gz	HXCCIYTYVQQBSV-INIZCTEOSA-N	-1	1	381.396	2.120	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OC[C@H]2CCCO2)c1	ZINC000823625011	607168663	/nfs/dbraw/zinc/16/86/63/607168663.db2.gz	NXPWISIGQGDIBN-CYBMUJFWSA-N	-1	1	383.368	2.471	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OC[C@H]2CCCO2)c1	ZINC000823625011	607168664	/nfs/dbraw/zinc/16/86/64/607168664.db2.gz	NXPWISIGQGDIBN-CYBMUJFWSA-N	-1	1	383.368	2.471	20	5		GEBDMM
Cc1cccc(S(=O)(=O)Oc2cccc(C)c2[N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826304758	607867061	/nfs/dbraw/zinc/86/70/61/607867061.db2.gz	WZYOUUBZWFTKJB-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
COc1ccc(C[C@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000826191267	608099481	/nfs/dbraw/zinc/09/94/81/608099481.db2.gz	BCWZQFAZYSDKDU-NSHDSACASA-N	-1	1	399.411	2.478	20	5		GEBDMM
COc1ccc(C[C@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000826191267	608099482	/nfs/dbraw/zinc/09/94/82/608099482.db2.gz	BCWZQFAZYSDKDU-NSHDSACASA-N	-1	1	399.411	2.478	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1C	ZINC000826268475	609313266	/nfs/dbraw/zinc/31/32/66/609313266.db2.gz	YTLZQJLEMRTSAV-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1	ZINC000826439425	609329918	/nfs/dbraw/zinc/32/99/18/609329918.db2.gz	UONLLBNWKQQYKZ-UHFFFAOYSA-N	-1	1	378.801	2.462	20	5		GEBDMM
O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)s1	ZINC000826439425	609329919	/nfs/dbraw/zinc/32/99/19/609329919.db2.gz	UONLLBNWKQQYKZ-UHFFFAOYSA-N	-1	1	378.801	2.462	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)s1	ZINC000508135481	650475546	/nfs/dbraw/zinc/47/55/46/650475546.db2.gz	XMBIUVHAANREOC-UHFFFAOYSA-N	-1	1	383.386	2.305	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])n1	ZINC000485934002	650703000	/nfs/dbraw/zinc/70/30/00/650703000.db2.gz	OOQFLIUDNWEOIW-SECBINFHSA-N	-1	1	381.439	2.460	20	5		GEBDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C	ZINC000534906730	650782203	/nfs/dbraw/zinc/78/22/03/650782203.db2.gz	GBPNDYLOWYPRFR-UHFFFAOYSA-N	-1	1	375.204	2.498	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)s1	ZINC000063187534	642854514	/nfs/dbraw/zinc/85/45/14/642854514.db2.gz	OXSHRSJEGSJCOC-UHFFFAOYSA-N	-1	1	382.398	2.460	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1	ZINC000064245325	642871466	/nfs/dbraw/zinc/87/14/66/642871466.db2.gz	BOKYGUXACILANV-LBPRGKRZSA-N	-1	1	381.479	2.381	20	5		GEBDMM
Cc1c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cccc1[N+](=O)[O-]	ZINC000536460969	650802864	/nfs/dbraw/zinc/80/28/64/650802864.db2.gz	YWXBOYUKKVDXTM-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
Cc1nc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)n[nH]1	ZINC000104741457	643190259	/nfs/dbraw/zinc/19/02/59/643190259.db2.gz	PWLOZFWJYDDMMO-ZDUSSCGKSA-N	-1	1	379.423	2.151	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)C(F)(F)F	ZINC000497932981	650842058	/nfs/dbraw/zinc/84/20/58/650842058.db2.gz	AUHDDAUAMOUJMC-WCBMZHEXSA-N	-1	1	376.740	2.228	20	5		GEBDMM
CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000119385550	643550316	/nfs/dbraw/zinc/55/03/16/643550316.db2.gz	FHLJWSVLOWOIAJ-LDYMZIIASA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1	ZINC000121131373	643628988	/nfs/dbraw/zinc/62/89/88/643628988.db2.gz	KSNABRIKGWBCAV-ZDUSSCGKSA-N	-1	1	376.843	2.496	20	5		GEBDMM
CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000122480150	643656209	/nfs/dbraw/zinc/65/62/09/643656209.db2.gz	BTMGIVRLSUQUAQ-JTQLQIEISA-N	-1	1	381.248	2.043	20	5		GEBDMM
CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000128720736	643810004	/nfs/dbraw/zinc/81/00/04/643810004.db2.gz	KGXRCSMDPFHVAG-JTQLQIEISA-N	-1	1	395.275	2.433	20	5		GEBDMM
Cc1nn(CCC(=O)Nc2nc(Br)ccc2[O-])c(C)c1[N+](=O)[O-]	ZINC000156327239	644088727	/nfs/dbraw/zinc/08/87/27/644088727.db2.gz	GZPAUJBRSPAGTN-UHFFFAOYSA-N	-1	1	384.190	2.300	20	5		GEBDMM
CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000159228767	644181787	/nfs/dbraw/zinc/18/17/87/644181787.db2.gz	WVRUAYOOABHFDH-UHFFFAOYSA-N	-1	1	395.275	2.434	20	5		GEBDMM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000178740926	644438137	/nfs/dbraw/zinc/43/81/37/644438137.db2.gz	VSRAPUNOLUBMKC-GFCCVEGCSA-N	-1	1	381.248	2.043	20	5		GEBDMM
COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br	ZINC000193510362	645280239	/nfs/dbraw/zinc/28/02/39/645280239.db2.gz	OPCPRLGMXBOZDK-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-][C@H](c2cnn(C)c2)C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000278938363	646564404	/nfs/dbraw/zinc/56/44/04/646564404.db2.gz	XIEWTOXVFPOBBM-GFCCVEGCSA-N	-1	1	378.332	2.219	20	5		GEBDMM
Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cnn1C	ZINC000281116045	646746949	/nfs/dbraw/zinc/74/69/49/646746949.db2.gz	GXKBJZVJVLSKSV-SSDOTTSWSA-N	-1	1	376.797	2.469	20	5		GEBDMM
C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000285632642	646859605	/nfs/dbraw/zinc/85/96/05/646859605.db2.gz	NYPLEQDNQIROMH-ZJUUUORDSA-N	-1	1	393.259	2.308	20	5		GEBDMM
CC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)OCCCO1	ZINC000296170078	647246759	/nfs/dbraw/zinc/24/67/59/647246759.db2.gz	KYIOALVFDBEUEY-UHFFFAOYSA-N	-1	1	385.225	2.333	20	5		GEBDMM
O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1	ZINC000332292471	647429886	/nfs/dbraw/zinc/42/98/86/647429886.db2.gz	JMXYFUPPBWMCEY-QMMMGPOBSA-N	-1	1	397.185	2.466	20	5		GEBDMM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C	ZINC000332474460	647440195	/nfs/dbraw/zinc/44/01/95/647440195.db2.gz	NIKVNMSADALLOS-SWLSCSKDSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2	ZINC000363382476	647593944	/nfs/dbraw/zinc/59/39/44/647593944.db2.gz	VZJAQJCLUSMZEJ-UHFFFAOYSA-N	-1	1	384.845	2.302	20	5		GEBDMM
Cc1nn(C)cc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000416460846	648131906	/nfs/dbraw/zinc/13/19/06/648131906.db2.gz	WIZOAEWUGAWDFK-UHFFFAOYSA-N	-1	1	378.332	2.134	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1	ZINC000561561222	651480308	/nfs/dbraw/zinc/48/03/08/651480308.db2.gz	XGIIUMWRENXOQG-UHFFFAOYSA-N	-1	1	378.744	2.454	20	5		GEBDMM
COc1cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1O	ZINC000611019022	651700633	/nfs/dbraw/zinc/70/06/33/651700633.db2.gz	PSQHSJBDZSTJNY-UHFFFAOYSA-N	-1	1	386.813	2.483	20	5		GEBDMM
CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC(C)C	ZINC000734003872	651733370	/nfs/dbraw/zinc/73/33/70/651733370.db2.gz	YFRUHXBBKBANOZ-LBPRGKRZSA-N	-1	1	376.406	2.379	20	5		GEBDMM
CC[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000616460660	651901241	/nfs/dbraw/zinc/90/12/41/651901241.db2.gz	CEERXOKYRAYUKI-GFCCVEGCSA-N	-1	1	379.232	2.205	20	5		GEBDMM
CC(C)Oc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000743817944	652028316	/nfs/dbraw/zinc/02/83/16/652028316.db2.gz	VOLPXRCEWVBFLM-UHFFFAOYSA-N	-1	1	382.423	2.282	20	5		GEBDMM
CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000751467353	652353951	/nfs/dbraw/zinc/35/39/51/652353951.db2.gz	MSGHWQVIHVLASG-GXSJLCMTSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]Cc1nccs1	ZINC000757743520	652521621	/nfs/dbraw/zinc/52/16/21/652521621.db2.gz	BOWPOJLSWYNMFN-UHFFFAOYSA-N	-1	1	396.219	2.431	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccc(Cl)cc2)s1	ZINC000588144817	652549326	/nfs/dbraw/zinc/54/93/26/652549326.db2.gz	VURJFHKXJXMODN-JTQLQIEISA-N	-1	1	376.843	2.364	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(F)cn1	ZINC000763377984	652754146	/nfs/dbraw/zinc/75/41/46/652754146.db2.gz	MLPQXMBDVUYMLI-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
COC(=O)c1cc(C(=O)Nc2nc(Br)ccc2[O-])cc([N+](=O)[O-])c1	ZINC000771575579	653116591	/nfs/dbraw/zinc/11/65/91/653116591.db2.gz	XHJMLNMONANHCH-UHFFFAOYSA-N	-1	1	396.153	2.497	20	5		GEBDMM
CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000774927621	653270256	/nfs/dbraw/zinc/27/02/56/653270256.db2.gz	FUTKWRQYQOHGPE-OAHLLOKOSA-N	-1	1	376.406	2.380	20	5		GEBDMM
Cc1nccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1	ZINC000809808881	653297343	/nfs/dbraw/zinc/29/73/43/653297343.db2.gz	AFRSVDHKHHYQTN-UHFFFAOYSA-N	-1	1	377.209	2.479	20	5		GEBDMM
CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827507	653304150	/nfs/dbraw/zinc/30/41/50/653304150.db2.gz	BZLNAJNPQXWNHQ-LDWIPMOCSA-N	-1	1	389.282	2.292	20	5		GEBDMM
CC1=CCN(CC[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1	ZINC000809830855	653305428	/nfs/dbraw/zinc/30/54/28/653305428.db2.gz	GPULATJATCMNSV-UHFFFAOYSA-N	-1	1	377.825	2.318	20	5		GEBDMM
COCC[C@H](COC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000810092929	653324433	/nfs/dbraw/zinc/32/44/33/653324433.db2.gz	APLNXRSPYQNUNA-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
Cn1ncc(C(F)(F)F)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000859256847	653430070	/nfs/dbraw/zinc/43/00/70/653430070.db2.gz	OBSBSWLSHHNTEB-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCN1CC(F)F	ZINC000859293633	653436177	/nfs/dbraw/zinc/43/61/77/653436177.db2.gz	JPUOUXDAHXFRAJ-JTQLQIEISA-N	-1	1	383.804	2.256	20	5		GEBDMM
CCCCCCN(C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000778685126	653453739	/nfs/dbraw/zinc/45/37/39/653453739.db2.gz	DPPVOBVZQOGWLZ-UHFFFAOYSA-N	-1	1	375.422	2.051	20	5		GEBDMM
C[C@@H]1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1C(=O)OC(C)(C)C	ZINC000859415570	653460817	/nfs/dbraw/zinc/46/08/17/653460817.db2.gz	RATOHKOVDVMORX-ZJUUUORDSA-N	-1	1	391.471	2.333	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1O	ZINC000815015929	653643641	/nfs/dbraw/zinc/64/36/41/653643641.db2.gz	SZVXBTPIKGNAMI-HIFRSBDPSA-N	-1	1	386.788	2.324	20	5		GEBDMM
CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815030254	653646119	/nfs/dbraw/zinc/64/61/19/653646119.db2.gz	YVKMYVWLRCAOKF-QMMMGPOBSA-N	-1	1	382.797	2.255	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000815029741	653646150	/nfs/dbraw/zinc/64/61/50/653646150.db2.gz	XDEZYMPQDPJWTK-OTYXRUKQSA-N	-1	1	394.808	2.004	20	5		GEBDMM
C[N-]S(=O)(=O)c1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)co1	ZINC000784935977	653701763	/nfs/dbraw/zinc/70/17/63/653701763.db2.gz	ZCTBOXMIEYOECQ-UHFFFAOYSA-N	-1	1	386.407	2.045	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(CC(F)F)C1	ZINC000841572554	653736718	/nfs/dbraw/zinc/73/67/18/653736718.db2.gz	PPBYWXMQCGJHEA-SSDOTTSWSA-N	-1	1	387.767	2.005	20	5		GEBDMM
O=C([O-])C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1	ZINC000841780049	653740958	/nfs/dbraw/zinc/74/09/58/653740958.db2.gz	DELKAALZXGQYJU-UHFFFAOYSA-N	-1	1	380.781	2.309	20	5		GEBDMM
COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000882699031	653798415	/nfs/dbraw/zinc/79/84/15/653798415.db2.gz	OYSQYYCKIWXJLX-WAAGHKOSSA-N	-1	1	379.232	2.061	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000845972352	653874591	/nfs/dbraw/zinc/87/45/91/653874591.db2.gz	NKIGEAWARJZTDD-UHFFFAOYSA-N	-1	1	383.209	2.276	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCCO1	ZINC000795805564	653967613	/nfs/dbraw/zinc/96/76/13/653967613.db2.gz	PALSPOKKEBRETL-QMMMGPOBSA-N	-1	1	397.222	2.344	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795861407	653972414	/nfs/dbraw/zinc/97/24/14/653972414.db2.gz	LINSZUIJUQIXHD-JTQLQIEISA-N	-1	1	399.238	2.446	20	5		GEBDMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000849436476	654034425	/nfs/dbraw/zinc/03/44/25/654034425.db2.gz	FYTYHAZYMSLOLG-MGCOHNPYSA-N	-1	1	379.232	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1COC2(CCC2)C1	ZINC000849449664	654038321	/nfs/dbraw/zinc/03/83/21/654038321.db2.gz	LIAXQCSCZUHSCM-JTQLQIEISA-N	-1	1	391.243	2.347	20	5		GEBDMM
CN1CCN(c2ccc([N+](=O)[O-])c([N-]S(=O)(=O)c3cccs3)c2)CC1	ZINC000901975234	654159229	/nfs/dbraw/zinc/15/92/29/654159229.db2.gz	UHTIBRBGFFAZBG-UHFFFAOYSA-N	-1	1	382.467	2.209	20	5		GEBDMM
C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000831902669	654217152	/nfs/dbraw/zinc/21/71/52/654217152.db2.gz	LWJLLMGPRAFLNA-BDAKNGLRSA-N	-1	1	379.460	2.236	20	5		GEBDMM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000832456092	654267644	/nfs/dbraw/zinc/26/76/44/654267644.db2.gz	UEXBHKPSCVEOJA-KCJUWKMLSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(c2ccccn2)C1	ZINC000159382054	531780310	/nfs/dbraw/zinc/78/03/10/531780310.db2.gz	MZZOXFPAGBWHNB-NSHDSACASA-N	-1	1	382.829	2.200	20	5		GEBDMM
C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1	ZINC000173682574	532026826	/nfs/dbraw/zinc/02/68/26/532026826.db2.gz	JHJYFNHBPKHJPJ-ZYHUDNBSSA-N	-1	1	381.435	2.129	20	5		GEBDMM
CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000122004518	532054730	/nfs/dbraw/zinc/05/47/30/532054730.db2.gz	OZGYTMZYZPNLER-NSHDSACASA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCC2(CC1)OCCO2	ZINC000146859056	532299189	/nfs/dbraw/zinc/29/91/89/532299189.db2.gz	OQNXKNGRCZTMNY-UHFFFAOYSA-N	-1	1	376.818	2.212	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12	ZINC000190640025	532357302	/nfs/dbraw/zinc/35/73/02/532357302.db2.gz	GUYPCADEFBYOJT-FOGDFJRCSA-N	-1	1	391.243	2.203	20	5		GEBDMM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1	ZINC000425201740	532373643	/nfs/dbraw/zinc/37/36/43/532373643.db2.gz	JRILXYTVEPEKNR-ZCFIWIBFSA-N	-1	1	391.452	2.247	20	5		GEBDMM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC	ZINC000463230668	532369722	/nfs/dbraw/zinc/36/97/22/532369722.db2.gz	QGSVIWRGUMRIFH-JOAKQRRISA-N	-1	1	376.818	2.424	20	5		GEBDMM
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)o2)CC1	ZINC000425318048	532383238	/nfs/dbraw/zinc/38/32/38/532383238.db2.gz	HDSZCEGRTVZYAH-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000425318048	532383242	/nfs/dbraw/zinc/38/32/42/532383242.db2.gz	HDSZCEGRTVZYAH-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1	ZINC000281464847	532423646	/nfs/dbraw/zinc/42/36/46/532423646.db2.gz	LXULUDNINIKBQL-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1ccsc1	ZINC000468870973	532478734	/nfs/dbraw/zinc/47/87/34/532478734.db2.gz	HVEBMXCPWCTAPU-CQSZACIVSA-N	-1	1	384.435	2.033	20	5		GEBDMM
C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000593653671	532493179	/nfs/dbraw/zinc/49/31/79/532493179.db2.gz	GGVNUCNAHLUFQY-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000431625583	532518956	/nfs/dbraw/zinc/51/89/56/532518956.db2.gz	OZWKZMHMTCRYAO-JTQLQIEISA-N	-1	1	377.850	2.079	20	5		GEBDMM
CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296081134	532499693	/nfs/dbraw/zinc/49/96/93/532499693.db2.gz	GYSDIHFQTNJJOL-SSDOTTSWSA-N	-1	1	384.241	2.047	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1noc(C(F)(F)F)n1	ZINC000470230697	532524164	/nfs/dbraw/zinc/52/41/64/532524164.db2.gz	COIIYUISXTZWAD-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CO1	ZINC000594795409	532529965	/nfs/dbraw/zinc/52/99/65/532529965.db2.gz	MACDZPJIIAMZSF-SECBINFHSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCc1nnc(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296919262	532553703	/nfs/dbraw/zinc/55/37/03/532553703.db2.gz	FRBXRZAQRKGBAO-UHFFFAOYSA-N	-1	1	380.213	2.061	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1cccs1)C1(CO)CCC1	ZINC000569195786	532690189	/nfs/dbraw/zinc/69/01/89/532690189.db2.gz	SDKSBIJAUTWQJO-ZDUSSCGKSA-N	-1	1	383.451	2.234	20	5		GEBDMM
CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000286272035	532737254	/nfs/dbraw/zinc/73/72/54/532737254.db2.gz	FAOLMKGLIFLXIC-LURJTMIESA-N	-1	1	377.785	2.107	20	5		GEBDMM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1[N+](=O)[O-]	ZINC000410395148	532738477	/nfs/dbraw/zinc/73/84/77/532738477.db2.gz	MEBZZZNFCBBLJQ-UHFFFAOYSA-N	-1	1	385.785	2.157	20	5		GEBDMM
CCOc1ccc(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cc1Cl	ZINC000551555897	532799913	/nfs/dbraw/zinc/79/99/13/532799913.db2.gz	JIAFDBHJXIBIHT-UHFFFAOYSA-N	-1	1	388.833	2.342	20	5		GEBDMM
Cn1cc2c(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000289709232	532863672	/nfs/dbraw/zinc/86/36/72/532863672.db2.gz	FCWXCZZYTWZZRM-GFCCVEGCSA-N	-1	1	388.808	2.477	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c(Cl)cc1Cl	ZINC000290647687	532885686	/nfs/dbraw/zinc/88/56/86/532885686.db2.gz	DUYAHXRVPANDIA-LLVKDONJSA-N	-1	1	387.266	2.048	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1	ZINC000361178580	532892502	/nfs/dbraw/zinc/89/25/02/532892502.db2.gz	FKNLTAIJCITIMV-GXFFZTMASA-N	-1	1	391.243	2.203	20	5		GEBDMM
Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2	ZINC000368787758	532934390	/nfs/dbraw/zinc/93/43/90/532934390.db2.gz	APBGEYPGDIDJFW-LLVKDONJSA-N	-1	1	382.829	2.182	20	5		GEBDMM
Cc1ccc(NC(=O)c2ccc(N3CCN(CC(=O)[O-])CC3)c([N+](=O)[O-])c2)cc1	ZINC000738628933	600125770	/nfs/dbraw/zinc/12/57/70/600125770.db2.gz	WIXGIJBPCBIRSY-UHFFFAOYSA-N	-1	1	398.419	2.362	20	5		GEBDMM
CC[C@@](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1	ZINC000736920402	600135572	/nfs/dbraw/zinc/13/55/72/600135572.db2.gz	NLAVGPFJJYOEGI-INIZCTEOSA-N	-1	1	382.369	2.402	20	5		GEBDMM
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1	ZINC000826220707	607448809	/nfs/dbraw/zinc/44/88/09/607448809.db2.gz	XEBSXMBZMONGEU-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1	ZINC000826220707	607448811	/nfs/dbraw/zinc/44/88/11/607448811.db2.gz	XEBSXMBZMONGEU-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
CC1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)CC1	ZINC000824947558	607452127	/nfs/dbraw/zinc/45/21/27/607452127.db2.gz	OVDPYPGARLDTGC-UHFFFAOYSA-N	-1	1	399.455	2.250	20	5		GEBDMM
CC1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)CC1	ZINC000824947558	607452129	/nfs/dbraw/zinc/45/21/29/607452129.db2.gz	OVDPYPGARLDTGC-UHFFFAOYSA-N	-1	1	399.455	2.250	20	5		GEBDMM
O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nnn[n-]1	ZINC000826499087	607453259	/nfs/dbraw/zinc/45/32/59/607453259.db2.gz	VEMYYWVMSCNDIH-ZDUSSCGKSA-N	-1	1	379.380	2.272	20	5		GEBDMM
O=[N+]([O-])c1ccc(N[C@H](CO)Cc2c[nH]c3ccccc23)cc1-c1nn[n-]n1	ZINC000826499087	607453261	/nfs/dbraw/zinc/45/32/61/607453261.db2.gz	VEMYYWVMSCNDIH-ZDUSSCGKSA-N	-1	1	379.380	2.272	20	5		GEBDMM
C[C@@](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)(C(=O)[O-])C1CC1	ZINC000827727660	601033900	/nfs/dbraw/zinc/03/39/00/601033900.db2.gz	KWNNNEMLHFYFPE-KRWDZBQOSA-N	-1	1	390.421	2.500	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)c1-c1nn[n-]n1	ZINC000826500387	607575830	/nfs/dbraw/zinc/57/58/30/607575830.db2.gz	WRQOZJZVXPYDFJ-UHFFFAOYSA-N	-1	1	387.377	2.031	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCC2CCCC2)c1-c1nn[n-]n1	ZINC000826500210	607584700	/nfs/dbraw/zinc/58/47/00/607584700.db2.gz	OMEALNIMSDMRMO-UHFFFAOYSA-N	-1	1	380.430	2.024	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc3ncccc3c2)c1-c1nn[n-]n1	ZINC000826500453	607601590	/nfs/dbraw/zinc/60/15/90/607601590.db2.gz	YWFSFOOPDXOIBF-UHFFFAOYSA-N	-1	1	398.360	2.091	20	5		GEBDMM
CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825060207	607607930	/nfs/dbraw/zinc/60/79/30/607607930.db2.gz	OQTNNTVNDXJSDT-GHMZBOCLSA-N	-1	1	394.457	2.363	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCC2CCCC2)c1-c1nn[n-]n1	ZINC000826500416	607655517	/nfs/dbraw/zinc/65/55/17/607655517.db2.gz	XTSRORIOIJMTKO-UHFFFAOYSA-N	-1	1	394.457	2.414	20	5		GEBDMM
Cc1nn(CN2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870906	603908622	/nfs/dbraw/zinc/90/86/22/603908622.db2.gz	OLCSGMQZAQNQQV-CJNGLKHVSA-N	-1	1	388.428	2.460	20	5		GEBDMM
Cc1nn(CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12	ZINC000830870901	603909090	/nfs/dbraw/zinc/90/90/90/603909090.db2.gz	OLCSGMQZAQNQQV-BBRMVZONSA-N	-1	1	388.428	2.460	20	5		GEBDMM
CCCC[C@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825258884	607662287	/nfs/dbraw/zinc/66/22/87/607662287.db2.gz	GOVUDBHIDNINAB-NSHDSACASA-N	-1	1	382.446	2.412	20	5		GEBDMM
COc1cc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000829217287	604300927	/nfs/dbraw/zinc/30/09/27/604300927.db2.gz	MRHJZOJLFCRVDW-UHFFFAOYSA-N	-1	1	381.366	2.172	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(OC)c1C(=O)[O-]	ZINC000833734582	604861925	/nfs/dbraw/zinc/86/19/25/604861925.db2.gz	OGZDHTWUNPQVHZ-UHFFFAOYSA-N	-1	1	396.377	2.419	20	5		GEBDMM
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833539976	605163121	/nfs/dbraw/zinc/16/31/21/605163121.db2.gz	QSOMOTLIRHVNKB-NWDGAFQWSA-N	-1	1	399.831	2.023	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000834031423	605520335	/nfs/dbraw/zinc/52/03/35/605520335.db2.gz	ZDSJRIOXELCLJR-DOTOQJQBSA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C([O-])N1CCC2(CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CC1	ZINC000834093747	605897625	/nfs/dbraw/zinc/89/76/25/605897625.db2.gz	NLGYTCBLVKJGAY-MRXNPFEDSA-N	-1	1	388.424	2.166	20	5		GEBDMM
CCOCCOCc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000821384066	606697811	/nfs/dbraw/zinc/69/78/11/606697811.db2.gz	OJGOYAYDBAOMNS-UHFFFAOYSA-N	-1	1	399.411	2.335	20	5		GEBDMM
CCOCCOCc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000821384066	606697812	/nfs/dbraw/zinc/69/78/12/606697812.db2.gz	OJGOYAYDBAOMNS-UHFFFAOYSA-N	-1	1	399.411	2.335	20	5		GEBDMM
Cc1ccc(N2CCCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1	ZINC000822242223	606702000	/nfs/dbraw/zinc/70/20/00/606702000.db2.gz	FEBYXBCCOMYGHZ-UHFFFAOYSA-N	-1	1	380.412	2.195	20	5		GEBDMM
Cc1ccc(N2CCCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1	ZINC000822242223	606702001	/nfs/dbraw/zinc/70/20/01/606702001.db2.gz	FEBYXBCCOMYGHZ-UHFFFAOYSA-N	-1	1	380.412	2.195	20	5		GEBDMM
COc1ccc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000821787415	606708153	/nfs/dbraw/zinc/70/81/53/606708153.db2.gz	SYIKMOZQWOBLEK-SNVBAGLBSA-N	-1	1	385.384	2.230	20	5		GEBDMM
COc1ccc(C[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000821787415	606708155	/nfs/dbraw/zinc/70/81/55/606708155.db2.gz	SYIKMOZQWOBLEK-SNVBAGLBSA-N	-1	1	385.384	2.230	20	5		GEBDMM
COC(=O)CCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821661818	606709781	/nfs/dbraw/zinc/70/97/81/606709781.db2.gz	ZXMRMZMQNFTDHS-UHFFFAOYSA-N	-1	1	399.367	2.246	20	5		GEBDMM
COC(=O)CCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821661818	606709783	/nfs/dbraw/zinc/70/97/83/606709783.db2.gz	ZXMRMZMQNFTDHS-UHFFFAOYSA-N	-1	1	399.367	2.246	20	5		GEBDMM
CC(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000820020647	606710556	/nfs/dbraw/zinc/71/05/56/606710556.db2.gz	JGRITCALKHTJEV-LLVKDONJSA-N	-1	1	392.420	2.131	20	5		GEBDMM
CC(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC(=O)OC(C)(C)C	ZINC000820020647	606710557	/nfs/dbraw/zinc/71/05/57/606710557.db2.gz	JGRITCALKHTJEV-LLVKDONJSA-N	-1	1	392.420	2.131	20	5		GEBDMM
C[C@H]1COCCN1c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820813260	606711602	/nfs/dbraw/zinc/71/16/02/606711602.db2.gz	CFZZTEREGGDPNN-NSHDSACASA-N	-1	1	382.384	2.139	20	5		GEBDMM
C[C@H]1COCCN1c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820813260	606711603	/nfs/dbraw/zinc/71/16/03/606711603.db2.gz	CFZZTEREGGDPNN-NSHDSACASA-N	-1	1	382.384	2.139	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](OCCCc2ccccc2)C1	ZINC000823621036	606717365	/nfs/dbraw/zinc/71/73/65/606717365.db2.gz	VSEWRPNYYKULHZ-OAHLLOKOSA-N	-1	1	395.423	2.398	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](OCCCc2ccccc2)C1	ZINC000823621036	606717368	/nfs/dbraw/zinc/71/73/68/606717368.db2.gz	VSEWRPNYYKULHZ-OAHLLOKOSA-N	-1	1	395.423	2.398	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC2(CC1)OCc1ccccc12	ZINC000823620926	606721621	/nfs/dbraw/zinc/72/16/21/606721621.db2.gz	STXVCPRIGTWBNR-UHFFFAOYSA-N	-1	1	379.380	2.196	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC2(CC1)OCc1ccccc12	ZINC000823620926	606721623	/nfs/dbraw/zinc/72/16/23/606721623.db2.gz	STXVCPRIGTWBNR-UHFFFAOYSA-N	-1	1	379.380	2.196	20	5		GEBDMM
CCC(CC)CN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820893583	606732448	/nfs/dbraw/zinc/73/24/48/606732448.db2.gz	RVRLXYAXAYACTN-UHFFFAOYSA-N	-1	1	382.446	2.222	20	5		GEBDMM
CCC[C@]1(C)CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000821028032	606735997	/nfs/dbraw/zinc/73/59/97/606735997.db2.gz	RWSFBWWEPXASEI-MRXNPFEDSA-N	-1	1	394.457	2.366	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)c(F)c1	ZINC000823645609	607123305	/nfs/dbraw/zinc/12/33/05/607123305.db2.gz	UZWGBWJWQHHZAM-UHFFFAOYSA-N	-1	1	398.763	2.368	20	5		GEBDMM
O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nnn[n-]2)s1	ZINC000823391692	607133929	/nfs/dbraw/zinc/13/39/29/607133929.db2.gz	BUSRUALKVBAAOF-VHSXEESVSA-N	-1	1	389.397	2.374	20	5		GEBDMM
O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)s1	ZINC000823391692	607133931	/nfs/dbraw/zinc/13/39/31/607133931.db2.gz	BUSRUALKVBAAOF-VHSXEESVSA-N	-1	1	389.397	2.374	20	5		GEBDMM
CCN(c1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821240757	607155020	/nfs/dbraw/zinc/15/50/20/607155020.db2.gz	IGKYEABRXZRFJN-UHFFFAOYSA-N	-1	1	388.409	2.299	20	5		GEBDMM
CN(CCOc1ccccc1Cl)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821605189	607164120	/nfs/dbraw/zinc/16/41/20/607164120.db2.gz	YWDWHVNRUXASJD-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
CN(CCOc1ccccc1Cl)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821605189	607164121	/nfs/dbraw/zinc/16/41/21/607164121.db2.gz	YWDWHVNRUXASJD-UHFFFAOYSA-N	-1	1	375.776	2.339	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1C	ZINC000826293633	607867610	/nfs/dbraw/zinc/86/76/10/607867610.db2.gz	WPFOLGSPENPRDC-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1C	ZINC000826293633	607867611	/nfs/dbraw/zinc/86/76/11/607867611.db2.gz	WPFOLGSPENPRDC-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000451835004	650146411	/nfs/dbraw/zinc/14/64/11/650146411.db2.gz	DPAQLKFGMPOWKD-KOLCDFICSA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CC12CCOCC2	ZINC000451893901	650150729	/nfs/dbraw/zinc/15/07/29/650150729.db2.gz	UHRRLZZGBPBFPV-GFCCVEGCSA-N	-1	1	391.243	2.205	20	5		GEBDMM
CCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])COC1	ZINC000451952971	650157287	/nfs/dbraw/zinc/15/72/87/650157287.db2.gz	QWWZLSPIEWQOHP-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000451981987	650161179	/nfs/dbraw/zinc/16/11/79/650161179.db2.gz	FMXHTPDIISZQOL-OQPBUACISA-N	-1	1	393.259	2.449	20	5		GEBDMM
CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000451981984	650161199	/nfs/dbraw/zinc/16/11/99/650161199.db2.gz	FMXHTPDIISZQOL-ISVAXAHUSA-N	-1	1	393.259	2.449	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1	ZINC000509666799	650498668	/nfs/dbraw/zinc/49/86/68/650498668.db2.gz	XOTVJVTXNSJNQW-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(c2nnc[nH]2)CCC1	ZINC000509780922	650500646	/nfs/dbraw/zinc/50/06/46/650500646.db2.gz	FLWFSJXUTADUMC-UHFFFAOYSA-N	-1	1	392.224	2.377	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)O	ZINC000480897432	650637070	/nfs/dbraw/zinc/63/70/70/650637070.db2.gz	KSRPGJMGYFONSM-LBPRGKRZSA-N	-1	1	395.275	2.431	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CC1CCOCC1	ZINC000070160948	643049166	/nfs/dbraw/zinc/04/91/66/643049166.db2.gz	HLPMJCGRQBKQJD-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1	ZINC000538119254	650830479	/nfs/dbraw/zinc/83/04/79/650830479.db2.gz	BYNLIEIPKGONGD-GXTWGEPZSA-N	-1	1	383.813	2.452	20	5		GEBDMM
Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1	ZINC000119786144	643571890	/nfs/dbraw/zinc/57/18/90/643571890.db2.gz	UQCODMWSSSJOGB-UHFFFAOYSA-N	-1	1	379.423	2.024	20	5		GEBDMM
O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F	ZINC000125505481	643708435	/nfs/dbraw/zinc/70/84/35/643708435.db2.gz	OPGAQWGKBPYVCO-UHFFFAOYSA-N	-1	1	380.279	2.453	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ncccc1Cl	ZINC000125549422	643708875	/nfs/dbraw/zinc/70/88/75/643708875.db2.gz	AORSOCDBFAMDCJ-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)s1	ZINC000543619741	650915787	/nfs/dbraw/zinc/91/57/87/650915787.db2.gz	YAUDJXONLGUGJA-SECBINFHSA-N	-1	1	380.806	2.461	20	5		GEBDMM
Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C	ZINC000178570427	644434529	/nfs/dbraw/zinc/43/45/29/644434529.db2.gz	SSMZMPYYQQHZOM-UHFFFAOYSA-N	-1	1	375.204	2.498	20	5		GEBDMM
Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000281090690	646745288	/nfs/dbraw/zinc/74/52/88/646745288.db2.gz	DBFHOCQXPGXVQH-MRVPVSSYSA-N	-1	1	376.797	2.469	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCC3(CC2)OCCO3)cc1Cl	ZINC000281310006	646760696	/nfs/dbraw/zinc/76/06/96/646760696.db2.gz	ZYESYFLJEFQCBC-UHFFFAOYSA-N	-1	1	394.808	2.351	20	5		GEBDMM
Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C2	ZINC000377853241	647869199	/nfs/dbraw/zinc/86/91/99/647869199.db2.gz	YGPAEAIZPGJCKR-VIFPVBQESA-N	-1	1	388.808	2.186	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)O1	ZINC000416606425	648185217	/nfs/dbraw/zinc/18/52/17/648185217.db2.gz	NUBFHFXSNMHUFN-OPRDCNLKSA-N	-1	1	393.259	2.449	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1	ZINC000610263409	651652429	/nfs/dbraw/zinc/65/24/29/651652429.db2.gz	ZYFBNBGQXWKIIU-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]Cc1cccc(F)n1	ZINC000747911190	652185261	/nfs/dbraw/zinc/18/52/61/652185261.db2.gz	NEQVJIYWXRKXLC-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
Cc1c([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cccc1[N+](=O)[O-]	ZINC000762594235	652705194	/nfs/dbraw/zinc/70/51/94/652705194.db2.gz	KJEZMZCVGMCRGC-UHFFFAOYSA-N	-1	1	388.398	2.247	20	5		GEBDMM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1	ZINC000763374414	652753899	/nfs/dbraw/zinc/75/38/99/652753899.db2.gz	QGPICNKQXATRLI-UHFFFAOYSA-N	-1	1	388.789	2.257	20	5		GEBDMM
CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000763437114	652758553	/nfs/dbraw/zinc/75/85/53/652758553.db2.gz	ZKSIDNGNXRTAAX-JTQLQIEISA-N	-1	1	391.471	2.238	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1	ZINC000599481681	652875465	/nfs/dbraw/zinc/87/54/65/652875465.db2.gz	HKQKYDCWKUDWCI-JQWIXIFHSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CO)c1ccc(Cl)cc1	ZINC000805141251	653101309	/nfs/dbraw/zinc/10/13/09/653101309.db2.gz	ICUJXCJFZNLJLR-NSHDSACASA-N	-1	1	388.804	2.442	20	5		GEBDMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000768809220	653127478	/nfs/dbraw/zinc/12/74/78/653127478.db2.gz	HGDIQCASKDRTHJ-GFCCVEGCSA-N	-1	1	388.398	2.378	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccn1CC(F)(F)F	ZINC000774173727	653227616	/nfs/dbraw/zinc/22/76/16/653227616.db2.gz	YFCMIXVKYXEVFD-UHFFFAOYSA-N	-1	1	398.750	2.486	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOCC(F)(F)F)cc1Cl	ZINC000809807992	653296607	/nfs/dbraw/zinc/29/66/07/653296607.db2.gz	WJGODFBSNQKPOM-UHFFFAOYSA-N	-1	1	380.703	2.245	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H]2CCO[C@H]21	ZINC000809821891	653301661	/nfs/dbraw/zinc/30/16/61/653301661.db2.gz	VBJZQSUAZZLICS-KEMBBXRSSA-N	-1	1	378.809	2.479	20	5		GEBDMM
Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1	ZINC000809822210	653301971	/nfs/dbraw/zinc/30/19/71/653301971.db2.gz	YUPOUJPZEPVOML-UHFFFAOYSA-N	-1	1	376.797	2.334	20	5		GEBDMM
CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809827509	653304022	/nfs/dbraw/zinc/30/40/22/653304022.db2.gz	BZLNAJNPQXWNHQ-QUBYGPBYSA-N	-1	1	389.282	2.292	20	5		GEBDMM
C[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[S@@](C)=O	ZINC000809827257	653304103	/nfs/dbraw/zinc/30/41/03/653304103.db2.gz	IBDHXNCZNGWNAH-WODJRTHDSA-N	-1	1	389.282	2.337	20	5		GEBDMM
Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000779806843	653611204	/nfs/dbraw/zinc/61/12/04/653611204.db2.gz	ILUBOXPEYKTYIY-UHFFFAOYSA-N	-1	1	377.285	2.273	20	5		GEBDMM
CC(C)(C)N1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1=O	ZINC000815022311	653644669	/nfs/dbraw/zinc/64/46/69/653644669.db2.gz	OAJRPUUZOJIJLY-QMMMGPOBSA-N	-1	1	393.824	2.065	20	5		GEBDMM
CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815028590	653645805	/nfs/dbraw/zinc/64/58/05/653645805.db2.gz	CJXNBUPVMZPMTL-MRVPVSSYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]1	ZINC000815029576	653646065	/nfs/dbraw/zinc/64/60/65/653646065.db2.gz	PHGGMNOYYXQMKM-LURJTMIESA-N	-1	1	377.785	2.107	20	5		GEBDMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1Br	ZINC000783601839	653681084	/nfs/dbraw/zinc/68/10/84/653681084.db2.gz	UFWORFGQKDYJKO-UHFFFAOYSA-N	-1	1	387.215	2.301	20	5		GEBDMM
COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000841564420	653734912	/nfs/dbraw/zinc/73/49/12/653734912.db2.gz	RTSGXGBPEHFYMA-KNVOCYPGSA-N	-1	1	383.209	2.132	20	5		GEBDMM
Cc1ncsc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000787318414	653737087	/nfs/dbraw/zinc/73/70/87/653737087.db2.gz	DOLQGAWXIMJFDS-JTQLQIEISA-N	-1	1	391.814	2.117	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC(F)(F)CC1	ZINC000819890922	653760143	/nfs/dbraw/zinc/76/01/43/653760143.db2.gz	VRBIULNDLRYIMY-UHFFFAOYSA-N	-1	1	380.344	2.407	20	5		GEBDMM
O=c1cnc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2[nH]1	ZINC000821123780	653791176	/nfs/dbraw/zinc/79/11/76/653791176.db2.gz	GZBFCXATFJUGMX-UHFFFAOYSA-N	-1	1	380.769	2.286	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)NC(C)(C)C	ZINC000791423483	653813396	/nfs/dbraw/zinc/81/33/96/653813396.db2.gz	PZTDWPDMNFEBOG-SSDOTTSWSA-N	-1	1	398.268	2.483	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1-c1nnn[n-]1	ZINC000822530657	653830832	/nfs/dbraw/zinc/83/08/32/653830832.db2.gz	LDTUQQNRITTZLO-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[n-]n1	ZINC000822530657	653830834	/nfs/dbraw/zinc/83/08/34/653830834.db2.gz	LDTUQQNRITTZLO-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN(CC(F)(F)F)C1	ZINC000867344123	653918842	/nfs/dbraw/zinc/91/88/42/653918842.db2.gz	RUKXDUOHWUOMKZ-SECBINFHSA-N	-1	1	385.339	2.039	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCOCC1CC1	ZINC000795830037	653969240	/nfs/dbraw/zinc/96/92/40/653969240.db2.gz	WMKIJOJVBSTULX-UHFFFAOYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)OC	ZINC000828048647	654019769	/nfs/dbraw/zinc/01/97/69/654019769.db2.gz	DRRSSBMBQXTPGG-ZETCQYMHSA-N	-1	1	385.225	2.379	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H](O)C23CCC3)c1Cl	ZINC000849471982	654044614	/nfs/dbraw/zinc/04/46/14/654044614.db2.gz	YNYNHDMRSUWHMV-NXEZZACHSA-N	-1	1	381.237	2.483	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)cc1Cl	ZINC000798227133	654055634	/nfs/dbraw/zinc/05/56/34/654055634.db2.gz	KBSNFAMSHGJROM-ZFWWWQNUSA-N	-1	1	386.788	2.324	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)NC1CCCC1	ZINC000830298238	654109369	/nfs/dbraw/zinc/10/93/69/654109369.db2.gz	ZGHKKZFGXWDVBZ-UHFFFAOYSA-N	-1	1	396.252	2.239	20	5		GEBDMM
CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831101926	654164469	/nfs/dbraw/zinc/16/44/69/654164469.db2.gz	QLJRDQAJARCCND-ONGXEEELSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831101925	654164516	/nfs/dbraw/zinc/16/45/16/654164516.db2.gz	QLJRDQAJARCCND-MWLCHTKSSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC23OCCO3)c(Cl)cc1Cl	ZINC000851814871	654180660	/nfs/dbraw/zinc/18/06/60/654180660.db2.gz	FKXVFLXMZOZPLC-LBPRGKRZSA-N	-1	1	397.236	2.476	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)c1Cl	ZINC000851816333	654182108	/nfs/dbraw/zinc/18/21/08/654182108.db2.gz	ZSFVLZWWUWHYSR-SNVBAGLBSA-N	-1	1	397.236	2.476	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1ccccc1	ZINC000920314372	654210307	/nfs/dbraw/zinc/21/03/07/654210307.db2.gz	WVWIZBRDXCAXBC-UHFFFAOYSA-N	-1	1	384.797	2.270	20	5		GEBDMM
C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000832462959	654268112	/nfs/dbraw/zinc/26/81/12/654268112.db2.gz	NFCNGBTWDXRAEC-QMMMGPOBSA-N	-1	1	376.797	2.030	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H]1CCCOC1	ZINC000171421358	531905874	/nfs/dbraw/zinc/90/58/74/531905874.db2.gz	QNRDPFQWPZLCNG-VIFPVBQESA-N	-1	1	379.232	2.062	20	5		GEBDMM
CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000178742785	532211723	/nfs/dbraw/zinc/21/17/23/532211723.db2.gz	ZIOVYKBRILZEKC-GFCCVEGCSA-N	-1	1	381.248	2.043	20	5		GEBDMM
Cc1ccccc1C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000188273377	532347659	/nfs/dbraw/zinc/34/76/59/532347659.db2.gz	NFTBHFZDLRGTDS-ZDUSSCGKSA-N	-1	1	384.841	2.439	20	5		GEBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccc(Cl)s2)CC1	ZINC000193356691	532422765	/nfs/dbraw/zinc/42/27/65/532422765.db2.gz	VENZAWSVMQHNFR-UHFFFAOYSA-N	-1	1	382.829	2.368	20	5		GEBDMM
COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc(S(C)(=O)=O)c1	ZINC000468213792	532460537	/nfs/dbraw/zinc/46/05/37/532460537.db2.gz	BIOOHQPEEJVWGQ-UHFFFAOYSA-N	-1	1	384.391	2.099	20	5		GEBDMM
C[C@H](CCCCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295766938	532473538	/nfs/dbraw/zinc/47/35/38/532473538.db2.gz	POZKSMOUAFBXJG-SECBINFHSA-N	-1	1	381.248	2.187	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[C@H](O)C(F)F	ZINC000295817944	532479381	/nfs/dbraw/zinc/47/93/81/532479381.db2.gz	UOBQEDGQMSOTPT-WPRPVWTQSA-N	-1	1	392.302	2.297	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@H]1CCCO1	ZINC000296193434	532504187	/nfs/dbraw/zinc/50/41/87/532504187.db2.gz	LTFCJFOJXZPESD-MWLCHTKSSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CC1CCC(O)CC1	ZINC000595354342	532559713	/nfs/dbraw/zinc/55/97/13/532559713.db2.gz	SNLBVYMUIHHIMF-UHFFFAOYSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1sc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000599373253	532659143	/nfs/dbraw/zinc/65/91/43/532659143.db2.gz	TZEFPQHOWXOPLM-SECBINFHSA-N	-1	1	384.361	2.243	20	5		GEBDMM
Cc1sc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000599373254	532659311	/nfs/dbraw/zinc/65/93/11/532659311.db2.gz	TZEFPQHOWXOPLM-VIFPVBQESA-N	-1	1	384.361	2.243	20	5		GEBDMM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000285564818	532692513	/nfs/dbraw/zinc/69/25/13/532692513.db2.gz	JIBRXTJLEMEFRG-XCBNKYQSSA-N	-1	1	397.222	2.200	20	5		GEBDMM
CN(C)C(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1	ZINC000265226082	532689286	/nfs/dbraw/zinc/68/92/86/532689286.db2.gz	ULZIQAOGNYFMKL-WDEREUQCSA-N	-1	1	389.861	2.174	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Br)ccc1F	ZINC000576125667	532723612	/nfs/dbraw/zinc/72/36/12/532723612.db2.gz	SVQSAXZBDDWGDX-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1OCCO	ZINC000443232587	532743505	/nfs/dbraw/zinc/74/35/05/532743505.db2.gz	DKVHXCUKMLQSBP-UHFFFAOYSA-N	-1	1	386.813	2.098	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2	ZINC000274241210	532845490	/nfs/dbraw/zinc/84/54/90/532845490.db2.gz	CRIKTOZKGWWNKK-UHFFFAOYSA-N	-1	1	388.858	2.071	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCn2cccn2)c1Cl	ZINC000289158620	532848861	/nfs/dbraw/zinc/84/88/61/532848861.db2.gz	NRBVCOSQDIQFTE-UHFFFAOYSA-N	-1	1	379.225	2.467	20	5		GEBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOc2c(Br)cccc2C1	ZINC000366256511	532915417	/nfs/dbraw/zinc/91/54/17/532915417.db2.gz	VALYZAPZBHQGPE-UHFFFAOYSA-N	-1	1	394.181	2.493	20	5		GEBDMM
O=[N+]([O-])c1ccccc1NCCNc1c2ccccc2nnc1-c1nnn[n-]1	ZINC000738369846	598935765	/nfs/dbraw/zinc/93/57/65/598935765.db2.gz	PUTUCXXWAMIAAG-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
O=[N+]([O-])c1ccccc1NCCNc1c2ccccc2nnc1-c1nn[n-]n1	ZINC000738369846	598935766	/nfs/dbraw/zinc/93/57/66/598935766.db2.gz	PUTUCXXWAMIAAG-UHFFFAOYSA-N	-1	1	377.368	2.242	20	5		GEBDMM
CN(C)C(=O)c1cccc(CCNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1	ZINC000821579629	607346285	/nfs/dbraw/zinc/34/62/85/607346285.db2.gz	ITVMUYZGRZKBOQ-UHFFFAOYSA-N	-1	1	381.396	2.131	20	5		GEBDMM
COc1ccc(-c2n[nH]c(CNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n2)cc1	ZINC000485737478	600076907	/nfs/dbraw/zinc/07/69/07/600076907.db2.gz	LHHGPOZZMXXCKG-UHFFFAOYSA-N	-1	1	397.347	2.017	20	5		GEBDMM
COc1ccc(-c2nc(CNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000485737478	600076910	/nfs/dbraw/zinc/07/69/10/600076910.db2.gz	LHHGPOZZMXXCKG-UHFFFAOYSA-N	-1	1	397.347	2.017	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cc1-c1nnn[n-]1	ZINC000826498592	607452409	/nfs/dbraw/zinc/45/24/09/607452409.db2.gz	BRPVVDBVFSABGL-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)cn3)CC2)cc1-c1nn[n-]n1	ZINC000826498592	607452410	/nfs/dbraw/zinc/45/24/10/607452410.db2.gz	BRPVVDBVFSABGL-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
CN(C)Cc1cc(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F	ZINC000737368523	600620412	/nfs/dbraw/zinc/62/04/12/600620412.db2.gz	RWLOWCNBAYWPTA-UHFFFAOYSA-N	-1	1	375.356	2.424	20	5		GEBDMM
C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000827362158	601093343	/nfs/dbraw/zinc/09/33/43/601093343.db2.gz	JUKFTDNGGZUWFU-LBPRGKRZSA-N	-1	1	399.831	2.025	20	5		GEBDMM
O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1	ZINC000826499798	607572906	/nfs/dbraw/zinc/57/29/06/607572906.db2.gz	XXVWQBUGSXHBGC-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1	ZINC000826499798	607572908	/nfs/dbraw/zinc/57/29/08/607572908.db2.gz	XXVWQBUGSXHBGC-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(Cl)cc2F)c1-c1nn[n-]n1	ZINC000826500200	607579409	/nfs/dbraw/zinc/57/94/09/607579409.db2.gz	ODPWHZHMMGSGHK-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CCCCN([C@H](C)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825282163	607586856	/nfs/dbraw/zinc/58/68/56/607586856.db2.gz	OZOSYJYYJPTMMD-LLVKDONJSA-N	-1	1	382.446	2.364	20	5		GEBDMM
CC(C)N(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824297388	607606783	/nfs/dbraw/zinc/60/67/83/607606783.db2.gz	VMLXTIBODHQNLG-UHFFFAOYSA-N	-1	1	388.409	2.379	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000826295127	607715242	/nfs/dbraw/zinc/71/52/42/607715242.db2.gz	SGJYXKWFZHGLOM-UHFFFAOYSA-N	-1	1	397.782	2.495	20	5		GEBDMM
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C	ZINC000833539978	605163307	/nfs/dbraw/zinc/16/33/07/605163307.db2.gz	QSOMOTLIRHVNKB-RYUDHWBXSA-N	-1	1	399.831	2.023	20	5		GEBDMM
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(CCC(=O)[O-])C[C@H]1C	ZINC000833539980	605163587	/nfs/dbraw/zinc/16/35/87/605163587.db2.gz	QSOMOTLIRHVNKB-VXGBXAGGSA-N	-1	1	399.831	2.023	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21	ZINC000834183594	605328465	/nfs/dbraw/zinc/32/84/65/605328465.db2.gz	PNSFXVIVAILIRL-NUEKZKHPSA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000834024585	605515271	/nfs/dbraw/zinc/51/52/71/605515271.db2.gz	FCJLDABXQLQTOG-NVXWUHKLSA-N	-1	1	390.440	2.065	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820511888	606137232	/nfs/dbraw/zinc/13/72/32/606137232.db2.gz	FBBJOBNMIFWLOM-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820511888	606137233	/nfs/dbraw/zinc/13/72/33/606137233.db2.gz	FBBJOBNMIFWLOM-MRVPVSSYSA-N	-1	1	388.365	2.020	20	5		GEBDMM
Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1-c1nnn[n-]1	ZINC000822899925	606442529	/nfs/dbraw/zinc/44/25/29/606442529.db2.gz	YQEVCYGIPPZDAW-UHFFFAOYSA-N	-1	1	397.321	2.144	20	5		GEBDMM
Nc1n[nH]c(CCCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1-c1nn[n-]n1	ZINC000822899925	606442531	/nfs/dbraw/zinc/44/25/31/606442531.db2.gz	YQEVCYGIPPZDAW-UHFFFAOYSA-N	-1	1	397.321	2.144	20	5		GEBDMM
O=C(CCC1CCCC1)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000822950278	606645129	/nfs/dbraw/zinc/64/51/29/606645129.db2.gz	IFLFCSKDGGWXSG-UHFFFAOYSA-N	-1	1	399.455	2.394	20	5		GEBDMM
CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1	ZINC000819972071	606683809	/nfs/dbraw/zinc/68/38/09/606683809.db2.gz	ZUFWLJQJGDQWLL-UHFFFAOYSA-N	-1	1	384.400	2.298	20	5		GEBDMM
CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1	ZINC000819972071	606683810	/nfs/dbraw/zinc/68/38/10/606683810.db2.gz	ZUFWLJQJGDQWLL-UHFFFAOYSA-N	-1	1	384.400	2.298	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccc(F)cc2)CCOCC1	ZINC000823620592	606702224	/nfs/dbraw/zinc/70/22/24/606702224.db2.gz	NCTHDLIGUWWPGW-UHFFFAOYSA-N	-1	1	399.386	2.469	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccc(F)cc2)CCOCC1	ZINC000823620592	606702226	/nfs/dbraw/zinc/70/22/26/606702226.db2.gz	NCTHDLIGUWWPGW-UHFFFAOYSA-N	-1	1	399.386	2.469	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000823620494	606703836	/nfs/dbraw/zinc/70/38/36/606703836.db2.gz	LUQYDASGFOXMRM-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000823620494	606703838	/nfs/dbraw/zinc/70/38/38/606703838.db2.gz	LUQYDASGFOXMRM-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
COc1cccc(N2CC[C@H](CNc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])C2)c1	ZINC000821872408	606706721	/nfs/dbraw/zinc/70/67/21/606706721.db2.gz	LSXNKHOOVRBZIK-GFCCVEGCSA-N	-1	1	396.411	2.117	20	5		GEBDMM
COc1cccc(N2CC[C@H](CNc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])C2)c1	ZINC000821872408	606706723	/nfs/dbraw/zinc/70/67/23/606706723.db2.gz	LSXNKHOOVRBZIK-GFCCVEGCSA-N	-1	1	396.411	2.117	20	5		GEBDMM
CCC[C@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821034705	606736402	/nfs/dbraw/zinc/73/64/02/606736402.db2.gz	RPNNXLCNRXZHKD-RYUDHWBXSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(OC(F)F)cc1	ZINC000823624958	607165280	/nfs/dbraw/zinc/16/52/80/607165280.db2.gz	MKGKNATYRGCTAS-UHFFFAOYSA-N	-1	1	377.311	2.426	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(OC(F)F)cc1	ZINC000823624958	607165282	/nfs/dbraw/zinc/16/52/82/607165282.db2.gz	MKGKNATYRGCTAS-UHFFFAOYSA-N	-1	1	377.311	2.426	20	5		GEBDMM
O=C(Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1)[C@H]1CCCO1	ZINC000823350665	607167703	/nfs/dbraw/zinc/16/77/03/607167703.db2.gz	WFAOUILIKLVBGJ-CYBMUJFWSA-N	-1	1	396.367	2.031	20	5		GEBDMM
O=C(Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)[C@H]1CCCO1	ZINC000823350665	607167704	/nfs/dbraw/zinc/16/77/04/607167704.db2.gz	WFAOUILIKLVBGJ-CYBMUJFWSA-N	-1	1	396.367	2.031	20	5		GEBDMM
O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000826418368	607863866	/nfs/dbraw/zinc/86/38/66/607863866.db2.gz	CMHAEUIWQSZAKM-UHFFFAOYSA-N	-1	1	376.279	2.071	20	5		GEBDMM
O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000826418368	607863867	/nfs/dbraw/zinc/86/38/67/607863867.db2.gz	CMHAEUIWQSZAKM-UHFFFAOYSA-N	-1	1	376.279	2.071	20	5		GEBDMM
COc1ccc(OC)c(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000826210803	607966489	/nfs/dbraw/zinc/96/64/89/607966489.db2.gz	FUILACYYCDCJQK-UHFFFAOYSA-N	-1	1	385.384	2.232	20	5		GEBDMM
COc1ccc(OC)c(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000826210803	607966490	/nfs/dbraw/zinc/96/64/90/607966490.db2.gz	FUILACYYCDCJQK-UHFFFAOYSA-N	-1	1	385.384	2.232	20	5		GEBDMM
Cc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000826234542	607999637	/nfs/dbraw/zinc/99/96/37/607999637.db2.gz	BICPRFZRHQHCSM-UHFFFAOYSA-N	-1	1	399.323	2.258	20	5		GEBDMM
C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1	ZINC000824437039	608016758	/nfs/dbraw/zinc/01/67/58/608016758.db2.gz	XPNDDQPVSGAPFD-SNVBAGLBSA-N	-1	1	393.367	2.436	20	5		GEBDMM
C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1	ZINC000824437039	608016759	/nfs/dbraw/zinc/01/67/59/608016759.db2.gz	XPNDDQPVSGAPFD-SNVBAGLBSA-N	-1	1	393.367	2.436	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000826497301	608099771	/nfs/dbraw/zinc/09/97/71/608099771.db2.gz	BRFWZCCPYJPPTO-LLVKDONJSA-N	-1	1	379.739	2.108	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000826497301	608099772	/nfs/dbraw/zinc/09/97/72/608099772.db2.gz	BRFWZCCPYJPPTO-LLVKDONJSA-N	-1	1	379.739	2.108	20	5		GEBDMM
Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1	ZINC000826278590	608527150	/nfs/dbraw/zinc/52/71/50/608527150.db2.gz	KROMSBLTLGJNFC-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000510505656	650512770	/nfs/dbraw/zinc/51/27/70/650512770.db2.gz	IFTDLRIPKVGDDC-VXNVDRBHSA-N	-1	1	381.273	2.387	20	5		GEBDMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1	ZINC000511005656	650523136	/nfs/dbraw/zinc/52/31/36/650523136.db2.gz	XWZRTKVIVQJIMQ-RXMQYKEDSA-N	-1	1	380.213	2.368	20	5		GEBDMM
COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)c1	ZINC000476898611	650562608	/nfs/dbraw/zinc/56/26/08/650562608.db2.gz	QYRAXHZRBOLTOB-LLVKDONJSA-N	-1	1	383.451	2.222	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000533954224	650767469	/nfs/dbraw/zinc/76/74/69/650767469.db2.gz	RVYGJWVZJGASDM-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000536459005	650802827	/nfs/dbraw/zinc/80/28/27/650802827.db2.gz	IQSHOWGIDLSHTA-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCN(CC(F)(F)F)C1	ZINC000101575683	643109730	/nfs/dbraw/zinc/10/97/30/643109730.db2.gz	PTOACNZYBSYNSS-VIFPVBQESA-N	-1	1	387.767	2.163	20	5		GEBDMM
O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1c1ccccc1	ZINC000114500400	643420640	/nfs/dbraw/zinc/42/06/40/643420640.db2.gz	YKCAJZGOCLQETC-LBPRGKRZSA-N	-1	1	381.435	2.130	20	5		GEBDMM
CC(C)NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000116356116	643459790	/nfs/dbraw/zinc/45/97/90/643459790.db2.gz	AVVBTWZQYXTZMG-QWRGUYRKSA-N	-1	1	375.472	2.018	20	5		GEBDMM
O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NC1CCCCC1	ZINC000119577215	643558528	/nfs/dbraw/zinc/55/85/28/643558528.db2.gz	JLQQEBXTGFPEPR-UHFFFAOYSA-N	-1	1	389.861	2.366	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1c(F)cccc1F	ZINC000121044452	643628131	/nfs/dbraw/zinc/62/81/31/643628131.db2.gz	LTLOOHIHUZFERE-NSHDSACASA-N	-1	1	376.312	2.024	20	5		GEBDMM
C[C@@H]1CN(CCC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000131249813	643868486	/nfs/dbraw/zinc/86/84/86/643868486.db2.gz	QCKCPFLGCZKANX-TXEJJXNPSA-N	-1	1	391.877	2.026	20	5		GEBDMM
C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000277635543	646455622	/nfs/dbraw/zinc/45/56/22/646455622.db2.gz	CNFJHMNWHBNCKD-WPRPVWTQSA-N	-1	1	379.232	2.061	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1=CCCOC1	ZINC000287559780	646893793	/nfs/dbraw/zinc/89/37/93/646893793.db2.gz	WCUHQONVLMFPPL-UHFFFAOYSA-N	-1	1	395.206	2.121	20	5		GEBDMM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1(C)C	ZINC000332474441	647440176	/nfs/dbraw/zinc/44/01/76/647440176.db2.gz	NIKVNMSADALLOS-DOMZBBRYSA-N	-1	1	392.861	2.093	20	5		GEBDMM
C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])O1	ZINC000416526005	648159803	/nfs/dbraw/zinc/15/98/03/648159803.db2.gz	AUMFSXMXMRFLNE-SCZZXKLOSA-N	-1	1	379.232	2.203	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccn(C)n1	ZINC000416555409	648170307	/nfs/dbraw/zinc/17/03/07/648170307.db2.gz	FCUUCGZZXSCEQZ-MRVPVSSYSA-N	-1	1	389.231	2.130	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H](O)C(C)C	ZINC000416632509	648194879	/nfs/dbraw/zinc/19/48/79/648194879.db2.gz	WMSUYZMXVKPSKI-MFKMUULPSA-N	-1	1	395.275	2.431	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2c1OCCO2	ZINC000728060022	651536568	/nfs/dbraw/zinc/53/65/68/651536568.db2.gz	MFZCAKDGISQBHH-UHFFFAOYSA-N	-1	1	384.797	2.498	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(Br)s1	ZINC000610260266	651651711	/nfs/dbraw/zinc/65/17/11/651651711.db2.gz	WROJFVMMKRKNSZ-UHFFFAOYSA-N	-1	1	392.256	2.335	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(F)(F)F	ZINC000732667918	651669689	/nfs/dbraw/zinc/66/96/89/651669689.db2.gz	AMJXGVLPUVLGEK-UHFFFAOYSA-N	-1	1	375.756	2.021	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000741252120	651941767	/nfs/dbraw/zinc/94/17/67/651941767.db2.gz	PGVMKEQISDJXEP-SNVBAGLBSA-N	-1	1	378.834	2.316	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC(C)C	ZINC000742309309	651978199	/nfs/dbraw/zinc/97/81/99/651978199.db2.gz	PLIJUGSPVXDHAU-SNVBAGLBSA-N	-1	1	378.834	2.362	20	5		GEBDMM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1[nH]nc(C(F)(F)F)c1C	ZINC000619507391	652062930	/nfs/dbraw/zinc/06/29/30/652062930.db2.gz	MGTVMTWFTBNWKY-UHFFFAOYSA-N	-1	1	380.304	2.455	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCNc1ncc(Cl)cc1Cl	ZINC000577036613	652164615	/nfs/dbraw/zinc/16/46/15/652164615.db2.gz	TYYHHGRRCJLEHA-UHFFFAOYSA-N	-1	1	392.224	2.082	20	5		GEBDMM
COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000751224425	652332703	/nfs/dbraw/zinc/33/27/03/652332703.db2.gz	RWEDQXVBKKFPQG-CYBMUJFWSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000751420802	652346834	/nfs/dbraw/zinc/34/68/34/652346834.db2.gz	FSRKTGJOYGWDBZ-ZDUSSCGKSA-N	-1	1	386.451	2.455	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CSc2ccccc2O1	ZINC000592069773	652583320	/nfs/dbraw/zinc/58/33/20/652583320.db2.gz	YHNOWCFXFHWTIW-NSHDSACASA-N	-1	1	381.435	2.212	20	5		GEBDMM
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000762589324	652705205	/nfs/dbraw/zinc/70/52/05/652705205.db2.gz	QWHFLSLTXKFFRT-UHFFFAOYSA-N	-1	1	388.398	2.247	20	5		GEBDMM
CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599396360	652866113	/nfs/dbraw/zinc/86/61/13/652866113.db2.gz	IHOKJYAWHPNPAY-ISVAXAHUSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599409406	652868407	/nfs/dbraw/zinc/86/84/07/652868407.db2.gz	CCXXHMYDLLGZFK-LLVKDONJSA-N	-1	1	395.275	2.433	20	5		GEBDMM
COC(=O)[C@@](C)([N-]S(=O)(=O)c1sccc1C)c1cccc([N+](=O)[O-])c1	ZINC000599488416	652876430	/nfs/dbraw/zinc/87/64/30/652876430.db2.gz	YQTDUSYXWOGUFM-HNNXBMFYSA-N	-1	1	384.435	2.331	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1	ZINC000768506155	653114981	/nfs/dbraw/zinc/11/49/81/653114981.db2.gz	WHOSJSWJBQUJLI-UHFFFAOYSA-N	-1	1	398.198	2.429	20	5		GEBDMM
COC(=O)[C@H](C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1	ZINC000768846657	653131503	/nfs/dbraw/zinc/13/15/03/653131503.db2.gz	MFNZPJPXWKDOCE-YGRLFVJLSA-N	-1	1	384.435	2.485	20	5		GEBDMM
CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21	ZINC000768865671	653133753	/nfs/dbraw/zinc/13/37/53/653133753.db2.gz	KNYDAFAZQMVTPE-ZDUSSCGKSA-N	-1	1	381.435	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCOc2cccnc2)cc1Cl	ZINC000809816532	653299024	/nfs/dbraw/zinc/29/90/24/653299024.db2.gz	JGSILVDNBKSYLJ-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)cc1Cl	ZINC000809832446	653306245	/nfs/dbraw/zinc/30/62/45/653306245.db2.gz	QFJGKOCGHIRXSG-JTQLQIEISA-N	-1	1	378.765	2.382	20	5		GEBDMM
NC(=O)c1coc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1	ZINC000809834717	653306864	/nfs/dbraw/zinc/30/68/64/653306864.db2.gz	LWPJRRLYXZHVAS-UHFFFAOYSA-N	-1	1	394.192	2.072	20	5		GEBDMM
O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000837289303	653420289	/nfs/dbraw/zinc/42/02/89/653420289.db2.gz	YFVBRSLGZITUGJ-LURJTMIESA-N	-1	1	394.686	2.071	20	5		GEBDMM
NC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Br)c1	ZINC000780070974	653620001	/nfs/dbraw/zinc/62/00/01/653620001.db2.gz	ASQHCKWOYZYVRM-ZDUSSCGKSA-N	-1	1	395.165	2.446	20	5		GEBDMM
CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000814285731	653626806	/nfs/dbraw/zinc/62/68/06/653626806.db2.gz	NBAVUKJSZXDCPS-SECBINFHSA-N	-1	1	395.840	2.218	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(Br)ccn1	ZINC000814399879	653630369	/nfs/dbraw/zinc/63/03/69/653630369.db2.gz	SCQUUELJKUAHBD-UHFFFAOYSA-N	-1	1	390.190	2.370	20	5		GEBDMM
CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000814995186	653642331	/nfs/dbraw/zinc/64/23/31/653642331.db2.gz	NDZZBNRUMIZXPA-MADCSZMMSA-N	-1	1	382.797	2.253	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H]2CCO[C@H]21	ZINC000815019871	653644331	/nfs/dbraw/zinc/64/43/31/653644331.db2.gz	PLPHSIKPGVTJKS-KEMBBXRSSA-N	-1	1	378.809	2.479	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1COC2(CCCC2)O1	ZINC000815031555	653646337	/nfs/dbraw/zinc/64/63/37/653646337.db2.gz	WSTUZLJOGGJNGK-SECBINFHSA-N	-1	1	394.808	2.351	20	5		GEBDMM
Cn1cc(S(=O)(=O)[N-][C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)cn1	ZINC000840955169	653703852	/nfs/dbraw/zinc/70/38/52/653703852.db2.gz	SYDZEFAYBGJILB-NSHDSACASA-N	-1	1	382.295	2.049	20	5		GEBDMM
CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000841534477	653729089	/nfs/dbraw/zinc/72/90/89/653729089.db2.gz	KIKUIFXYNIUBTN-SNVBAGLBSA-N	-1	1	383.209	2.132	20	5		GEBDMM
CCO[C@@H]1C[C@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C	ZINC000788932521	653766827	/nfs/dbraw/zinc/76/68/27/653766827.db2.gz	MSWOHSRVXBJPQF-HIFRSBDPSA-N	-1	1	392.861	2.093	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCSC3)C2)cc1F	ZINC000866985435	653860352	/nfs/dbraw/zinc/86/03/52/653860352.db2.gz	HMHBKHDKKFKLML-NHYWBVRUSA-N	-1	1	390.458	2.375	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC1CC1	ZINC000845993222	653878253	/nfs/dbraw/zinc/87/82/53/653878253.db2.gz	XKPFELKVOJGDHD-SNVBAGLBSA-N	-1	1	376.818	2.116	20	5		GEBDMM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795851825	653970668	/nfs/dbraw/zinc/97/06/68/653970668.db2.gz	HLFKFJYUEBQGCS-GFCCVEGCSA-N	-1	1	399.238	2.326	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC[C@@H]1CCOC1	ZINC000795925208	653977550	/nfs/dbraw/zinc/97/75/50/653977550.db2.gz	ZZTNNCSYDJLHFO-MRVPVSSYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
COCC1(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000827889270	654012243	/nfs/dbraw/zinc/01/22/43/654012243.db2.gz	DJYDPLJUIRDPRE-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
COC1CC(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000849412276	654026562	/nfs/dbraw/zinc/02/65/62/654026562.db2.gz	KCMDJXVNSXKMBQ-UHFFFAOYSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830995772	654155040	/nfs/dbraw/zinc/15/50/40/654155040.db2.gz	KYCOAMAFZJDLMD-CBAPKCEASA-N	-1	1	396.252	2.095	20	5		GEBDMM
CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000831977246	654221856	/nfs/dbraw/zinc/22/18/56/654221856.db2.gz	VONJRSFINQERHQ-ZDUSSCGKSA-N	-1	1	395.840	2.169	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN2CCSC[C@H]12	ZINC000921323591	654248446	/nfs/dbraw/zinc/24/84/46/654248446.db2.gz	KVEOZERTKBDIJS-DGCLKSJQSA-N	-1	1	391.902	2.106	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]([C@@H](CO)C1CC1)C1CC1	ZINC000832232294	654249553	/nfs/dbraw/zinc/24/95/53/654249553.db2.gz	PTBIZKFZLALKKC-BONVTDFDSA-N	-1	1	392.836	2.463	20	5		GEBDMM
CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1	ZINC000067752992	531888356	/nfs/dbraw/zinc/88/83/56/531888356.db2.gz	IXYGECGCTNXNTM-UHFFFAOYSA-N	-1	1	384.439	2.400	20	5		GEBDMM
C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000120745182	531992457	/nfs/dbraw/zinc/99/24/57/531992457.db2.gz	GFPIYBAYQCBNIH-DTWKUNHWSA-N	-1	1	381.248	2.043	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1	ZINC000121766936	532046678	/nfs/dbraw/zinc/04/66/78/532046678.db2.gz	XIAWRJGWUDSEAS-GXSJLCMTSA-N	-1	1	393.259	2.187	20	5		GEBDMM
CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000146816610	532299002	/nfs/dbraw/zinc/29/90/02/532299002.db2.gz	VOTZYCUTMNJMLD-UHFFFAOYSA-N	-1	1	377.850	2.175	20	5		GEBDMM
CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000188642840	532348961	/nfs/dbraw/zinc/34/89/61/532348961.db2.gz	LVVPVVZEBRHFRB-UHFFFAOYSA-N	-1	1	381.248	2.451	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1	ZINC000589922937	532365097	/nfs/dbraw/zinc/36/50/97/532365097.db2.gz	RFMIVZJTLMFVRG-RDDDGLTNSA-N	-1	1	388.751	2.372	20	5		GEBDMM
CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000295202480	532417158	/nfs/dbraw/zinc/41/71/58/532417158.db2.gz	FLIKYQXYXMIPMS-UHFFFAOYSA-N	-1	1	399.238	2.183	20	5		GEBDMM
CCSc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1	ZINC000517898557	532430483	/nfs/dbraw/zinc/43/04/83/532430483.db2.gz	GMXLPFBDPOVDAI-UHFFFAOYSA-N	-1	1	388.452	2.214	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCSCCCO)c1Cl	ZINC000295636935	532465916	/nfs/dbraw/zinc/46/59/16/532465916.db2.gz	PHOUDQCVANVQLE-UHFFFAOYSA-N	-1	1	389.282	2.296	20	5		GEBDMM
CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	ZINC000295712986	532471133	/nfs/dbraw/zinc/47/11/33/532471133.db2.gz	NLEHBNWGOOZHGT-JTQLQIEISA-N	-1	1	384.241	2.080	20	5		GEBDMM
CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC	ZINC000469158946	532494611	/nfs/dbraw/zinc/49/46/11/532494611.db2.gz	HHLKJNDSUFQFGJ-MRVPVSSYSA-N	-1	1	384.332	2.391	20	5		GEBDMM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295766942	532474181	/nfs/dbraw/zinc/47/41/81/532474181.db2.gz	POZKSMOUAFBXJG-VIFPVBQESA-N	-1	1	381.248	2.187	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000594473739	532509695	/nfs/dbraw/zinc/50/96/95/532509695.db2.gz	FGYGXTRGDWLCCY-UHFFFAOYSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296081148	532500291	/nfs/dbraw/zinc/50/02/91/532500291.db2.gz	GYSDIHFQTNJJOL-ZETCQYMHSA-N	-1	1	384.241	2.047	20	5		GEBDMM
C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000296417506	532520548	/nfs/dbraw/zinc/52/05/48/532520548.db2.gz	URIPTKGLLXGIFS-IUCAKERBSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC(F)(F)F)c(Br)c1	ZINC000474374765	532614847	/nfs/dbraw/zinc/61/48/47/532614847.db2.gz	KDGIJCZVRFLGOH-UHFFFAOYSA-N	-1	1	393.137	2.172	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1	ZINC000435596688	532621797	/nfs/dbraw/zinc/62/17/97/532621797.db2.gz	ZAAOLLVKVRBGRB-JOYOIKCWSA-N	-1	1	388.808	2.438	20	5		GEBDMM
O=C([O-])C[C@@H](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(F)(F)F	ZINC000285136205	532650070	/nfs/dbraw/zinc/65/00/70/532650070.db2.gz	NXSUISDBEHWBKD-SSDOTTSWSA-N	-1	1	388.295	2.056	20	5		GEBDMM
C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000285495356	532684792	/nfs/dbraw/zinc/68/47/92/532684792.db2.gz	DWWFCICWZOWHNU-ZJUUUORDSA-N	-1	1	393.259	2.308	20	5		GEBDMM
CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000538456700	532711692	/nfs/dbraw/zinc/71/16/92/532711692.db2.gz	GLWHLFDJLMJPOK-SNVBAGLBSA-N	-1	1	394.471	2.072	20	5		GEBDMM
O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1nc2ncc(Br)cn2n1	ZINC000608870695	532714860	/nfs/dbraw/zinc/71/48/60/532714860.db2.gz	PEBTUABESFTGGA-UHFFFAOYSA-N	-1	1	381.121	2.186	20	5		GEBDMM
C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000286272095	532737874	/nfs/dbraw/zinc/73/78/74/532737874.db2.gz	FBKKUVRKUIIVHN-QMMMGPOBSA-N	-1	1	399.238	2.183	20	5		GEBDMM
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000451637636	532769308	/nfs/dbraw/zinc/76/93/08/532769308.db2.gz	DWKIRKMTTSEUAQ-JTQLQIEISA-N	-1	1	381.248	2.451	20	5		GEBDMM
Cc1noc(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1	ZINC000289086275	532846994	/nfs/dbraw/zinc/84/69/94/532846994.db2.gz	HZILSLDANGUULB-UHFFFAOYSA-N	-1	1	381.197	2.114	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)CCN=c2nc(C3CCCC3)[n-]s2)cc1	ZINC000420613563	532884458	/nfs/dbraw/zinc/88/44/58/532884458.db2.gz	SFFFIQASBBZBLU-UHFFFAOYSA-N	-1	1	382.467	2.412	20	5		GEBDMM
O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000738259485	599207579	/nfs/dbraw/zinc/20/75/79/599207579.db2.gz	QFQMHCDVQMLMEU-INIZCTEOSA-N	-1	1	383.393	2.058	20	5		GEBDMM
O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000738259485	599207581	/nfs/dbraw/zinc/20/75/81/599207581.db2.gz	QFQMHCDVQMLMEU-INIZCTEOSA-N	-1	1	383.393	2.058	20	5		GEBDMM
CC(C)[C@@H](NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)[O-]	ZINC000820044220	598189741	/nfs/dbraw/zinc/18/97/41/598189741.db2.gz	YNZLLGANPIRVBK-CQSZACIVSA-N	-1	1	378.410	2.356	20	5		GEBDMM
O=[N+]([O-])c1cccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c1	ZINC000738370620	598575568	/nfs/dbraw/zinc/57/55/68/598575568.db2.gz	WYVHJWKCTNGUOV-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1cccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1	ZINC000738370620	598575570	/nfs/dbraw/zinc/57/55/70/598575570.db2.gz	WYVHJWKCTNGUOV-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C(=O)[O-]	ZINC000831434768	600689509	/nfs/dbraw/zinc/68/95/09/600689509.db2.gz	BUGNJUZHUKRXHW-UHFFFAOYSA-N	-1	1	394.361	2.189	20	5		GEBDMM
C[C@@](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])(C(=O)[O-])C1CC1	ZINC000827746892	600753526	/nfs/dbraw/zinc/75/35/26/600753526.db2.gz	HKHOYXXQAGWNLZ-LBPRGKRZSA-N	-1	1	383.209	2.433	20	5		GEBDMM
Cc1nnc(-c2cccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])c2)n1C	ZINC000822505745	607470021	/nfs/dbraw/zinc/47/00/21/607470021.db2.gz	ULCLAPFXKRQENX-UHFFFAOYSA-N	-1	1	378.356	2.017	20	5		GEBDMM
Cc1nnc(-c2cccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])c2)n1C	ZINC000822505745	607470022	/nfs/dbraw/zinc/47/00/22/607470022.db2.gz	ULCLAPFXKRQENX-UHFFFAOYSA-N	-1	1	378.356	2.017	20	5		GEBDMM
C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547939710	601224555	/nfs/dbraw/zinc/22/45/55/601224555.db2.gz	RVOCCVIOVVKCQK-IINYFYTJSA-N	-1	1	382.369	2.474	20	5		GEBDMM
C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1	ZINC000547939714	601224710	/nfs/dbraw/zinc/22/47/10/601224710.db2.gz	RVOCCVIOVVKCQK-YGRLFVJLSA-N	-1	1	382.369	2.474	20	5		GEBDMM
COc1cc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1F	ZINC000832010583	602122706	/nfs/dbraw/zinc/12/27/06/602122706.db2.gz	HTXYUKDOJQJTJN-UHFFFAOYSA-N	-1	1	388.304	2.381	20	5		GEBDMM
CCCc1[nH]nc(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000739375750	602419330	/nfs/dbraw/zinc/41/93/30/602419330.db2.gz	HRFBBFVYELIEKY-CYBMUJFWSA-N	-1	1	379.417	2.265	20	5		GEBDMM
Cc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c1C	ZINC000826300078	607576009	/nfs/dbraw/zinc/57/60/09/607576009.db2.gz	HUIWHYFZDXEUSV-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000740681581	603060752	/nfs/dbraw/zinc/06/07/52/603060752.db2.gz	OOKHMHGPPNMOFU-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n[nH]1	ZINC000740681581	603060756	/nfs/dbraw/zinc/06/07/56/603060756.db2.gz	OOKHMHGPPNMOFU-UHFFFAOYSA-N	-1	1	382.336	2.400	20	5		GEBDMM
CCOc1ccc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1	ZINC000827439717	603987888	/nfs/dbraw/zinc/98/78/88/603987888.db2.gz	QDIGXHWHMMUVJP-UHFFFAOYSA-N	-1	1	380.401	2.006	20	5		GEBDMM
CCCc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000825348501	607667875	/nfs/dbraw/zinc/66/78/75/607667875.db2.gz	NQBIUHXEPGZDJE-UHFFFAOYSA-N	-1	1	389.393	2.495	20	5		GEBDMM
CCCC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CCC1	ZINC000825248574	607671087	/nfs/dbraw/zinc/67/10/87/607671087.db2.gz	WGLIRSHRIHYHTG-UHFFFAOYSA-N	-1	1	380.430	2.024	20	5		GEBDMM
CC(C)C1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1	ZINC000824213440	607672871	/nfs/dbraw/zinc/67/28/71/607672871.db2.gz	BINDGACBNRMHJT-UHFFFAOYSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417025	604857712	/nfs/dbraw/zinc/85/77/12/604857712.db2.gz	KFFMUKROBDJLPW-SWLSCSKDSA-N	-1	1	389.408	2.050	20	5		GEBDMM
COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833733047	605167804	/nfs/dbraw/zinc/16/78/04/605167804.db2.gz	AAUIYLAFKCPQNF-UHFFFAOYSA-N	-1	1	387.757	2.151	20	5		GEBDMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833745210	605290604	/nfs/dbraw/zinc/29/06/04/605290604.db2.gz	XCLLBIUSEQITTM-UHFFFAOYSA-N	-1	1	399.312	2.450	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21	ZINC000834187154	605323235	/nfs/dbraw/zinc/32/32/35/605323235.db2.gz	YLPQWIGASYMNGG-NUEKZKHPSA-N	-1	1	386.412	2.179	20	5		GEBDMM
CC(C)c1[nH]nc(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1[N+](=O)[O-]	ZINC000824453748	605372254	/nfs/dbraw/zinc/37/22/54/605372254.db2.gz	VJOANRQODIXXRW-GFCCVEGCSA-N	-1	1	379.417	2.436	20	5		GEBDMM
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833789016	605454892	/nfs/dbraw/zinc/45/48/92/605454892.db2.gz	FUHMMXZJWHAKAN-KOZAUXTDSA-N	-1	1	376.413	2.290	20	5		GEBDMM
O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031431	605522569	/nfs/dbraw/zinc/52/25/69/605522569.db2.gz	ZGUSOMVITCCIEA-PBHICJAKSA-N	-1	1	390.440	2.065	20	5		GEBDMM
O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000834031432	605523152	/nfs/dbraw/zinc/52/31/52/605523152.db2.gz	ZGUSOMVITCCIEA-RHSMWYFYSA-N	-1	1	390.440	2.065	20	5		GEBDMM
CCc1nn(Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1CC	ZINC000821518168	606042655	/nfs/dbraw/zinc/04/26/55/606042655.db2.gz	PYYWJYICRDMCFA-UHFFFAOYSA-N	-1	1	389.803	2.158	20	5		GEBDMM
O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nnn[n-]2)s1	ZINC000823290448	606595753	/nfs/dbraw/zinc/59/57/53/606595753.db2.gz	XRDRXJDKDFXSSX-UHFFFAOYSA-N	-1	1	382.365	2.479	20	5		GEBDMM
O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(-c2nn[n-]n2)s1	ZINC000823290448	606595754	/nfs/dbraw/zinc/59/57/54/606595754.db2.gz	XRDRXJDKDFXSSX-UHFFFAOYSA-N	-1	1	382.365	2.479	20	5		GEBDMM
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000822958750	606649198	/nfs/dbraw/zinc/64/91/98/606649198.db2.gz	GAVFFGXIDLLUIU-UHFFFAOYSA-N	-1	1	383.368	2.105	20	5		GEBDMM
O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000822958750	606649199	/nfs/dbraw/zinc/64/91/99/606649199.db2.gz	GAVFFGXIDLLUIU-UHFFFAOYSA-N	-1	1	383.368	2.105	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccnc(OCC(F)(F)F)c1	ZINC000823625114	606698880	/nfs/dbraw/zinc/69/88/80/606698880.db2.gz	PIIYKQUYZODWAI-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccnc(OCC(F)(F)F)c1	ZINC000823625114	606698881	/nfs/dbraw/zinc/69/88/81/606698881.db2.gz	PIIYKQUYZODWAI-UHFFFAOYSA-N	-1	1	396.289	2.118	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccnc1OC1CCCC1	ZINC000823624564	606698956	/nfs/dbraw/zinc/69/89/56/606698956.db2.gz	CQKZTVNTTJDGKU-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccnc1OC1CCCC1	ZINC000823624564	606698957	/nfs/dbraw/zinc/69/89/57/606698957.db2.gz	CQKZTVNTTJDGKU-UHFFFAOYSA-N	-1	1	382.384	2.498	20	5		GEBDMM
CCC(CC)C(=O)N1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000820893739	606699728	/nfs/dbraw/zinc/69/97/28/606699728.db2.gz	ULDPJYJMWXALBF-UHFFFAOYSA-N	-1	1	388.432	2.009	20	5		GEBDMM
CCC(CC)C(=O)N1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000820893739	606699730	/nfs/dbraw/zinc/69/97/30/606699730.db2.gz	ULDPJYJMWXALBF-UHFFFAOYSA-N	-1	1	388.432	2.009	20	5		GEBDMM
CC[C@@H](C)NC(=O)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820876714	606701524	/nfs/dbraw/zinc/70/15/24/606701524.db2.gz	SKTQFODGAXMGBZ-SNVBAGLBSA-N	-1	1	382.384	2.442	20	5		GEBDMM
CC[C@@H](C)NC(=O)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820876714	606701526	/nfs/dbraw/zinc/70/15/26/606701526.db2.gz	SKTQFODGAXMGBZ-SNVBAGLBSA-N	-1	1	382.384	2.442	20	5		GEBDMM
COC(=O)N(C)Cc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821664023	606711108	/nfs/dbraw/zinc/71/11/08/606711108.db2.gz	ZLJMSYNKLHMKAZ-UHFFFAOYSA-N	-1	1	384.356	2.112	20	5		GEBDMM
COC(=O)N(C)Cc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821664023	606711110	/nfs/dbraw/zinc/71/11/10/606711110.db2.gz	ZLJMSYNKLHMKAZ-UHFFFAOYSA-N	-1	1	384.356	2.112	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1c(F)cccc1Cl	ZINC000823621204	606712905	/nfs/dbraw/zinc/71/29/05/606712905.db2.gz	ZCXAOTFUPZYMMC-SNVBAGLBSA-N	-1	1	379.739	2.108	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1c(F)cccc1Cl	ZINC000823621204	606712906	/nfs/dbraw/zinc/71/29/06/606712906.db2.gz	ZCXAOTFUPZYMMC-SNVBAGLBSA-N	-1	1	379.739	2.108	20	5		GEBDMM
CCO[C@@H](C)c1nc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1	ZINC000821347184	606713369	/nfs/dbraw/zinc/71/33/69/606713369.db2.gz	SKHRKUUMIWWTTB-VIFPVBQESA-N	-1	1	390.429	2.360	20	5		GEBDMM
CCO[C@@H](C)c1nc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1	ZINC000821347184	606713370	/nfs/dbraw/zinc/71/33/70/606713370.db2.gz	SKHRKUUMIWWTTB-VIFPVBQESA-N	-1	1	390.429	2.360	20	5		GEBDMM
CCC[C@@H]1[C@@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821034704	606736310	/nfs/dbraw/zinc/73/63/10/606736310.db2.gz	RPNNXLCNRXZHKD-NWDGAFQWSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21	ZINC000823644052	606847351	/nfs/dbraw/zinc/84/73/51/606847351.db2.gz	DYGUXBPPONHGOX-UHFFFAOYSA-N	-1	1	398.360	2.091	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21	ZINC000823644052	606847352	/nfs/dbraw/zinc/84/73/52/606847352.db2.gz	DYGUXBPPONHGOX-UHFFFAOYSA-N	-1	1	398.360	2.091	20	5		GEBDMM
CC(C)CC[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820072732	607143797	/nfs/dbraw/zinc/14/37/97/607143797.db2.gz	LWBXBYDYQSSTOA-GFCCVEGCSA-N	-1	1	394.457	2.364	20	5		GEBDMM
COc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000821723610	607166068	/nfs/dbraw/zinc/16/60/68/607166068.db2.gz	FRZOJZFCFGMICV-UHFFFAOYSA-N	-1	1	396.367	2.049	20	5		GEBDMM
COc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1N1CCCC1=O	ZINC000821723610	607166070	/nfs/dbraw/zinc/16/60/70/607166070.db2.gz	FRZOJZFCFGMICV-UHFFFAOYSA-N	-1	1	396.367	2.049	20	5		GEBDMM
COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC(F)F	ZINC000821824540	607167171	/nfs/dbraw/zinc/16/71/71/607167171.db2.gz	MJMGPXXAQXKZSX-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC(F)F	ZINC000821824540	607167172	/nfs/dbraw/zinc/16/71/72/607167172.db2.gz	MJMGPXXAQXKZSX-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000825717651	607906149	/nfs/dbraw/zinc/90/61/49/607906149.db2.gz	NZTARHSCLODAAK-UHFFFAOYSA-N	-1	1	375.366	2.105	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC23CCCCC3)c1-c1nn[n-]n1	ZINC000826500353	607976185	/nfs/dbraw/zinc/97/61/85/607976185.db2.gz	VLIHESZCNDQGTL-UHFFFAOYSA-N	-1	1	392.441	2.262	20	5		GEBDMM
COc1ccc(C[C@@H](C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1OC	ZINC000826191266	608099618	/nfs/dbraw/zinc/09/96/18/608099618.db2.gz	BCWZQFAZYSDKDU-LLVKDONJSA-N	-1	1	399.411	2.478	20	5		GEBDMM
COc1ccc(C[C@@H](C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1OC	ZINC000826191266	608099619	/nfs/dbraw/zinc/09/96/19/608099619.db2.gz	BCWZQFAZYSDKDU-LLVKDONJSA-N	-1	1	399.411	2.478	20	5		GEBDMM
Cc1nn(-c2ccccc2)cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000826333013	609316700	/nfs/dbraw/zinc/31/67/00/609316700.db2.gz	QJSAWQPAWFUEEF-UHFFFAOYSA-N	-1	1	377.368	2.276	20	5		GEBDMM
Cc1nn(-c2ccccc2)cc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000826333013	609316702	/nfs/dbraw/zinc/31/67/02/609316702.db2.gz	QJSAWQPAWFUEEF-UHFFFAOYSA-N	-1	1	377.368	2.276	20	5		GEBDMM
NC(=O)c1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1	ZINC000447197712	650001799	/nfs/dbraw/zinc/00/17/99/650001799.db2.gz	DWMAPCGPFHUICX-UHFFFAOYSA-N	-1	1	377.201	2.227	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(Br)c1	ZINC000451740627	650138175	/nfs/dbraw/zinc/13/81/75/650138175.db2.gz	YLUAGIRMBPLOMO-UHFFFAOYSA-N	-1	1	397.222	2.154	20	5		GEBDMM
CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000451803665	650143570	/nfs/dbraw/zinc/14/35/70/650143570.db2.gz	RQZVSSDIWLUVAN-LBPRGKRZSA-N	-1	1	381.248	2.451	20	5		GEBDMM
Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1	ZINC000451807255	650143969	/nfs/dbraw/zinc/14/39/69/650143969.db2.gz	YEKYTQDICQUGTE-UHFFFAOYSA-N	-1	1	398.750	2.479	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3cccs3)C2)c([N+](=O)[O-])n1	ZINC000451971513	650159489	/nfs/dbraw/zinc/15/94/89/650159489.db2.gz	ZTOVIDSSJDCODW-QWRGUYRKSA-N	-1	1	386.455	2.071	20	5		GEBDMM
CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451976113	650160018	/nfs/dbraw/zinc/16/00/18/650160018.db2.gz	MHHYCFQCGVBOOE-GXSJLCMTSA-N	-1	1	381.248	2.185	20	5		GEBDMM
COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)c1cccs1	ZINC000503477562	650418376	/nfs/dbraw/zinc/41/83/76/650418376.db2.gz	RUHOKFDXZUNKFR-CQSZACIVSA-N	-1	1	384.435	2.033	20	5		GEBDMM
CCOC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1	ZINC000462401618	650477984	/nfs/dbraw/zinc/47/79/84/650477984.db2.gz	KRYWCYUULJXZQK-GFCCVEGCSA-N	-1	1	384.435	2.282	20	5		GEBDMM
Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1	ZINC000476978320	650564608	/nfs/dbraw/zinc/56/46/08/650564608.db2.gz	FEQKBOSKWJIOCE-SECBINFHSA-N	-1	1	385.423	2.170	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])n1	ZINC000485934003	650703076	/nfs/dbraw/zinc/70/30/76/650703076.db2.gz	OOQFLIUDNWEOIW-VIFPVBQESA-N	-1	1	381.439	2.460	20	5		GEBDMM
O=C([N-]c1nncs1)c1cc([N+](=O)[O-])ccc1I	ZINC000033244707	642503926	/nfs/dbraw/zinc/50/39/26/642503926.db2.gz	UTSVXQBOBRANRN-UHFFFAOYSA-N	-1	1	376.135	2.303	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1	ZINC000534405623	650774190	/nfs/dbraw/zinc/77/41/90/650774190.db2.gz	LAKKTAYQDPTWHI-UHFFFAOYSA-N	-1	1	382.829	2.437	20	5		GEBDMM
CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000050373830	642681108	/nfs/dbraw/zinc/68/11/08/642681108.db2.gz	VDSHDBBWJINMGB-MWLCHTKSSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CCC(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1	ZINC000066327620	642908710	/nfs/dbraw/zinc/90/87/10/642908710.db2.gz	MBMHJZKLFBRVMK-ZDUSSCGKSA-N	-1	1	391.515	2.072	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]Cc1cscn1	ZINC000070168343	643049087	/nfs/dbraw/zinc/04/90/87/643049087.db2.gz	YCHIUQJROLLEGR-UHFFFAOYSA-N	-1	1	378.229	2.292	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCc2sccc2C1	ZINC000098117656	643103611	/nfs/dbraw/zinc/10/36/11/643103611.db2.gz	JJPKKDXDQUCADX-SNVBAGLBSA-N	-1	1	387.508	2.443	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000537356069	650814027	/nfs/dbraw/zinc/81/40/27/650814027.db2.gz	DTPBQUYXCLAAHJ-GFCCVEGCSA-N	-1	1	382.829	2.200	20	5		GEBDMM
CC(C)NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000116356121	643459506	/nfs/dbraw/zinc/45/95/06/643459506.db2.gz	AVVBTWZQYXTZMG-WDEREUQCSA-N	-1	1	375.472	2.018	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000497955471	650843253	/nfs/dbraw/zinc/84/32/53/650843253.db2.gz	ZKKQYUVUXVSLBT-OIBJUYFYSA-N	-1	1	376.740	2.228	20	5		GEBDMM
COCC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1	ZINC000499682814	650890368	/nfs/dbraw/zinc/89/03/68/650890368.db2.gz	XGGAUANGVMWUQG-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1cnn(C)c1	ZINC000266194043	645832588	/nfs/dbraw/zinc/83/25/88/645832588.db2.gz	NGSJNMAHVRXVCN-MRVPVSSYSA-N	-1	1	389.231	2.130	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cn2c(n1)CCCC2	ZINC000363618135	647603008	/nfs/dbraw/zinc/60/30/08/647603008.db2.gz	RYVDGUILLLPSHM-UHFFFAOYSA-N	-1	1	384.845	2.302	20	5		GEBDMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(n2cc(Br)cn2)CC1	ZINC000369145078	647770590	/nfs/dbraw/zinc/77/05/90/647770590.db2.gz	SYLIBNJWXZJCEH-UHFFFAOYSA-N	-1	1	396.201	2.132	20	5		GEBDMM
Cc1nnc2n1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000377868366	647870533	/nfs/dbraw/zinc/87/05/33/647870533.db2.gz	HRRLCOYRUXVPTE-JTQLQIEISA-N	-1	1	389.796	2.101	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(CF)CCOCC1	ZINC000416491895	648146718	/nfs/dbraw/zinc/14/67/18/648146718.db2.gz	AMAYHVAUYNSZQI-UHFFFAOYSA-N	-1	1	386.323	2.411	20	5		GEBDMM
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)O1	ZINC000416606424	648185090	/nfs/dbraw/zinc/18/50/90/648185090.db2.gz	NUBFHFXSNMHUFN-KXUCPTDWSA-N	-1	1	393.259	2.449	20	5		GEBDMM
CC[C@H](O)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443244337	648868818	/nfs/dbraw/zinc/86/88/18/648868818.db2.gz	FDGYDBPXPPNYIN-JTQLQIEISA-N	-1	1	381.248	2.187	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nccs1	ZINC000610006678	651639907	/nfs/dbraw/zinc/63/99/07/651639907.db2.gz	XOIMIQWBTBROAF-SECBINFHSA-N	-1	1	385.423	2.252	20	5		GEBDMM
CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611376504	651722173	/nfs/dbraw/zinc/72/21/73/651722173.db2.gz	XIIPDOQTVYUYAF-JOYOIKCWSA-N	-1	1	393.259	2.451	20	5		GEBDMM
CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000611376502	651722329	/nfs/dbraw/zinc/72/23/29/651722329.db2.gz	XIIPDOQTVYUYAF-BXKDBHETSA-N	-1	1	393.259	2.451	20	5		GEBDMM
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000572736557	651909686	/nfs/dbraw/zinc/90/96/86/651909686.db2.gz	DBXORLLSUPSVRY-SVRRBLITSA-N	-1	1	383.209	2.433	20	5		GEBDMM
COc1ccc([C@@H](O)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000751221868	652332187	/nfs/dbraw/zinc/33/21/87/652332187.db2.gz	JLQPOGKMXSOKKJ-AWEZNQCLSA-N	-1	1	386.813	2.269	20	5		GEBDMM
COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751224983	652332569	/nfs/dbraw/zinc/33/25/69/652332569.db2.gz	WGUOSRKXPSNMEP-CYBMUJFWSA-N	-1	1	386.813	2.269	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1Cl	ZINC000751376678	652343527	/nfs/dbraw/zinc/34/35/27/652343527.db2.gz	MFNGOPDUUTXDSK-NSHDSACASA-N	-1	1	392.220	2.309	20	5		GEBDMM
CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@]12CCCO2	ZINC000759104583	652563096	/nfs/dbraw/zinc/56/30/96/652563096.db2.gz	NKQJKSDQDTYVRK-ZNMIVQPWSA-N	-1	1	390.845	2.253	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@@H]1CSc2ccccc2O1	ZINC000592069772	652583435	/nfs/dbraw/zinc/58/34/35/652583435.db2.gz	YHNOWCFXFHWTIW-LLVKDONJSA-N	-1	1	381.435	2.212	20	5		GEBDMM
CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000595391946	652719667	/nfs/dbraw/zinc/71/96/67/652719667.db2.gz	IJNFXXPZQZRGOF-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1	ZINC000765175377	652828502	/nfs/dbraw/zinc/82/85/02/652828502.db2.gz	SZSDIWDJOZJNRN-ZCFIWIBFSA-N	-1	1	391.203	2.088	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)on1	ZINC000765189298	652829961	/nfs/dbraw/zinc/82/99/61/652829961.db2.gz	JJUZGGDSOPBACV-UHFFFAOYSA-N	-1	1	390.215	2.386	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000768838946	653130025	/nfs/dbraw/zinc/13/00/25/653130025.db2.gz	YUGKPRVGJILPOD-LLVKDONJSA-N	-1	1	385.471	2.404	20	5		GEBDMM
COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])cc1OC	ZINC000768862477	653133258	/nfs/dbraw/zinc/13/32/58/653133258.db2.gz	XJFUQDCCRNMGDU-UHFFFAOYSA-N	-1	1	388.379	2.173	20	5		GEBDMM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1Cl	ZINC000768867043	653133785	/nfs/dbraw/zinc/13/37/85/653133785.db2.gz	XGRVLXXXDOKETD-UHFFFAOYSA-N	-1	1	380.773	2.025	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCOCC2)C1	ZINC000769438451	653157360	/nfs/dbraw/zinc/15/73/60/653157360.db2.gz	BKAROXPWCVMNHG-LBPRGKRZSA-N	-1	1	390.845	2.255	20	5		GEBDMM
Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809808048	653296824	/nfs/dbraw/zinc/29/68/24/653296824.db2.gz	XDBMNIRHWPFMPH-UHFFFAOYSA-N	-1	1	390.824	2.259	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC(F)(F)F	ZINC000809816347	653299563	/nfs/dbraw/zinc/29/95/63/653299563.db2.gz	GLVLDECFQQYAML-UHFFFAOYSA-N	-1	1	393.746	2.160	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1	ZINC000809821956	653302087	/nfs/dbraw/zinc/30/20/87/653302087.db2.gz	AWWUXOQYEYIQSJ-NSHDSACASA-N	-1	1	383.209	2.132	20	5		GEBDMM
COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809823877	653302831	/nfs/dbraw/zinc/30/28/31/653302831.db2.gz	VAIRNRQVMWCXGI-UHFFFAOYSA-N	-1	1	382.797	2.397	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)ncn1	ZINC000809828509	653304548	/nfs/dbraw/zinc/30/45/48/653304548.db2.gz	NNHPHQYRDIERHJ-UHFFFAOYSA-N	-1	1	377.209	2.479	20	5		GEBDMM
COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCCO1	ZINC000809839035	653307806	/nfs/dbraw/zinc/30/78/06/653307806.db2.gz	FGHANLVKMRFYOE-ZYHUDNBSSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000775547262	653316820	/nfs/dbraw/zinc/31/68/20/653316820.db2.gz	VJNGVHAALDANEX-SSDOTTSWSA-N	-1	1	399.180	2.029	20	5		GEBDMM
C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000778049917	653422582	/nfs/dbraw/zinc/42/25/82/653422582.db2.gz	UCGMNMUXUWRPAI-VIFPVBQESA-N	-1	1	379.460	2.238	20	5		GEBDMM
C[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])Cn1cccn1	ZINC000814991455	653642364	/nfs/dbraw/zinc/64/23/64/653642364.db2.gz	JFAHLUQFCVELKO-SECBINFHSA-N	-1	1	376.797	2.198	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CO)Cc1ccccc1	ZINC000815017136	653643974	/nfs/dbraw/zinc/64/39/74/653643974.db2.gz	VHNDKOZTBNRHLE-NSHDSACASA-N	-1	1	388.804	2.269	20	5		GEBDMM
CCc1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1	ZINC000841490578	653720443	/nfs/dbraw/zinc/72/04/43/653720443.db2.gz	YZYAXNSRZSOULN-UHFFFAOYSA-N	-1	1	378.332	2.378	20	5		GEBDMM
CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[nH]1	ZINC000841541166	653730023	/nfs/dbraw/zinc/73/00/23/653730023.db2.gz	WVQNFCGUYBATMV-UHFFFAOYSA-N	-1	1	391.812	2.281	20	5		GEBDMM
O=Cc1ccc(OCC(=O)Nc2nc(Br)ccc2[O-])c([N+](=O)[O-])c1	ZINC000790043988	653785723	/nfs/dbraw/zinc/78/57/23/653785723.db2.gz	XUUICVKGQNLLJG-UHFFFAOYSA-N	-1	1	396.153	2.288	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)cc1F	ZINC000866985434	653860207	/nfs/dbraw/zinc/86/02/07/653860207.db2.gz	HMHBKHDKKFKLML-IAQYHMDHSA-N	-1	1	390.458	2.375	20	5		GEBDMM
C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000846011531	653880183	/nfs/dbraw/zinc/88/01/83/653880183.db2.gz	ZSZPWTHQKNHARZ-VIFPVBQESA-N	-1	1	393.259	2.451	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cccc(F)c2-c2nnn[n-]2)s1	ZINC000826224134	653947904	/nfs/dbraw/zinc/94/79/04/653947904.db2.gz	PYPBATALIFTVCK-UHFFFAOYSA-N	-1	1	385.358	2.171	20	5		GEBDMM
CS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2cccc(F)c2-c2nn[n-]n2)s1	ZINC000826224134	653947910	/nfs/dbraw/zinc/94/79/10/653947910.db2.gz	PYPBATALIFTVCK-UHFFFAOYSA-N	-1	1	385.358	2.171	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(Cc3cccc(F)c3)n[nH]2)cs1	ZINC000795590369	653959871	/nfs/dbraw/zinc/95/98/71/653959871.db2.gz	HSXGTFIULNRULK-UHFFFAOYSA-N	-1	1	383.386	2.305	20	5		GEBDMM
CCC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795851827	653970469	/nfs/dbraw/zinc/97/04/69/653970469.db2.gz	HLFKFJYUEBQGCS-LBPRGKRZSA-N	-1	1	399.238	2.326	20	5		GEBDMM
C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCCO1	ZINC000795882299	653974816	/nfs/dbraw/zinc/97/48/16/653974816.db2.gz	SPNKZKCHZCQFQS-LBPRGKRZSA-N	-1	1	397.222	2.344	20	5		GEBDMM
COC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)OC	ZINC000849415210	654027520	/nfs/dbraw/zinc/02/75/20/654027520.db2.gz	JDRLNDLVDRLNEF-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
COC[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)OC	ZINC000849415750	654027827	/nfs/dbraw/zinc/02/78/27/654027827.db2.gz	UTHBSCUOZZNOJG-MRVPVSSYSA-N	-1	1	387.241	2.231	20	5		GEBDMM
CO[C@@H]1CCC[C@H]([C@@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000849423277	654030800	/nfs/dbraw/zinc/03/08/00/654030800.db2.gz	LIHBVCOEOHVADC-CYZMBNFOSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2C[C@H](O)C23CCC3)c(Cl)cc1Cl	ZINC000849471064	654044337	/nfs/dbraw/zinc/04/43/37/654044337.db2.gz	KGHWSTWDJFLKKD-RYUDHWBXSA-N	-1	1	381.237	2.483	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H](O)C23CCC3)c1Cl	ZINC000849471985	654044618	/nfs/dbraw/zinc/04/46/18/654044618.db2.gz	YNYNHDMRSUWHMV-ZJUUUORDSA-N	-1	1	381.237	2.483	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c1Cl	ZINC000831157964	654168018	/nfs/dbraw/zinc/16/80/18/654168018.db2.gz	AFVYDLLEWLFRJR-MRVPVSSYSA-N	-1	1	391.236	2.391	20	5		GEBDMM
C[C@H](CN(C)C(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000851874529	654196858	/nfs/dbraw/zinc/19/68/58/654196858.db2.gz	HLUANEJFBDBCMS-SECBINFHSA-N	-1	1	379.460	2.190	20	5		GEBDMM
Cc1cc(S(=O)(=O)[N-]CC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])s1	ZINC000921631057	654295575	/nfs/dbraw/zinc/29/55/75/654295575.db2.gz	ISEGEFSBUVTCLX-SECBINFHSA-N	-1	1	375.394	2.126	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](CO)CC1	ZINC000152275869	531541399	/nfs/dbraw/zinc/54/13/99/531541399.db2.gz	RRTRTJRMVNSGGM-JGZJWPJOSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1	ZINC000063879729	531863540	/nfs/dbraw/zinc/86/35/40/531863540.db2.gz	YDUPRRJEGQPFLD-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](O)C1	ZINC000121766627	532046495	/nfs/dbraw/zinc/04/64/95/532046495.db2.gz	XIAWRJGWUDSEAS-ONGXEEELSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1sc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000125519487	532137084	/nfs/dbraw/zinc/13/70/84/532137084.db2.gz	QPBFFIZFJJFZSD-VXGBXAGGSA-N	-1	1	391.515	2.132	20	5		GEBDMM
Cc1sc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000125519645	532137222	/nfs/dbraw/zinc/13/72/22/532137222.db2.gz	QPBFFIZFJJFZSD-RYUDHWBXSA-N	-1	1	391.515	2.132	20	5		GEBDMM
COC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC1	ZINC000180384134	532270513	/nfs/dbraw/zinc/27/05/13/532270513.db2.gz	AQNCBCUXIZMCRM-UHFFFAOYSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCOC[C@H]1CCCO1	ZINC000146581576	532298004	/nfs/dbraw/zinc/29/80/04/532298004.db2.gz	YWJBBDYNUWHGSP-LLVKDONJSA-N	-1	1	378.834	2.112	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2O1	ZINC000146448082	532298387	/nfs/dbraw/zinc/29/83/87/532298387.db2.gz	LQWLWEXQGWOCBQ-SNVBAGLBSA-N	-1	1	384.797	2.367	20	5		GEBDMM
CN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1	ZINC000465500078	532417418	/nfs/dbraw/zinc/41/74/18/532417418.db2.gz	YWXDVVYKINKFSS-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
CC(C)(CO)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000295342079	532435355	/nfs/dbraw/zinc/43/53/55/532435355.db2.gz	QVRIJRUNDNOQPG-UHFFFAOYSA-N	-1	1	381.248	2.044	20	5		GEBDMM
O=C(NCCNc1cccc(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193878307	532434702	/nfs/dbraw/zinc/43/47/02/532434702.db2.gz	YLKHMYZPFUGYHP-UHFFFAOYSA-N	-1	1	381.186	2.300	20	5		GEBDMM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000295692517	532469897	/nfs/dbraw/zinc/46/98/97/532469897.db2.gz	JIUUOLFCFZTEDY-QMMMGPOBSA-N	-1	1	399.238	2.326	20	5		GEBDMM
NC(=O)CSc1ccccc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000430072212	532488992	/nfs/dbraw/zinc/48/89/92/532488992.db2.gz	RBWIPKMZIWGACJ-UHFFFAOYSA-N	-1	1	381.435	2.114	20	5		GEBDMM
C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000230154046	532490760	/nfs/dbraw/zinc/49/07/60/532490760.db2.gz	HDBHJXUSHPWJEH-SECBINFHSA-N	-1	1	381.248	2.044	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(Br)cn1	ZINC000431623887	532519109	/nfs/dbraw/zinc/51/91/09/532519109.db2.gz	UKZGMORPLGVVTI-MRVPVSSYSA-N	-1	1	387.215	2.187	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])n1	ZINC000533175010	532662638	/nfs/dbraw/zinc/66/26/38/532662638.db2.gz	VXKSOXKDNLTIIR-NSHDSACASA-N	-1	1	386.817	2.267	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc1[N+](=O)[O-]	ZINC000477402991	532651081	/nfs/dbraw/zinc/65/10/81/532651081.db2.gz	RBKVLKAKBANBSB-UHFFFAOYSA-N	-1	1	382.419	2.034	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2CSC)c([N+](=O)[O-])n1	ZINC000532855128	532657754	/nfs/dbraw/zinc/65/77/54/532657754.db2.gz	UYSVKGGOFWRMKT-UHFFFAOYSA-N	-1	1	388.446	2.292	20	5		GEBDMM
O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1	ZINC000599903685	532669643	/nfs/dbraw/zinc/66/96/43/532669643.db2.gz	NWROTOMBTADHBT-UHFFFAOYSA-N	-1	1	397.185	2.466	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1CCOCC1	ZINC000285334800	532671466	/nfs/dbraw/zinc/67/14/66/532671466.db2.gz	XWMJZUVUVFWURO-UHFFFAOYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC1CC1	ZINC000582790169	532761997	/nfs/dbraw/zinc/76/19/97/532761997.db2.gz	KRRYJRWIUICNPM-SNVBAGLBSA-N	-1	1	376.818	2.116	20	5		GEBDMM
O=C(NCc1cc(Br)cc2c1OCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445219628	532752080	/nfs/dbraw/zinc/75/20/80/532752080.db2.gz	YCAOFSASLKONBL-UHFFFAOYSA-N	-1	1	394.181	2.323	20	5		GEBDMM
CCc1nnc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1	ZINC000451596748	532765600	/nfs/dbraw/zinc/76/56/00/532765600.db2.gz	LTWVINDPCKDORJ-UHFFFAOYSA-N	-1	1	380.213	2.061	20	5		GEBDMM
CCC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])OC	ZINC000451637638	532769286	/nfs/dbraw/zinc/76/92/86/532769286.db2.gz	DWKIRKMTTSEUAQ-SNVBAGLBSA-N	-1	1	381.248	2.451	20	5		GEBDMM
C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1	ZINC000271197330	532804620	/nfs/dbraw/zinc/80/46/20/532804620.db2.gz	AUEWANYFFLOBJI-WPRPVWTQSA-N	-1	1	379.232	2.203	20	5		GEBDMM
COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000274204854	532843861	/nfs/dbraw/zinc/84/38/61/532843861.db2.gz	OZCLTTZXHXHJDJ-QMMMGPOBSA-N	-1	1	390.723	2.021	20	5		GEBDMM
Cc1c(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1C	ZINC000416444157	532877556	/nfs/dbraw/zinc/87/75/56/532877556.db2.gz	XNJGVVSZHVVDQN-UHFFFAOYSA-N	-1	1	378.332	2.134	20	5		GEBDMM
CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000290717446	532887669	/nfs/dbraw/zinc/88/76/69/532887669.db2.gz	JZFRMQZGJKZFIY-QFIPXVFZSA-N	-1	1	386.854	2.213	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1	ZINC000361178582	532892581	/nfs/dbraw/zinc/89/25/81/532892581.db2.gz	FKNLTAIJCITIMV-ZWNOBZJWSA-N	-1	1	391.243	2.203	20	5		GEBDMM
CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1	ZINC000290822307	532890642	/nfs/dbraw/zinc/89/06/42/532890642.db2.gz	TXXWBOISELGURQ-LURJTMIESA-N	-1	1	377.785	2.107	20	5		GEBDMM
CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000290822307	532890645	/nfs/dbraw/zinc/89/06/45/532890645.db2.gz	TXXWBOISELGURQ-LURJTMIESA-N	-1	1	377.785	2.107	20	5		GEBDMM
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1	ZINC000737225923	598947752	/nfs/dbraw/zinc/94/77/52/598947752.db2.gz	VSHAXZVVNVDSQB-UHFFFAOYSA-N	-1	1	378.345	2.023	20	5		GEBDMM
C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCC(=O)[O-]	ZINC000817744357	596997227	/nfs/dbraw/zinc/99/72/27/596997227.db2.gz	YWHFRNOCFZYYOT-JTQLQIEISA-N	-1	1	378.410	2.452	20	5		GEBDMM
CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)c1	ZINC000825845080	607451651	/nfs/dbraw/zinc/45/16/51/607451651.db2.gz	APPXFARGQFVJJS-UHFFFAOYSA-N	-1	1	381.396	2.131	20	5		GEBDMM
CN(C)C(=O)c1cccc(CCNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)c1	ZINC000825845080	607451653	/nfs/dbraw/zinc/45/16/53/607451653.db2.gz	APPXFARGQFVJJS-UHFFFAOYSA-N	-1	1	381.396	2.131	20	5		GEBDMM
O=C([O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F	ZINC000548521736	601811298	/nfs/dbraw/zinc/81/12/98/601811298.db2.gz	ZBSTXRDFBXOUNW-LBPRGKRZSA-N	-1	1	388.760	2.492	20	5		GEBDMM
Cc1cc(NCc2cccnc2N2CCN(C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-]	ZINC000566858006	602314159	/nfs/dbraw/zinc/31/41/59/602314159.db2.gz	IQIQTBPZDIHPNA-UHFFFAOYSA-N	-1	1	385.424	2.360	20	5		GEBDMM
CC(C)CCC[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824242712	607573038	/nfs/dbraw/zinc/57/30/38/607573038.db2.gz	AMZYQCRIVWOUJS-LLVKDONJSA-N	-1	1	382.446	2.268	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(F)c(Cl)c2)c1-c1nn[n-]n1	ZINC000826500314	607574716	/nfs/dbraw/zinc/57/47/16/607574716.db2.gz	TVEQRXOZOBHIRI-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000826498268	607600036	/nfs/dbraw/zinc/60/00/36/607600036.db2.gz	NTQSKZXWROVVQD-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826498268	607600037	/nfs/dbraw/zinc/60/00/37/607600037.db2.gz	NTQSKZXWROVVQD-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)C1	ZINC000824925260	607616507	/nfs/dbraw/zinc/61/65/07/607616507.db2.gz	CHYRSPUCMDGSEG-VXGBXAGGSA-N	-1	1	394.457	2.270	20	5		GEBDMM
Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000826294951	607717631	/nfs/dbraw/zinc/71/76/31/607717631.db2.gz	KOCQRRVMWNTNAM-UHFFFAOYSA-N	-1	1	397.782	2.495	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417020	604857333	/nfs/dbraw/zinc/85/73/33/604857333.db2.gz	KFFMUKROBDJLPW-DOMZBBRYSA-N	-1	1	389.408	2.050	20	5		GEBDMM
CC(C)(C(=O)[O-])[C@H]1CCCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000833417027	604857643	/nfs/dbraw/zinc/85/76/43/604857643.db2.gz	KFFMUKROBDJLPW-WFASDCNBSA-N	-1	1	389.408	2.050	20	5		GEBDMM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833733053	605330546	/nfs/dbraw/zinc/33/05/46/605330546.db2.gz	ASIMNJHUNFBFNN-UHFFFAOYSA-N	-1	1	397.321	2.011	20	5		GEBDMM
O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000823294889	606195464	/nfs/dbraw/zinc/19/54/64/606195464.db2.gz	WLYCHFAJDZYYLF-UHFFFAOYSA-N	-1	1	395.379	2.333	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1nnn[n-]1	ZINC000822530546	606237125	/nfs/dbraw/zinc/23/71/25/606237125.db2.gz	GTFXJYSMHHRPIT-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1nn[n-]n1	ZINC000822530546	606237126	/nfs/dbraw/zinc/23/71/26/606237126.db2.gz	GTFXJYSMHHRPIT-UHFFFAOYSA-N	-1	1	379.789	2.470	20	5		GEBDMM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1	ZINC000820557442	606648788	/nfs/dbraw/zinc/64/87/88/606648788.db2.gz	ZHENBONSWDAIPT-SNVBAGLBSA-N	-1	1	386.393	2.394	20	5		GEBDMM
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1	ZINC000820557442	606648789	/nfs/dbraw/zinc/64/87/89/606648789.db2.gz	ZHENBONSWDAIPT-SNVBAGLBSA-N	-1	1	386.393	2.394	20	5		GEBDMM
COc1ccc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c([N+](=O)[O-])c1	ZINC000821831516	606666449	/nfs/dbraw/zinc/66/64/49/606666449.db2.gz	BXQVRBLWMUKUJD-UHFFFAOYSA-N	-1	1	376.279	2.314	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccccc1C(F)(F)F	ZINC000823620914	606704280	/nfs/dbraw/zinc/70/42/80/606704280.db2.gz	SOEKYGPSISYTRO-NSHDSACASA-N	-1	1	395.301	2.334	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccccc1C(F)(F)F	ZINC000823620914	606704281	/nfs/dbraw/zinc/70/42/81/606704281.db2.gz	SOEKYGPSISYTRO-NSHDSACASA-N	-1	1	395.301	2.334	20	5		GEBDMM
CCc1ccc(N2CCN(c3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])CC2)cc1	ZINC000821487807	606713262	/nfs/dbraw/zinc/71/32/62/606713262.db2.gz	XZJWXFSZLYIFQF-UHFFFAOYSA-N	-1	1	380.412	2.059	20	5		GEBDMM
CCc1ccc(N2CCN(c3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])CC2)cc1	ZINC000821487807	606713263	/nfs/dbraw/zinc/71/32/63/606713263.db2.gz	XZJWXFSZLYIFQF-UHFFFAOYSA-N	-1	1	380.412	2.059	20	5		GEBDMM
CN(Cc1nc(C(F)(F)F)cs1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000821616710	606715474	/nfs/dbraw/zinc/71/54/74/606715474.db2.gz	DCXITYLNVQBRIS-UHFFFAOYSA-N	-1	1	386.319	2.282	20	5		GEBDMM
CN(Cc1nc(C(F)(F)F)cs1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000821616710	606715475	/nfs/dbraw/zinc/71/54/75/606715475.db2.gz	DCXITYLNVQBRIS-UHFFFAOYSA-N	-1	1	386.319	2.282	20	5		GEBDMM
CN(CCC1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821599223	606732774	/nfs/dbraw/zinc/73/27/74/606732774.db2.gz	KWLDIMFLWQZXSP-UHFFFAOYSA-N	-1	1	394.457	2.366	20	5		GEBDMM
CCC[C@H](C)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821014439	607144276	/nfs/dbraw/zinc/14/42/76/607144276.db2.gz	HEOWXCGWKVQKDT-RYUDHWBXSA-N	-1	1	394.457	2.364	20	5		GEBDMM
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)c2ccccc21	ZINC000820767640	607153406	/nfs/dbraw/zinc/15/34/06/607153406.db2.gz	JDAXQBOGPQSSGB-JTQLQIEISA-N	-1	1	386.393	2.087	20	5		GEBDMM
CCN(c1ccccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821242625	607154833	/nfs/dbraw/zinc/15/48/33/607154833.db2.gz	VPYITOXCYGTOJS-UHFFFAOYSA-N	-1	1	392.372	2.129	20	5		GEBDMM
O=C(Nc1ccccc1)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000823366949	607165347	/nfs/dbraw/zinc/16/53/47/607165347.db2.gz	AVCWYHLGEQJZFL-UHFFFAOYSA-N	-1	1	394.395	2.025	20	5		GEBDMM
O=C(Nc1ccccc1)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000823366949	607165348	/nfs/dbraw/zinc/16/53/48/607165348.db2.gz	AVCWYHLGEQJZFL-UHFFFAOYSA-N	-1	1	394.395	2.025	20	5		GEBDMM
CC(C)NC(=O)Nc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000820137636	607168255	/nfs/dbraw/zinc/16/82/55/607168255.db2.gz	MUMAZFANFYPQKV-UHFFFAOYSA-N	-1	1	397.399	2.312	20	5		GEBDMM
CC(C)NC(=O)Nc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000820137636	607168256	/nfs/dbraw/zinc/16/82/56/607168256.db2.gz	MUMAZFANFYPQKV-UHFFFAOYSA-N	-1	1	397.399	2.312	20	5		GEBDMM
CCCN(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000825313816	607820582	/nfs/dbraw/zinc/82/05/82/607820582.db2.gz	SBJOCEZLFLSWRE-UHFFFAOYSA-N	-1	1	392.420	2.229	20	5		GEBDMM
CCCN(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000825313816	607820583	/nfs/dbraw/zinc/82/05/83/607820583.db2.gz	SBJOCEZLFLSWRE-UHFFFAOYSA-N	-1	1	392.420	2.229	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1C	ZINC000826272249	607867643	/nfs/dbraw/zinc/86/76/43/607867643.db2.gz	AGFQRPBTRRSVNF-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1C	ZINC000826272249	607867644	/nfs/dbraw/zinc/86/76/44/607867644.db2.gz	AGFQRPBTRRSVNF-UHFFFAOYSA-N	-1	1	393.356	2.299	20	5		GEBDMM
COc1ccccc1OC[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-]	ZINC000826220637	608124404	/nfs/dbraw/zinc/12/44/04/608124404.db2.gz	UQJOCDKAPLRCFJ-LLVKDONJSA-N	-1	1	385.384	2.306	20	5		GEBDMM
COc1ccccc1OC[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000826220637	608124405	/nfs/dbraw/zinc/12/44/05/608124405.db2.gz	UQJOCDKAPLRCFJ-LLVKDONJSA-N	-1	1	385.384	2.306	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(C)cc1	ZINC000500469740	650378253	/nfs/dbraw/zinc/37/82/53/650378253.db2.gz	LLRKJDUILNHZAM-LBPRGKRZSA-N	-1	1	384.435	2.200	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(F)c1	ZINC000508029175	650472624	/nfs/dbraw/zinc/47/26/24/650472624.db2.gz	PKDQQQUBVLJREO-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
Cc1ncsc1[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000530338602	650721791	/nfs/dbraw/zinc/72/17/91/650721791.db2.gz	LTHBOYBWHRJVBC-SECBINFHSA-N	-1	1	391.814	2.117	20	5		GEBDMM
COc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000533094450	650757078	/nfs/dbraw/zinc/75/70/78/650757078.db2.gz	GEWDBXUGJHGERD-GFCCVEGCSA-N	-1	1	386.813	2.269	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c([N+](=O)[O-])n1	ZINC000533631698	650763885	/nfs/dbraw/zinc/76/38/85/650763885.db2.gz	BNIFGHZYYKPGNN-UHFFFAOYSA-N	-1	1	383.411	2.006	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c([N+](=O)[O-])n1	ZINC000533635161	650764063	/nfs/dbraw/zinc/76/40/63/650764063.db2.gz	MZNIQKOIJKYGTR-CYBMUJFWSA-N	-1	1	382.467	2.120	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cn2ccccc2n1	ZINC000101570046	643108854	/nfs/dbraw/zinc/10/88/54/643108854.db2.gz	TYFJAOUSIVCSSW-UHFFFAOYSA-N	-1	1	380.813	2.417	20	5		GEBDMM
O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCN1c1ccccc1	ZINC000114500402	643420426	/nfs/dbraw/zinc/42/04/26/643420426.db2.gz	YKCAJZGOCLQETC-GFCCVEGCSA-N	-1	1	381.435	2.130	20	5		GEBDMM
O=C(C1CCCCC1)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000126392067	643731412	/nfs/dbraw/zinc/73/14/12/643731412.db2.gz	OIMIKOSOYFVFQN-LBPRGKRZSA-N	-1	1	387.483	2.116	20	5		GEBDMM
O=C(C1CCCCC1)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000126391835	643731436	/nfs/dbraw/zinc/73/14/36/643731436.db2.gz	OIMIKOSOYFVFQN-GFCCVEGCSA-N	-1	1	387.483	2.116	20	5		GEBDMM
C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOC1	ZINC000500097684	650896551	/nfs/dbraw/zinc/89/65/51/650896551.db2.gz	KANFMEVLKFNMGQ-GFCCVEGCSA-N	-1	1	379.232	2.062	20	5		GEBDMM
CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000178772678	644439125	/nfs/dbraw/zinc/43/91/25/644439125.db2.gz	CPWYLTIUZNBDRP-JTQLQIEISA-N	-1	1	395.275	2.433	20	5		GEBDMM
CCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)c1nn[n-]n1	ZINC000268216258	645954406	/nfs/dbraw/zinc/95/44/06/645954406.db2.gz	POICBAUBBPZWRM-QMMMGPOBSA-N	-1	1	387.169	2.281	20	5		GEBDMM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F	ZINC000416452196	648128576	/nfs/dbraw/zinc/12/85/76/648128576.db2.gz	BNKHHCKEFFFGFT-VIFPVBQESA-N	-1	1	396.265	2.205	20	5		GEBDMM
CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443302087	648870968	/nfs/dbraw/zinc/87/09/68/648870968.db2.gz	OHFRBMDUZZQOTF-ZANVPECISA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCOCC1CC1	ZINC000609030321	651608527	/nfs/dbraw/zinc/60/85/27/651608527.db2.gz	SCRPIFCLFMFYOZ-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@H](OC)c2ccccc2Cl)c([N+](=O)[O-])n1	ZINC000611107302	651707345	/nfs/dbraw/zinc/70/73/45/651707345.db2.gz	GWRXUOJLGTYJSZ-LBPRGKRZSA-N	-1	1	388.833	2.131	20	5		GEBDMM
C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000612146134	651746983	/nfs/dbraw/zinc/74/69/83/651746983.db2.gz	RXODASHYGLOQSL-PRHODGIISA-N	-1	1	379.232	2.203	20	5		GEBDMM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F	ZINC000614856857	651841368	/nfs/dbraw/zinc/84/13/68/651841368.db2.gz	PPHQKXMIWXKIIU-UHFFFAOYSA-N	-1	1	384.332	2.391	20	5		GEBDMM
CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1	ZINC000741260432	651943272	/nfs/dbraw/zinc/94/32/72/651943272.db2.gz	UTVRTGHRDKDCJJ-JTQLQIEISA-N	-1	1	391.471	2.238	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F	ZINC000746664466	652120221	/nfs/dbraw/zinc/12/02/21/652120221.db2.gz	HBQVDIKWSFOIOI-VIFPVBQESA-N	-1	1	396.265	2.469	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000751376677	652343695	/nfs/dbraw/zinc/34/36/95/652343695.db2.gz	MFNGOPDUUTXDSK-LLVKDONJSA-N	-1	1	392.220	2.309	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(O)Cc2ccccc2C1	ZINC000751430519	652348792	/nfs/dbraw/zinc/34/87/92/652348792.db2.gz	SGRVMYULXTXRIG-UHFFFAOYSA-N	-1	1	382.825	2.056	20	5		GEBDMM
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757744766	652521675	/nfs/dbraw/zinc/52/16/75/652521675.db2.gz	LJULSUQZCPOTRL-MRVPVSSYSA-N	-1	1	399.238	2.182	20	5		GEBDMM
Cc1cc(C(F)(F)F)ccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000599287991	652859557	/nfs/dbraw/zinc/85/95/57/652859557.db2.gz	NCNHPAYOFYJHOO-UHFFFAOYSA-N	-1	1	378.332	2.134	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)cc1Cl	ZINC000809819066	653300698	/nfs/dbraw/zinc/30/06/98/653300698.db2.gz	VOMLDWGYDBPNGU-NSHDSACASA-N	-1	1	388.804	2.269	20	5		GEBDMM
Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)o1	ZINC000809821835	653302070	/nfs/dbraw/zinc/30/20/70/653302070.db2.gz	SMWWXKCEJFZVDC-LLVKDONJSA-N	-1	1	378.765	2.301	20	5		GEBDMM
CC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000809823607	653302539	/nfs/dbraw/zinc/30/25/39/653302539.db2.gz	QEHVJSDFNXXFKF-CYBMUJFWSA-N	-1	1	382.797	2.397	20	5		GEBDMM
C[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[S@@](C)=O	ZINC000809827254	653303885	/nfs/dbraw/zinc/30/38/85/653303885.db2.gz	IBDHXNCZNGWNAH-MWAODPMSSA-N	-1	1	389.282	2.337	20	5		GEBDMM
CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000809830753	653305369	/nfs/dbraw/zinc/30/53/69/653305369.db2.gz	CMBJHRFTOIQLJD-CMPLNLGQSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])OC	ZINC000810110867	653325801	/nfs/dbraw/zinc/32/58/01/653325801.db2.gz	ZWVVGMRNVJDDDZ-ZETCQYMHSA-N	-1	1	385.211	2.200	20	5		GEBDMM
CCOC(=O)N1CCC[C@H]([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000776788622	653377440	/nfs/dbraw/zinc/37/74/40/653377440.db2.gz	CMFRRNIRGMIPLW-QWRGUYRKSA-N	-1	1	391.471	2.192	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCN1CC(F)F	ZINC000859293635	653436100	/nfs/dbraw/zinc/43/61/00/653436100.db2.gz	JPUOUXDAHXFRAJ-SNVBAGLBSA-N	-1	1	383.804	2.256	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCCC1	ZINC000814985322	653641870	/nfs/dbraw/zinc/64/18/70/653641870.db2.gz	BMVHYWMPUKGRKD-UHFFFAOYSA-N	-1	1	380.781	2.151	20	5		GEBDMM
Cn1cc(CCC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cn1	ZINC000815010884	653643060	/nfs/dbraw/zinc/64/30/60/653643060.db2.gz	RIUHAMPYBQWCJB-UHFFFAOYSA-N	-1	1	376.797	2.032	20	5		GEBDMM
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)C	ZINC000815012679	653643448	/nfs/dbraw/zinc/64/34/48/653643448.db2.gz	GEQJPOCNUKERAB-LLVKDONJSA-N	-1	1	382.797	2.253	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC1(C)OCCO1	ZINC000815019811	653644406	/nfs/dbraw/zinc/64/44/06/653644406.db2.gz	OBLDQIIYAMRBRY-SECBINFHSA-N	-1	1	396.824	2.455	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1noc(C2CC2)n1	ZINC000815028564	653645855	/nfs/dbraw/zinc/64/58/55/653645855.db2.gz	BVGCSBQTADZZNW-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(=O)OC	ZINC000815034317	653646494	/nfs/dbraw/zinc/64/64/94/653646494.db2.gz	KSPCGBQAJIKMDL-JTQLQIEISA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H](CCO)c1ccco1	ZINC000815033879	653646508	/nfs/dbraw/zinc/64/65/08/653646508.db2.gz	WLXWIEWTJUXHKO-SNVBAGLBSA-N	-1	1	378.765	2.382	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1	ZINC000815036431	653646808	/nfs/dbraw/zinc/64/68/08/653646808.db2.gz	KZLXKEJOIWNXNH-UHFFFAOYSA-N	-1	1	376.753	2.126	20	5		GEBDMM
COc1cc(OCC(=O)Nc2nc(Br)ccc2[O-])ccc1[N+](=O)[O-]	ZINC000783901551	653686340	/nfs/dbraw/zinc/68/63/40/653686340.db2.gz	RSKOVWJQOSGLBJ-UHFFFAOYSA-N	-1	1	398.169	2.484	20	5		GEBDMM
CC(C)c1nncn1CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000840950214	653703219	/nfs/dbraw/zinc/70/32/19/653703219.db2.gz	HAVDMIZTPHGNPG-UHFFFAOYSA-N	-1	1	391.812	2.081	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F	ZINC000841487546	653720116	/nfs/dbraw/zinc/72/01/16/653720116.db2.gz	XBWOFKMLWQWYNM-VIFPVBQESA-N	-1	1	396.265	2.469	20	5		GEBDMM
CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1	ZINC000788689432	653763321	/nfs/dbraw/zinc/76/33/21/653763321.db2.gz	RCHMINVDNGXCKZ-UHFFFAOYSA-N	-1	1	384.801	2.080	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccnc1-2	ZINC000791286491	653807695	/nfs/dbraw/zinc/80/76/95/653807695.db2.gz	OKWWTRXJXPYKMS-UHFFFAOYSA-N	-1	1	390.197	2.194	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)NC(C)(C)C	ZINC000791423486	653813355	/nfs/dbraw/zinc/81/33/55/653813355.db2.gz	PZTDWPDMNFEBOG-ZETCQYMHSA-N	-1	1	398.268	2.483	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCSC3)C2)cc1F	ZINC000866985433	653860242	/nfs/dbraw/zinc/86/02/42/653860242.db2.gz	HMHBKHDKKFKLML-ABAIWWIYSA-N	-1	1	390.458	2.375	20	5		GEBDMM
COC(=O)[C@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)CC1CC1	ZINC000845991368	653877954	/nfs/dbraw/zinc/87/79/54/653877954.db2.gz	HBFASPADUXHVIM-VIFPVBQESA-N	-1	1	394.808	2.255	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCN(CC(F)(F)F)C1	ZINC000867344127	653918812	/nfs/dbraw/zinc/91/88/12/653918812.db2.gz	RUKXDUOHWUOMKZ-VIFPVBQESA-N	-1	1	385.339	2.039	20	5		GEBDMM
CO[C@H](C)CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795815087	653968006	/nfs/dbraw/zinc/96/80/06/653968006.db2.gz	KSJBJSOSSLOFBT-SSDOTTSWSA-N	-1	1	385.211	2.200	20	5		GEBDMM
C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795926998	653977949	/nfs/dbraw/zinc/97/79/49/653977949.db2.gz	ADAXHLWAANFJAL-SGJFDWMWSA-N	-1	1	397.222	2.102	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(OC)OC	ZINC000849406646	654025180	/nfs/dbraw/zinc/02/51/80/654025180.db2.gz	MAXNYSSKEXGJEQ-VIFPVBQESA-N	-1	1	397.247	2.033	20	5		GEBDMM
CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1	ZINC000849414541	654027093	/nfs/dbraw/zinc/02/70/93/654027093.db2.gz	KIPRQGXHTMQCGH-QPUJVOFHSA-N	-1	1	399.252	2.231	20	5		GEBDMM
C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c2ncnn21	ZINC000849424693	654031491	/nfs/dbraw/zinc/03/14/91/654031491.db2.gz	YEBPPYJNMPTSGA-MUWHJKNJSA-N	-1	1	392.224	2.477	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Cn1cccn1	ZINC000798225648	654055120	/nfs/dbraw/zinc/05/51/20/654055120.db2.gz	FMAJFEPWRADZMK-VIFPVBQESA-N	-1	1	376.797	2.198	20	5		GEBDMM
COC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCOCC1	ZINC000830923708	654149990	/nfs/dbraw/zinc/14/99/90/654149990.db2.gz	IVOIZXGRYHFORG-UHFFFAOYSA-N	-1	1	399.252	2.376	20	5		GEBDMM
CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000831101924	654164541	/nfs/dbraw/zinc/16/45/41/654164541.db2.gz	QLJRDQAJARCCND-KOLCDFICSA-N	-1	1	399.252	2.374	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1nccn1C	ZINC000851856256	654192474	/nfs/dbraw/zinc/19/24/74/654192474.db2.gz	MAVIFQDPIQRVBY-QMMMGPOBSA-N	-1	1	389.231	2.130	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])ccc3Br)ccnc1-2	ZINC000801703151	654204330	/nfs/dbraw/zinc/20/43/30/654204330.db2.gz	CVEYRLQYOJOLFC-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC1=CCOCC1	ZINC000831829360	654212539	/nfs/dbraw/zinc/21/25/39/654212539.db2.gz	IJLPGXBZLASZQX-UHFFFAOYSA-N	-1	1	395.206	2.121	20	5		GEBDMM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000832241976	654252157	/nfs/dbraw/zinc/25/21/57/654252157.db2.gz	MEVKFOGGWWEFSQ-KCJUWKMLSA-N	-1	1	394.808	2.397	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1COC[C@@H]1C1CC1	ZINC000908408476	654627125	/nfs/dbraw/zinc/62/71/25/654627125.db2.gz	HRUBVAZJGLZQSM-MNOVXSKESA-N	-1	1	391.243	2.061	20	5		GEBDMM
O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000007907889	531543639	/nfs/dbraw/zinc/54/36/39/531543639.db2.gz	LKTVMUDVENKQFT-UHFFFAOYSA-N	-1	1	375.328	2.403	20	5		GEBDMM
COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000153037419	531585374	/nfs/dbraw/zinc/58/53/74/531585374.db2.gz	VVPWOIJFXFUDOQ-LLVKDONJSA-N	-1	1	383.451	2.222	20	5		GEBDMM
CC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000158333087	531775178	/nfs/dbraw/zinc/77/51/78/531775178.db2.gz	NEKUGSQPBMCIBJ-VIFPVBQESA-N	-1	1	381.248	2.044	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2c[nH]c3ccccc23)s1	ZINC000161255323	531830868	/nfs/dbraw/zinc/83/08/68/531830868.db2.gz	IZUHTNUUYHYQDT-LLVKDONJSA-N	-1	1	381.435	2.020	20	5		GEBDMM
CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1	ZINC000067298162	531881430	/nfs/dbraw/zinc/88/14/30/531881430.db2.gz	VFIWOIWYZBMPMX-UHFFFAOYSA-N	-1	1	384.439	2.445	20	5		GEBDMM
C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000120745348	531993065	/nfs/dbraw/zinc/99/30/65/531993065.db2.gz	GFPIYBAYQCBNIH-RKDXNWHRSA-N	-1	1	381.248	2.043	20	5		GEBDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)N1c1ccccc1	ZINC000173682564	532026875	/nfs/dbraw/zinc/02/68/75/532026875.db2.gz	JHJYFNHBPKHJPJ-JQWIXIFHSA-N	-1	1	381.435	2.129	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)o2)s1	ZINC000122637611	532077060	/nfs/dbraw/zinc/07/70/60/532077060.db2.gz	ZJWYYKGQPGZLCC-UHFFFAOYSA-N	-1	1	380.407	2.227	20	5		GEBDMM
CCC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)c1nn[n-]n1	ZINC000133427248	532234274	/nfs/dbraw/zinc/23/42/74/532234274.db2.gz	BXAISVPZQDUWRO-JTQLQIEISA-N	-1	1	383.206	2.450	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1	ZINC000146729421	532299043	/nfs/dbraw/zinc/29/90/43/532299043.db2.gz	NIDLBYDOKSHWGP-SDDRHHMPSA-N	-1	1	391.877	2.024	20	5		GEBDMM
C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000182807741	532317934	/nfs/dbraw/zinc/31/79/34/532317934.db2.gz	YVYJWPVYKVAHIS-SECBINFHSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl	ZINC000516910316	532396263	/nfs/dbraw/zinc/39/62/63/532396263.db2.gz	VXECAFWCWNAHFH-JTQLQIEISA-N	-1	1	392.220	2.309	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C	ZINC000466877518	532437038	/nfs/dbraw/zinc/43/70/38/532437038.db2.gz	MMLBOTWOMSRHTD-NSHDSACASA-N	-1	1	381.248	2.307	20	5		GEBDMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2c(Br)cccc2C1	ZINC000373417203	532448804	/nfs/dbraw/zinc/44/88/04/532448804.db2.gz	LAOQQUMDERYYOH-UHFFFAOYSA-N	-1	1	394.181	2.493	20	5		GEBDMM
C[C@@H](CCCCO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000295656766	532467735	/nfs/dbraw/zinc/46/77/35/532467735.db2.gz	FWPNIEAQHMEIGN-VIFPVBQESA-N	-1	1	381.248	2.187	20	5		GEBDMM
C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000219870802	532483548	/nfs/dbraw/zinc/48/35/48/532483548.db2.gz	DLLKYCYFYMDFBL-WCBMZHEXSA-N	-1	1	379.232	2.203	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1	ZINC000296193437	532504097	/nfs/dbraw/zinc/50/40/97/532504097.db2.gz	LTFCJFOJXZPESD-ONGXEEELSA-N	-1	1	399.252	2.374	20	5		GEBDMM
CO[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F	ZINC000469321458	532501006	/nfs/dbraw/zinc/50/10/06/532501006.db2.gz	JSKZKHXBYUJUJO-JTQLQIEISA-N	-1	1	376.740	2.494	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1	ZINC000532855198	532657964	/nfs/dbraw/zinc/65/79/64/532657964.db2.gz	QSDGOMZULSJZAE-NXEZZACHSA-N	-1	1	384.380	2.458	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])n1	ZINC000532853858	532658087	/nfs/dbraw/zinc/65/80/87/532658087.db2.gz	CSFRXTUZUNNEHP-NSHDSACASA-N	-1	1	386.430	2.466	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F	ZINC000599373351	532658762	/nfs/dbraw/zinc/65/87/62/532658762.db2.gz	VOXOTSKBACJSLL-LBPRGKRZSA-N	-1	1	378.332	2.014	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000286041890	532725948	/nfs/dbraw/zinc/72/59/48/532725948.db2.gz	QMXLWSKFICJUSR-SFYZADRCSA-N	-1	1	397.222	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCC1CCOCC1	ZINC000512211698	532777106	/nfs/dbraw/zinc/77/71/06/532777106.db2.gz	HWDMCEBWCOOZMA-UHFFFAOYSA-N	-1	1	393.259	2.452	20	5		GEBDMM
CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000452036119	532771113	/nfs/dbraw/zinc/77/11/13/532771113.db2.gz	ZOPPCRYCHRZXHB-UHFFFAOYSA-N	-1	1	395.275	2.433	20	5		GEBDMM
CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1	ZINC000289670305	532862669	/nfs/dbraw/zinc/86/26/69/532862669.db2.gz	WMRWWFFDFOYKSB-UHFFFAOYSA-N	-1	1	376.847	2.449	20	5		GEBDMM
CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[nH]1	ZINC000290822315	532890599	/nfs/dbraw/zinc/89/05/99/532890599.db2.gz	TXXWBOISELGURQ-ZCFIWIBFSA-N	-1	1	377.785	2.107	20	5		GEBDMM
CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1	ZINC000290822315	532890601	/nfs/dbraw/zinc/89/06/01/532890601.db2.gz	TXXWBOISELGURQ-ZCFIWIBFSA-N	-1	1	377.785	2.107	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1CNc1c2ccccc2nnc1-c1nnn[n-]1	ZINC000737116848	598962433	/nfs/dbraw/zinc/96/24/33/598962433.db2.gz	SAIFEPQKRCHJQH-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
COc1ccc([N+](=O)[O-])cc1CNc1c2ccccc2nnc1-c1nn[n-]n1	ZINC000737116848	598962434	/nfs/dbraw/zinc/96/24/34/598962434.db2.gz	SAIFEPQKRCHJQH-UHFFFAOYSA-N	-1	1	378.352	2.339	20	5		GEBDMM
C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N(C)CCC(=O)[O-]	ZINC000817744358	596997596	/nfs/dbraw/zinc/99/75/96/596997596.db2.gz	YWHFRNOCFZYYOT-SNVBAGLBSA-N	-1	1	378.410	2.452	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1	ZINC000738366589	598685887	/nfs/dbraw/zinc/68/58/87/598685887.db2.gz	FODQXYXWYBDQGE-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000431981068	599851723	/nfs/dbraw/zinc/85/17/23/599851723.db2.gz	LZVUYVQOLWWGTI-UHFFFAOYSA-N	-1	1	390.302	2.476	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCCc2csc(N3CCCC3)n2)cc1-c1nnn[n-]1	ZINC000826498560	607452454	/nfs/dbraw/zinc/45/24/54/607452454.db2.gz	ALPZSBCDOQWQSF-UHFFFAOYSA-N	-1	1	386.441	2.486	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCCc2csc(N3CCCC3)n2)cc1-c1nn[n-]n1	ZINC000826498560	607452456	/nfs/dbraw/zinc/45/24/56/607452456.db2.gz	ALPZSBCDOQWQSF-UHFFFAOYSA-N	-1	1	386.441	2.486	20	5		GEBDMM
O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000833169139	601388877	/nfs/dbraw/zinc/38/88/77/601388877.db2.gz	GMSBROCNXFUXOO-LBPRGKRZSA-N	-1	1	388.760	2.492	20	5		GEBDMM
O=C([O-])NCCc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1	ZINC000740672394	601997481	/nfs/dbraw/zinc/99/74/81/601997481.db2.gz	BJPUJCKLDCGQBS-UHFFFAOYSA-N	-1	1	397.384	2.023	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ncccc1C(F)(F)F	ZINC000826497725	607564077	/nfs/dbraw/zinc/56/40/77/607564077.db2.gz	RUGNFBHXAOQIIR-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ncccc1C(F)(F)F	ZINC000826497725	607564079	/nfs/dbraw/zinc/56/40/79/607564079.db2.gz	RUGNFBHXAOQIIR-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCNC(=O)[O-])c1	ZINC000740159927	602447896	/nfs/dbraw/zinc/44/78/96/602447896.db2.gz	POINMHPGMKQMPF-UHFFFAOYSA-N	-1	1	395.393	2.350	20	5		GEBDMM
Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826305843	607577102	/nfs/dbraw/zinc/57/71/02/607577102.db2.gz	KAGSCHARJZWXLM-LLVKDONJSA-N	-1	1	388.409	2.123	20	5		GEBDMM
CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825194415	607586866	/nfs/dbraw/zinc/58/68/66/607586866.db2.gz	QOSQZWBTRIKMMX-WDEREUQCSA-N	-1	1	380.430	2.022	20	5		GEBDMM
O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CC2)C2CCCCC2)c1-c1nn[n-]n1	ZINC000826499737	607588231	/nfs/dbraw/zinc/58/82/31/607588231.db2.gz	VCAHXWLIENUZEJ-UHFFFAOYSA-N	-1	1	392.441	2.261	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1	ZINC000826293182	607591028	/nfs/dbraw/zinc/59/10/28/607591028.db2.gz	DXUNRIXNAPSSJW-UHFFFAOYSA-N	-1	1	375.366	2.159	20	5		GEBDMM
Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000826283045	607592582	/nfs/dbraw/zinc/59/25/82/607592582.db2.gz	JDWIIUCKPUOZQF-LLVKDONJSA-N	-1	1	388.409	2.123	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1Cl	ZINC000826499591	607600081	/nfs/dbraw/zinc/60/00/81/607600081.db2.gz	OODYPIVVOOBYDN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1Cl	ZINC000826499591	607600082	/nfs/dbraw/zinc/60/00/82/607600082.db2.gz	OODYPIVVOOBYDN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
C[C@H](CCC(C)(C)C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824400947	607619936	/nfs/dbraw/zinc/61/99/36/607619936.db2.gz	NACLBWRJZZLLMY-SNVBAGLBSA-N	-1	1	382.446	2.268	20	5		GEBDMM
C[C@@H]1CC(C)(C)CC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824877578	607662615	/nfs/dbraw/zinc/66/26/15/607662615.db2.gz	YRZYQHGBZHLRKI-GHMZBOCLSA-N	-1	1	394.457	2.268	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1	ZINC000826499645	607672782	/nfs/dbraw/zinc/67/27/82/607672782.db2.gz	QXBZGMIWFYEJFN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1	ZINC000826499645	607672784	/nfs/dbraw/zinc/67/27/84/607672784.db2.gz	QXBZGMIWFYEJFN-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1OS(=O)(=O)c1ccccc1-c1nn[n-]n1	ZINC000826499605	607673155	/nfs/dbraw/zinc/67/31/55/607673155.db2.gz	PFEXQCKGBSIBSE-UHFFFAOYSA-N	-1	1	381.757	2.196	20	5		GEBDMM
CCOc1ccc(C[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])cc1	ZINC000833664066	605703589	/nfs/dbraw/zinc/70/35/89/605703589.db2.gz	JKAWGAJEIHVZCT-AWEZNQCLSA-N	-1	1	388.376	2.372	20	5		GEBDMM
O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000834162314	606006771	/nfs/dbraw/zinc/00/67/71/606006771.db2.gz	UHHRGKOYIBWDLJ-SWKMLJDHSA-N	-1	1	387.396	2.416	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820511889	606137253	/nfs/dbraw/zinc/13/72/53/606137253.db2.gz	FBBJOBNMIFWLOM-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000820511889	606137254	/nfs/dbraw/zinc/13/72/54/606137254.db2.gz	FBBJOBNMIFWLOM-QMMMGPOBSA-N	-1	1	388.365	2.020	20	5		GEBDMM
Cc1cccc(NC(=O)CN(C)c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1C	ZINC000822324193	606644882	/nfs/dbraw/zinc/64/48/82/606644882.db2.gz	XIXQDPOKXSCVDD-UHFFFAOYSA-N	-1	1	381.396	2.467	20	5		GEBDMM
O=C(CC1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)N1CCCC1	ZINC000822946144	606645049	/nfs/dbraw/zinc/64/50/49/606645049.db2.gz	WGDHRYUYVKGSLZ-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
O=C(C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1)N1CCCCC1	ZINC000822916788	606645321	/nfs/dbraw/zinc/64/53/21/606645321.db2.gz	DEZTXIGITFXQRY-UHFFFAOYSA-N	-1	1	385.428	2.004	20	5		GEBDMM
CCCCNC(=O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1	ZINC000821071418	606698362	/nfs/dbraw/zinc/69/83/62/606698362.db2.gz	DLOZLCZOEIUNFZ-UHFFFAOYSA-N	-1	1	396.411	2.312	20	5		GEBDMM
CCCCNC(=O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1	ZINC000821071418	606698363	/nfs/dbraw/zinc/69/83/63/606698363.db2.gz	DLOZLCZOEIUNFZ-UHFFFAOYSA-N	-1	1	396.411	2.312	20	5		GEBDMM
CCOC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cc1ccccc1	ZINC000821319210	606702895	/nfs/dbraw/zinc/70/28/95/606702895.db2.gz	CCHJSXNJBXPAMO-CYBMUJFWSA-N	-1	1	397.395	2.004	20	5		GEBDMM
CCOC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cc1ccccc1	ZINC000821319210	606702897	/nfs/dbraw/zinc/70/28/97/606702897.db2.gz	CCHJSXNJBXPAMO-CYBMUJFWSA-N	-1	1	397.395	2.004	20	5		GEBDMM
CN(c1ccccc1)C1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1	ZINC000821619406	606709888	/nfs/dbraw/zinc/70/98/88/606709888.db2.gz	VZWXLJLRZRGCGG-UHFFFAOYSA-N	-1	1	380.412	2.275	20	5		GEBDMM
CN(c1ccccc1)C1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1	ZINC000821619406	606709890	/nfs/dbraw/zinc/70/98/90/606709890.db2.gz	VZWXLJLRZRGCGG-UHFFFAOYSA-N	-1	1	380.412	2.275	20	5		GEBDMM
Cc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1	ZINC000822238588	606719961	/nfs/dbraw/zinc/71/99/61/606719961.db2.gz	NEQFVAAJCBYYTQ-CYBMUJFWSA-N	-1	1	397.395	2.258	20	5		GEBDMM
Cc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(O[C@@H]2CCOC2)c1	ZINC000822238588	606719964	/nfs/dbraw/zinc/71/99/64/606719964.db2.gz	NEQFVAAJCBYYTQ-CYBMUJFWSA-N	-1	1	397.395	2.258	20	5		GEBDMM
CC[C@@H](C)[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820860255	606734359	/nfs/dbraw/zinc/73/43/59/606734359.db2.gz	IOHLACPZSBWPEE-VXGBXAGGSA-N	-1	1	394.457	2.364	20	5		GEBDMM
CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820061463	606735382	/nfs/dbraw/zinc/73/53/82/606735382.db2.gz	BUJCFNZKFJHPOM-LBPRGKRZSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ncc(Cl)cc1Cl	ZINC000823624535	606792186	/nfs/dbraw/zinc/79/21/86/606792186.db2.gz	BXIGSLDHCFXNQR-UHFFFAOYSA-N	-1	1	397.182	2.363	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ncc(Cl)cc1Cl	ZINC000823624535	606792188	/nfs/dbraw/zinc/79/21/88/606792188.db2.gz	BXIGSLDHCFXNQR-UHFFFAOYSA-N	-1	1	397.182	2.363	20	5		GEBDMM
CCC[C@@H](C)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821014440	607144299	/nfs/dbraw/zinc/14/42/99/607144299.db2.gz	HEOWXCGWKVQKDT-VXGBXAGGSA-N	-1	1	394.457	2.364	20	5		GEBDMM
Cc1cc(C)c(NC(=O)CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1	ZINC000822194411	607167516	/nfs/dbraw/zinc/16/75/16/607167516.db2.gz	WJNWTKTXZZYOON-UHFFFAOYSA-N	-1	1	396.411	2.170	20	5		GEBDMM
Cc1cc(C)c(NC(=O)CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1	ZINC000822194411	607167518	/nfs/dbraw/zinc/16/75/18/607167518.db2.gz	WJNWTKTXZZYOON-UHFFFAOYSA-N	-1	1	396.411	2.170	20	5		GEBDMM
CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000451942768	650155928	/nfs/dbraw/zinc/15/59/28/650155928.db2.gz	CGKXUJKTQAQNDF-KOLCDFICSA-N	-1	1	376.818	2.258	20	5		GEBDMM
CC[C@H](O)[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000451976119	650160023	/nfs/dbraw/zinc/16/00/23/650160023.db2.gz	MHHYCFQCGVBOOE-ONGXEEELSA-N	-1	1	381.248	2.185	20	5		GEBDMM
COc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000533094451	650756975	/nfs/dbraw/zinc/75/69/75/650756975.db2.gz	GEWDBXUGJHGERD-LBPRGKRZSA-N	-1	1	386.813	2.269	20	5		GEBDMM
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1	ZINC000066327554	642908698	/nfs/dbraw/zinc/90/86/98/642908698.db2.gz	QIGTZYMPZURVIY-MRVPVSSYSA-N	-1	1	376.437	2.301	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C	ZINC000096876606	643091726	/nfs/dbraw/zinc/09/17/26/643091726.db2.gz	FDNGEDJOQFHEOD-JTQLQIEISA-N	-1	1	381.248	2.307	20	5		GEBDMM
CNC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000101570768	643108966	/nfs/dbraw/zinc/10/89/66/643108966.db2.gz	OQFUNYNHFOXQKE-UHFFFAOYSA-N	-1	1	383.813	2.086	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nccn1CC(F)(F)F	ZINC000538070276	650829531	/nfs/dbraw/zinc/82/95/31/650829531.db2.gz	HNFFSHYHUFJVHL-UHFFFAOYSA-N	-1	1	398.750	2.486	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)C(F)(F)F	ZINC000497955470	650843301	/nfs/dbraw/zinc/84/33/01/650843301.db2.gz	ZKKQYUVUXVSLBT-GMSGAONNSA-N	-1	1	376.740	2.228	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1cccnc1	ZINC000121578844	643635844	/nfs/dbraw/zinc/63/58/44/643635844.db2.gz	YLUSDEZRIMHHGN-UHFFFAOYSA-N	-1	1	386.227	2.273	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cn1	ZINC000125634391	643709565	/nfs/dbraw/zinc/70/95/65/643709565.db2.gz	GOCHYUGATCUCOS-UHFFFAOYSA-N	-1	1	375.765	2.140	20	5		GEBDMM
CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000178740939	644438255	/nfs/dbraw/zinc/43/82/55/644438255.db2.gz	VSRAPUNOLUBMKC-LBPRGKRZSA-N	-1	1	381.248	2.043	20	5		GEBDMM
CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000178772692	644439283	/nfs/dbraw/zinc/43/92/83/644439283.db2.gz	CPWYLTIUZNBDRP-SNVBAGLBSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1	ZINC000545891090	650983918	/nfs/dbraw/zinc/98/39/18/650983918.db2.gz	FXFAMHQNCCGLRQ-UHFFFAOYSA-N	-1	1	386.695	2.129	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCSC2)C1	ZINC000269108421	646016402	/nfs/dbraw/zinc/01/64/02/646016402.db2.gz	CHZCNBDBXIXYMA-HZMBPMFUSA-N	-1	1	376.431	2.067	20	5		GEBDMM
CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000271332449	646192536	/nfs/dbraw/zinc/19/25/36/646192536.db2.gz	MBIROVHBMAMSSG-UHFFFAOYSA-N	-1	1	381.248	2.185	20	5		GEBDMM
C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000277738766	646468461	/nfs/dbraw/zinc/46/84/61/646468461.db2.gz	JZJDZNYQOFPRIP-SCZZXKLOSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)C(C)C	ZINC000416632505	648194700	/nfs/dbraw/zinc/19/47/00/648194700.db2.gz	WMSUYZMXVKPSKI-GXFFZTMASA-N	-1	1	395.275	2.431	20	5		GEBDMM
O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1[O-]	ZINC000436938004	648799333	/nfs/dbraw/zinc/79/93/33/648799333.db2.gz	RZLZCVCMWDYMHD-UHFFFAOYSA-N	-1	1	384.797	2.158	20	5		GEBDMM
CCC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000443318001	648872367	/nfs/dbraw/zinc/87/23/67/648872367.db2.gz	SWTOWTVMBFINHN-GFCCVEGCSA-N	-1	1	381.248	2.187	20	5		GEBDMM
O=C([O-])C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000556773262	651251775	/nfs/dbraw/zinc/25/17/75/651251775.db2.gz	QSXKRJXTZQRMOK-LURJTMIESA-N	-1	1	390.723	2.180	20	5		GEBDMM
COc1ccc(Br)c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1	ZINC000604102776	651509139	/nfs/dbraw/zinc/50/91/39/651509139.db2.gz	KKMSTSGHRUXJPV-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])no1	ZINC000609134390	651610533	/nfs/dbraw/zinc/61/05/33/651610533.db2.gz	VIRXJYVRSSTPJW-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000738392470	651895424	/nfs/dbraw/zinc/89/54/24/651895424.db2.gz	JPDRGYTXUYPSOB-UHFFFAOYSA-N	-1	1	385.423	2.356	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2Cl)s1	ZINC000751440560	652350918	/nfs/dbraw/zinc/35/09/18/652350918.db2.gz	HKUOIIOEEGACPX-VIFPVBQESA-N	-1	1	380.806	2.461	20	5		GEBDMM
CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000594828465	652689454	/nfs/dbraw/zinc/68/94/54/652689454.db2.gz	GZVDIOHSSZOUBH-MGCOHNPYSA-N	-1	1	379.232	2.203	20	5		GEBDMM
CC(C)(C)N1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O	ZINC000595361561	652715151	/nfs/dbraw/zinc/71/51/51/652715151.db2.gz	XOSVVALLMJSXOM-SNVBAGLBSA-N	-1	1	389.861	2.174	20	5		GEBDMM
C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OCC	ZINC000765945916	652858836	/nfs/dbraw/zinc/85/88/36/652858836.db2.gz	RMQZTHNALYWNAM-JOAKQRRISA-N	-1	1	376.818	2.424	20	5		GEBDMM
CCn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c([N+](=O)[O-])n1	ZINC000599468894	652874936	/nfs/dbraw/zinc/87/49/36/652874936.db2.gz	RSIIPZCWKQMWNT-ZLKJLUDKSA-N	-1	1	382.829	2.081	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1	ZINC000599481682	652875536	/nfs/dbraw/zinc/87/55/36/652875536.db2.gz	HKQKYDCWKUDWCI-PWSUYJOCSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cn2c(n1)SCC2	ZINC000767295380	652918786	/nfs/dbraw/zinc/91/87/86/652918786.db2.gz	IOFCXFFEBDESTC-UHFFFAOYSA-N	-1	1	388.858	2.071	20	5		GEBDMM
NC(=O)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCCC1	ZINC000809811638	653297082	/nfs/dbraw/zinc/29/70/82/653297082.db2.gz	OZOQJNGZLWJXND-UHFFFAOYSA-N	-1	1	396.252	2.368	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)Nc1ccccc1	ZINC000809813240	653298082	/nfs/dbraw/zinc/29/80/82/653298082.db2.gz	CPLWNSSIZGNHDS-UHFFFAOYSA-N	-1	1	387.776	2.304	20	5		GEBDMM
CCn1nccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Br	ZINC000775201425	653304264	/nfs/dbraw/zinc/30/42/64/653304264.db2.gz	IAWFWLPABRXBOL-UHFFFAOYSA-N	-1	1	375.204	2.375	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCCn2ccnc2)cc1Cl	ZINC000809830437	653305490	/nfs/dbraw/zinc/30/54/90/653305490.db2.gz	XRHGFZDHLGYKLT-UHFFFAOYSA-N	-1	1	376.797	2.343	20	5		GEBDMM
COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000809839032	653307818	/nfs/dbraw/zinc/30/78/18/653307818.db2.gz	FGHANLVKMRFYOE-JQWIXIFHSA-N	-1	1	399.252	2.374	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c(Cl)cc1Cl	ZINC000809840221	653308023	/nfs/dbraw/zinc/30/80/23/653308023.db2.gz	SRKVNLYBQPSOJD-YFKPBYRVSA-N	-1	1	379.168	2.196	20	5		GEBDMM
C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CCCCC1=O	ZINC000809841207	653308313	/nfs/dbraw/zinc/30/83/13/653308313.db2.gz	AAHNUZRKGRVROL-VIFPVBQESA-N	-1	1	393.824	2.067	20	5		GEBDMM
CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000812363113	653425141	/nfs/dbraw/zinc/42/51/41/653425141.db2.gz	UTIRCMMOFZQHFI-UHFFFAOYSA-N	-1	1	385.785	2.114	20	5		GEBDMM
COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1	ZINC000859287263	653433646	/nfs/dbraw/zinc/43/36/46/653433646.db2.gz	LWQVUPNJCDVWSS-QMMMGPOBSA-N	-1	1	395.220	2.442	20	5		GEBDMM
CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1	ZINC000859320080	653441123	/nfs/dbraw/zinc/44/11/23/653441123.db2.gz	FAMKVGAQWUEZKU-VIFPVBQESA-N	-1	1	392.792	2.318	20	5		GEBDMM
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000859340753	653443925	/nfs/dbraw/zinc/44/39/25/653443925.db2.gz	IGALZDRXVNCUSE-VXFNFUGZSA-N	-1	1	393.259	2.448	20	5		GEBDMM
Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000814986030	653642096	/nfs/dbraw/zinc/64/20/96/653642096.db2.gz	CMTWQEPZQCMUSL-NSHDSACASA-N	-1	1	388.808	2.477	20	5		GEBDMM
CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815015567	653643621	/nfs/dbraw/zinc/64/36/21/653643621.db2.gz	JTEGBXYBWFKLES-JOCHJYFZSA-N	-1	1	386.854	2.213	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)Cc1ccccc1	ZINC000815017135	653643937	/nfs/dbraw/zinc/64/39/37/653643937.db2.gz	VHNDKOZTBNRHLE-LLVKDONJSA-N	-1	1	388.804	2.269	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1	ZINC000815022951	653644906	/nfs/dbraw/zinc/64/49/06/653644906.db2.gz	FDBAEXZYLCSNMB-UHFFFAOYSA-N	-1	1	380.781	2.151	20	5		GEBDMM
COc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1	ZINC000815024234	653645128	/nfs/dbraw/zinc/64/51/28/653645128.db2.gz	WHUBSCWYPWLLCR-UHFFFAOYSA-N	-1	1	389.792	2.312	20	5		GEBDMM
CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815028591	653645869	/nfs/dbraw/zinc/64/58/69/653645869.db2.gz	CJXNBUPVMZPMTL-QMMMGPOBSA-N	-1	1	382.797	2.397	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1COC2(CCCC2)O1	ZINC000815031556	653646275	/nfs/dbraw/zinc/64/62/75/653646275.db2.gz	WSTUZLJOGGJNGK-VIFPVBQESA-N	-1	1	394.808	2.351	20	5		GEBDMM
CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815033320	653646602	/nfs/dbraw/zinc/64/66/02/653646602.db2.gz	YKIMYEVZFZZUCP-YUMQZZPRSA-N	-1	1	382.797	2.253	20	5		GEBDMM
C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])O1	ZINC000841534093	653729004	/nfs/dbraw/zinc/72/90/04/653729004.db2.gz	JAXLHZJDFAIBGW-YUMQZZPRSA-N	-1	1	397.222	2.342	20	5		GEBDMM
COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000841555397	653732413	/nfs/dbraw/zinc/73/24/13/653732413.db2.gz	DDLIRAXVRZQTST-JTQLQIEISA-N	-1	1	380.781	2.007	20	5		GEBDMM
Cc1n[nH]cc1S(=O)(=O)[N-][C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F	ZINC000841560394	653733938	/nfs/dbraw/zinc/73/39/38/653733938.db2.gz	JEXDQQDNPFTDTA-NSHDSACASA-N	-1	1	382.295	2.347	20	5		GEBDMM
CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[C@H](O)C(C)C	ZINC000841562224	653734537	/nfs/dbraw/zinc/73/45/37/653734537.db2.gz	WLBVGHUMOXRVJB-GXFFZTMASA-N	-1	1	395.275	2.431	20	5		GEBDMM
CCO[C@H]1C[C@@](O)(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1(C)C	ZINC000788932519	653766825	/nfs/dbraw/zinc/76/68/25/653766825.db2.gz	MSWOHSRVXBJPQF-DZGCQCFKSA-N	-1	1	392.861	2.093	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccnc(OC(F)F)c1	ZINC000790447027	653792050	/nfs/dbraw/zinc/79/20/50/653792050.db2.gz	UZFDLTYEHVLEST-UHFFFAOYSA-N	-1	1	377.300	2.209	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c1Cl	ZINC000846026450	653882443	/nfs/dbraw/zinc/88/24/43/653882443.db2.gz	DSHGFAVFZIDUGS-ZDUSSCGKSA-N	-1	1	399.252	2.112	20	5		GEBDMM
COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1	ZINC000795226410	653940116	/nfs/dbraw/zinc/94/01/16/653940116.db2.gz	PFPJSHOHASKVPB-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCOC1	ZINC000795832661	653969093	/nfs/dbraw/zinc/96/90/93/653969093.db2.gz	IQUJDQSSOPPXDC-GFCCVEGCSA-N	-1	1	397.222	2.201	20	5		GEBDMM
CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795847485	653969861	/nfs/dbraw/zinc/96/98/61/653969861.db2.gz	TUVVZKUMOYCFMS-ZETCQYMHSA-N	-1	1	385.211	2.200	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CCOC1CCC1	ZINC000795865359	653972784	/nfs/dbraw/zinc/97/27/84/653972784.db2.gz	YGCSXFZHAWNJFH-UHFFFAOYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)cc1Cl	ZINC000867885676	654003103	/nfs/dbraw/zinc/00/31/03/654003103.db2.gz	SLWCWZLWEDMBRI-JOYOIKCWSA-N	-1	1	378.809	2.481	20	5		GEBDMM
CC(=O)N1CCC([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1	ZINC000829792779	654080014	/nfs/dbraw/zinc/08/00/14/654080014.db2.gz	DUMILRALWHSJDL-UHFFFAOYSA-N	-1	1	396.252	2.191	20	5		GEBDMM
CCc1nncn1CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830739975	654139666	/nfs/dbraw/zinc/13/96/66/654139666.db2.gz	OZPQNYSKDRGQLE-UHFFFAOYSA-N	-1	1	394.240	2.034	20	5		GEBDMM
NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	ZINC000830787170	654142170	/nfs/dbraw/zinc/14/21/70/654142170.db2.gz	QZMOXFPWHHFKOE-VXNVDRBHSA-N	-1	1	396.252	2.224	20	5		GEBDMM
CC(C)(C)OC(=O)N1CC[C@@](C)([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000851900827	654204246	/nfs/dbraw/zinc/20/42/46/654204246.db2.gz	ZYLCRRHEUODXSG-CQSZACIVSA-N	-1	1	391.471	2.334	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)NC(=O)OC(C)(C)C	ZINC000831902673	654217128	/nfs/dbraw/zinc/21/71/28/654217128.db2.gz	LWJLLMGPRAFLNA-IUCAKERBSA-N	-1	1	379.460	2.236	20	5		GEBDMM
CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1	ZINC000832071199	654231205	/nfs/dbraw/zinc/23/12/05/654231205.db2.gz	CYBYLQGBXBSNMN-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1Cl	ZINC000903652544	654273131	/nfs/dbraw/zinc/27/31/31/654273131.db2.gz	KKEVRMCVCBWDOE-RDDDGLTNSA-N	-1	1	388.751	2.494	20	5		GEBDMM
C[C@]1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1	ZINC000156151665	531719497	/nfs/dbraw/zinc/71/94/97/531719497.db2.gz	YMVVNLYARFBSID-GFCCVEGCSA-N	-1	1	379.232	2.205	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccccn2)C1	ZINC000159382178	531780210	/nfs/dbraw/zinc/78/02/10/531780210.db2.gz	MZZOXFPAGBWHNB-LLVKDONJSA-N	-1	1	382.829	2.200	20	5		GEBDMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-]	ZINC000063886529	531863954	/nfs/dbraw/zinc/86/39/54/531863954.db2.gz	USAKQECXCFUGPK-UHFFFAOYSA-N	-1	1	384.435	2.249	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nnc2n1CCCCC2	ZINC000170656200	531886466	/nfs/dbraw/zinc/88/64/66/531886466.db2.gz	GVARPYBTTILXCT-UHFFFAOYSA-N	-1	1	385.833	2.045	20	5		GEBDMM
CC(C)(CO)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000121687112	532041624	/nfs/dbraw/zinc/04/16/24/532041624.db2.gz	MFIAMENEZOQBNZ-UHFFFAOYSA-N	-1	1	395.275	2.434	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO	ZINC000188906315	532350121	/nfs/dbraw/zinc/35/01/21/532350121.db2.gz	DTKQKGJLINKRNW-MWLCHTKSSA-N	-1	1	393.259	2.187	20	5		GEBDMM
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1	ZINC000463439809	532372269	/nfs/dbraw/zinc/37/22/69/532372269.db2.gz	LZICSCLOQOQBFO-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=C([N-]c1n[nH]c(SCCO)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000295092380	532402368	/nfs/dbraw/zinc/40/23/68/532402368.db2.gz	XYCXOAIDIMXGNG-UHFFFAOYSA-N	-1	1	377.304	2.068	20	5		GEBDMM
COC(=O)C1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1	ZINC000295185045	532415762	/nfs/dbraw/zinc/41/57/62/532415762.db2.gz	QHRZSJYPUVJUGZ-UHFFFAOYSA-N	-1	1	383.209	2.276	20	5		GEBDMM
CS(=O)(=O)[N-]c1ccc(Oc2ncc(Br)cc2[N+](=O)[O-])cn1	ZINC000431436682	532513755	/nfs/dbraw/zinc/51/37/55/532513755.db2.gz	WEHGNLJJFDAWAP-UHFFFAOYSA-N	-1	1	389.187	2.311	20	5		GEBDMM
Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)[nH]1	ZINC000296062966	532498109	/nfs/dbraw/zinc/49/81/09/532498109.db2.gz	PCJLBXBJPNDZAM-RXMQYKEDSA-N	-1	1	380.213	2.368	20	5		GEBDMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ncc(Br)cn1	ZINC000431626299	532518650	/nfs/dbraw/zinc/51/86/50/532518650.db2.gz	AALKUPGNGOVBNN-LURJTMIESA-N	-1	1	393.244	2.248	20	5		GEBDMM
Cn1cc(CC[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cn1	ZINC000296874189	532550544	/nfs/dbraw/zinc/55/05/44/532550544.db2.gz	ZXXCHIRUMMPKOG-UHFFFAOYSA-N	-1	1	379.225	2.156	20	5		GEBDMM
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000595354861	532559136	/nfs/dbraw/zinc/55/91/36/532559136.db2.gz	NHEAFWZXKNEAKR-NSHDSACASA-N	-1	1	392.275	2.120	20	5		GEBDMM
CCc1ccc(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1	ZINC000477127937	532647191	/nfs/dbraw/zinc/64/71/91/532647191.db2.gz	UCNJSOSBOQGJQN-UHFFFAOYSA-N	-1	1	384.435	2.468	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCCOC1	ZINC000285135533	532649335	/nfs/dbraw/zinc/64/93/35/532649335.db2.gz	JRFGXMVGBJLZOL-MRVPVSSYSA-N	-1	1	397.222	2.201	20	5		GEBDMM
O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F	ZINC000599373350	532658858	/nfs/dbraw/zinc/65/88/58/532658858.db2.gz	VOXOTSKBACJSLL-GFCCVEGCSA-N	-1	1	378.332	2.014	20	5		GEBDMM
CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])(C(N)=O)CC1	ZINC000535357363	532680320	/nfs/dbraw/zinc/68/03/20/532680320.db2.gz	TXZQFYDISSYANI-UHFFFAOYSA-N	-1	1	389.861	2.351	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1	ZINC000266242308	532710977	/nfs/dbraw/zinc/71/09/77/532710977.db2.gz	WJTGWODPVMEADE-BDAKNGLRSA-N	-1	1	379.232	2.061	20	5		GEBDMM
CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)c1nccs1	ZINC000326853010	532791018	/nfs/dbraw/zinc/79/10/18/532791018.db2.gz	QSACUTIMBSKZSH-LLVKDONJSA-N	-1	1	385.423	2.268	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn(Cc3ccccc3)n2)s1	ZINC000556358875	532810553	/nfs/dbraw/zinc/81/05/53/532810553.db2.gz	UZEJITHLOFSVCN-UHFFFAOYSA-N	-1	1	378.435	2.380	20	5		GEBDMM
CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1	ZINC000290846231	532891175	/nfs/dbraw/zinc/89/11/75/532891175.db2.gz	WBWHRMADVOVXOW-QMMMGPOBSA-N	-1	1	396.252	2.191	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1	ZINC000361178581	532892426	/nfs/dbraw/zinc/89/24/26/532892426.db2.gz	FKNLTAIJCITIMV-MFKMUULPSA-N	-1	1	391.243	2.203	20	5		GEBDMM
O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1	ZINC000738144285	598993384	/nfs/dbraw/zinc/99/33/84/598993384.db2.gz	KZPLLTFTGFLUPR-UHFFFAOYSA-N	-1	1	377.267	2.024	20	5		GEBDMM
O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1	ZINC000738144285	598993385	/nfs/dbraw/zinc/99/33/85/598993385.db2.gz	KZPLLTFTGFLUPR-UHFFFAOYSA-N	-1	1	377.267	2.024	20	5		GEBDMM
O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1	ZINC000738368651	598274657	/nfs/dbraw/zinc/27/46/57/598274657.db2.gz	HFAULXLMBJZAGX-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1ccccc1N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1	ZINC000738368651	598274659	/nfs/dbraw/zinc/27/46/59/598274659.db2.gz	HFAULXLMBJZAGX-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(F)c1	ZINC000740155859	600237010	/nfs/dbraw/zinc/23/70/10/600237010.db2.gz	YSWOEURWXFSEPE-UHFFFAOYSA-N	-1	1	385.285	2.141	20	5		GEBDMM
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-c4nnn[n-]4)c3)CC2)s1	ZINC000826282089	607451927	/nfs/dbraw/zinc/45/19/27/607451927.db2.gz	XVELGPTZPPJDKQ-UHFFFAOYSA-N	-1	1	399.436	2.107	20	5		GEBDMM
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-c4nn[n-]n4)c3)CC2)s1	ZINC000826282089	607451929	/nfs/dbraw/zinc/45/19/29/607451929.db2.gz	XVELGPTZPPJDKQ-UHFFFAOYSA-N	-1	1	399.436	2.107	20	5		GEBDMM
O=C([O-])N1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1	ZINC000833279120	600724346	/nfs/dbraw/zinc/72/43/46/600724346.db2.gz	RVYZWJHNCZQMAY-UHFFFAOYSA-N	-1	1	398.224	2.322	20	5		GEBDMM
O=C([O-])N1CCC(N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1	ZINC000740498952	601932093	/nfs/dbraw/zinc/93/20/93/601932093.db2.gz	AXVDMECLWRJGCF-UHFFFAOYSA-N	-1	1	388.424	2.091	20	5		GEBDMM
Cc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)cc1	ZINC000826283046	607592712	/nfs/dbraw/zinc/59/27/12/607592712.db2.gz	JDWIIUCKPUOZQF-NSHDSACASA-N	-1	1	388.409	2.123	20	5		GEBDMM
CC(C)[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000824214811	607606126	/nfs/dbraw/zinc/60/61/26/607606126.db2.gz	IFOPAOZGPKMGRK-VXGBXAGGSA-N	-1	1	394.457	2.268	20	5		GEBDMM
CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825251567	607606319	/nfs/dbraw/zinc/60/63/19/607606319.db2.gz	CLJKAEGSYAMGRK-RYUDHWBXSA-N	-1	1	394.457	2.412	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1	ZINC000825717118	607616698	/nfs/dbraw/zinc/61/66/98/607616698.db2.gz	GFGWRAJBCNKZMU-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1	ZINC000825717118	607616700	/nfs/dbraw/zinc/61/67/00/607616700.db2.gz	GFGWRAJBCNKZMU-UHFFFAOYSA-N	-1	1	393.356	2.244	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1	ZINC000826498507	607660166	/nfs/dbraw/zinc/66/01/66/607660166.db2.gz	YCCAUMFXPUNQNK-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1	ZINC000826498507	607660168	/nfs/dbraw/zinc/66/01/68/607660168.db2.gz	YCCAUMFXPUNQNK-UHFFFAOYSA-N	-1	1	399.747	2.335	20	5		GEBDMM
CCCC[C@@H](CCC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825258883	607662334	/nfs/dbraw/zinc/66/23/34/607662334.db2.gz	GOVUDBHIDNINAB-LLVKDONJSA-N	-1	1	382.446	2.412	20	5		GEBDMM
CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])n[nH]1	ZINC000833673027	605072228	/nfs/dbraw/zinc/07/22/28/605072228.db2.gz	HGFFQVLCFBVYEI-VIFPVBQESA-N	-1	1	393.425	2.333	20	5		GEBDMM
COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1C(=O)[O-]	ZINC000833734578	605169633	/nfs/dbraw/zinc/16/96/33/605169633.db2.gz	OCMYGCABQGLBLK-UHFFFAOYSA-N	-1	1	382.350	2.111	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]21	ZINC000834177859	605321589	/nfs/dbraw/zinc/32/15/89/605321589.db2.gz	DADROQIORCNRIX-SOUVJXGZSA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21	ZINC000834187144	605323843	/nfs/dbraw/zinc/32/38/43/605323843.db2.gz	YLPQWIGASYMNGG-CWRNSKLLSA-N	-1	1	386.412	2.179	20	5		GEBDMM
O=C([O-])N1CCC2(CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)CC1	ZINC000834091607	605862536	/nfs/dbraw/zinc/86/25/36/605862536.db2.gz	FQBGJUWCFSUZTG-UHFFFAOYSA-N	-1	1	386.412	2.277	20	5		GEBDMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)[O-])CC2	ZINC000833907135	605877182	/nfs/dbraw/zinc/87/71/82/605877182.db2.gz	BXGDIXAZMWPCBV-UHFFFAOYSA-N	-1	1	392.393	2.135	20	5		GEBDMM
COc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1	ZINC000821897669	606644277	/nfs/dbraw/zinc/64/42/77/606644277.db2.gz	JQDSRSARLXEQFU-UHFFFAOYSA-N	-1	1	381.396	2.110	20	5		GEBDMM
C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1	ZINC000820456948	606644707	/nfs/dbraw/zinc/64/47/07/606644707.db2.gz	XQSNPWSAZDMXPJ-SNVBAGLBSA-N	-1	1	388.409	2.352	20	5		GEBDMM
O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000823436014	606650518	/nfs/dbraw/zinc/65/05/18/606650518.db2.gz	DVJYHQSGOXTNOW-UHFFFAOYSA-N	-1	1	395.379	2.127	20	5		GEBDMM
O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000823436014	606650519	/nfs/dbraw/zinc/65/05/19/606650519.db2.gz	DVJYHQSGOXTNOW-UHFFFAOYSA-N	-1	1	395.379	2.127	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccccc2Cl)C1	ZINC000823620805	606709518	/nfs/dbraw/zinc/70/95/18/606709518.db2.gz	QNSPXMMRMAGNMB-ZDUSSCGKSA-N	-1	1	387.787	2.401	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccccc2Cl)C1	ZINC000823620805	606709520	/nfs/dbraw/zinc/70/95/20/606709520.db2.gz	QNSPXMMRMAGNMB-ZDUSSCGKSA-N	-1	1	387.787	2.401	20	5		GEBDMM
COc1ccc(OC(F)F)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1	ZINC000821838876	606719690	/nfs/dbraw/zinc/71/96/90/606719690.db2.gz	QXCZYZLSWLSTIW-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
COc1ccc(OC(F)F)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1	ZINC000821838876	606719691	/nfs/dbraw/zinc/71/96/91/606719691.db2.gz	QXCZYZLSWLSTIW-UHFFFAOYSA-N	-1	1	393.310	2.392	20	5		GEBDMM
C[C@@H](c1cccs1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000820570109	606732286	/nfs/dbraw/zinc/73/22/86/606732286.db2.gz	DNJGFDXQWVNYTD-VIFPVBQESA-N	-1	1	394.438	2.218	20	5		GEBDMM
CCC[C@H]1[C@H](C)CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000821034703	606734934	/nfs/dbraw/zinc/73/49/34/606734934.db2.gz	RPNNXLCNRXZHKD-NEPJUHHUSA-N	-1	1	394.457	2.364	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000823620903	607161368	/nfs/dbraw/zinc/16/13/68/607161368.db2.gz	SHIJLWXRGISCRC-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCN(c2cccc(Cl)c2)CC1	ZINC000823620903	607161370	/nfs/dbraw/zinc/16/13/70/607161370.db2.gz	SHIJLWXRGISCRC-UHFFFAOYSA-N	-1	1	386.803	2.150	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCNc1nc2ccccc2s1	ZINC000823625540	607168751	/nfs/dbraw/zinc/16/87/51/607168751.db2.gz	XXVVCDXUSLKOFY-UHFFFAOYSA-N	-1	1	383.397	2.304	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCNc1nc2ccccc2s1	ZINC000823625540	607168753	/nfs/dbraw/zinc/16/87/53/607168753.db2.gz	XXVVCDXUSLKOFY-UHFFFAOYSA-N	-1	1	383.397	2.304	20	5		GEBDMM
CC(C)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C1CCCC1	ZINC000824157249	607811643	/nfs/dbraw/zinc/81/16/43/607811643.db2.gz	DXFYUDXNXITVAI-UHFFFAOYSA-N	-1	1	394.457	2.270	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccc(C(F)(F)F)n1	ZINC000826497317	607966945	/nfs/dbraw/zinc/96/69/45/607966945.db2.gz	CFJHGEDSQDLGDE-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccc(C(F)(F)F)n1	ZINC000826497317	607966946	/nfs/dbraw/zinc/96/69/46/607966946.db2.gz	CFJHGEDSQDLGDE-UHFFFAOYSA-N	-1	1	396.289	2.075	20	5		GEBDMM
Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	ZINC000826278423	609311544	/nfs/dbraw/zinc/31/15/44/609311544.db2.gz	BJBUPMVSHKMJOF-UHFFFAOYSA-N	-1	1	392.372	2.332	20	5		GEBDMM
CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1	ZINC000451981980	650161195	/nfs/dbraw/zinc/16/11/95/650161195.db2.gz	FMXHTPDIISZQOL-AMIZOPFISA-N	-1	1	393.259	2.449	20	5		GEBDMM
CNC(=O)Cn1nc([N-]c2ncc([N+](=O)[O-])c(C)c2Br)cc1C	ZINC000544394311	650439077	/nfs/dbraw/zinc/43/90/77/650439077.db2.gz	MRCSSTZEDYQCTF-UHFFFAOYSA-N	-1	1	383.206	2.055	20	5		GEBDMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-]	ZINC000491592675	650787688	/nfs/dbraw/zinc/78/76/88/650787688.db2.gz	XUYGGYUIRWUMAC-UHFFFAOYSA-N	-1	1	384.435	2.416	20	5		GEBDMM
O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F	ZINC000105616344	643211456	/nfs/dbraw/zinc/21/14/56/643211456.db2.gz	CDSTVXBOSQNHBP-UHFFFAOYSA-N	-1	1	375.328	2.403	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3F)C2)s1	ZINC000106896614	643244362	/nfs/dbraw/zinc/24/43/62/643244362.db2.gz	JHJQNWFTRMPLMH-SNVBAGLBSA-N	-1	1	389.405	2.492	20	5		GEBDMM
Cc1cc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)on1	ZINC000119944341	643580962	/nfs/dbraw/zinc/58/09/62/643580962.db2.gz	ITMICLAGUPAJOR-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2ccccn21	ZINC000119953483	643581430	/nfs/dbraw/zinc/58/14/30/643581430.db2.gz	ZJDJXCRDHGEUIO-ZDUSSCGKSA-N	-1	1	381.439	2.375	20	5		GEBDMM
Cc1cnc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000121160350	643628854	/nfs/dbraw/zinc/62/88/54/643628854.db2.gz	MOODRXVYTWNDKD-UHFFFAOYSA-N	-1	1	376.188	2.132	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ncccc3Cl)C2)s1	ZINC000128038425	643790705	/nfs/dbraw/zinc/79/07/05/643790705.db2.gz	JBUMYVXSWOQURD-SECBINFHSA-N	-1	1	388.858	2.262	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21	ZINC000162201432	644233437	/nfs/dbraw/zinc/23/34/37/644233437.db2.gz	HDOSVVPQBKRHAH-INIZCTEOSA-N	-1	1	382.825	2.361	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCCCCO	ZINC000180647581	644511311	/nfs/dbraw/zinc/51/13/11/644511311.db2.gz	DMEATKHLFLTALA-UHFFFAOYSA-N	-1	1	381.248	2.188	20	5		GEBDMM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Br)o2)cc1	ZINC000544747223	650951743	/nfs/dbraw/zinc/95/17/43/650951743.db2.gz	AOUGBBHQICRWMD-UHFFFAOYSA-N	-1	1	390.215	2.341	20	5		GEBDMM
COc1cc(Br)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000194033132	645309288	/nfs/dbraw/zinc/30/92/88/645309288.db2.gz	XZORHWKRKYOWDQ-UHFFFAOYSA-N	-1	1	382.170	2.397	20	5		GEBDMM
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1	ZINC000271310809	646190313	/nfs/dbraw/zinc/19/03/13/646190313.db2.gz	YPWKABQSRHGHKQ-VHSXEESVSA-N	-1	1	393.259	2.451	20	5		GEBDMM
C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000277738775	646468955	/nfs/dbraw/zinc/46/89/55/646468955.db2.gz	JZJDZNYQOFPRIP-WCBMZHEXSA-N	-1	1	379.232	2.061	20	5		GEBDMM
C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000285632635	646859598	/nfs/dbraw/zinc/85/95/98/646859598.db2.gz	NYPLEQDNQIROMH-NXEZZACHSA-N	-1	1	393.259	2.308	20	5		GEBDMM
CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(O)CCOCC1	ZINC000416648232	648200973	/nfs/dbraw/zinc/20/09/73/648200973.db2.gz	AJBKNNJKVTXLON-UHFFFAOYSA-N	-1	1	392.861	2.094	20	5		GEBDMM
COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1	ZINC000425211976	648671767	/nfs/dbraw/zinc/67/17/67/648671767.db2.gz	YTEVQAZCMQRJHN-SECBINFHSA-N	-1	1	385.423	2.186	20	5		GEBDMM
O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1	ZINC000548237523	651070923	/nfs/dbraw/zinc/07/09/23/651070923.db2.gz	LKMSZAQLWXZXLQ-SVRRBLITSA-N	-1	1	381.193	2.209	20	5		GEBDMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1	ZINC000553569915	651181540	/nfs/dbraw/zinc/18/15/40/651181540.db2.gz	NXLFZPUMXZQSAZ-UHFFFAOYSA-N	-1	1	378.744	2.454	20	5		GEBDMM
CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C	ZINC000728587201	651547802	/nfs/dbraw/zinc/54/78/02/651547802.db2.gz	JVPAZDMOTGUGGK-UHFFFAOYSA-N	-1	1	393.849	2.393	20	5		GEBDMM
CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1	ZINC000610471112	651663634	/nfs/dbraw/zinc/66/36/34/651663634.db2.gz	CBHHPFYSKWDACE-UHFFFAOYSA-N	-1	1	376.847	2.249	20	5		GEBDMM
CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1	ZINC000733799072	651724345	/nfs/dbraw/zinc/72/43/45/651724345.db2.gz	QGLRBDSNDXQTTR-AWEZNQCLSA-N	-1	1	389.861	2.174	20	5		GEBDMM
CN(C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1	ZINC000748657226	652209694	/nfs/dbraw/zinc/20/96/94/652209694.db2.gz	IBHQAVCOMSXPGG-UHFFFAOYSA-N	-1	1	389.861	2.318	20	5		GEBDMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Cl	ZINC000749756709	652265949	/nfs/dbraw/zinc/26/59/49/652265949.db2.gz	ZNOJYPDFXXEWPN-UHFFFAOYSA-N	-1	1	385.785	2.418	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC1CCCCC1	ZINC000751978053	652374488	/nfs/dbraw/zinc/37/44/88/652374488.db2.gz	RTVHDAPMKCZZCR-UHFFFAOYSA-N	-1	1	376.818	2.402	20	5		GEBDMM
CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000757745894	652521816	/nfs/dbraw/zinc/52/18/16/652521816.db2.gz	UDJJLUOFCJIBLI-HQJQHLMTSA-N	-1	1	399.238	2.182	20	5		GEBDMM
CC1(C)CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])(C(N)=O)CC1	ZINC000758489882	652544348	/nfs/dbraw/zinc/54/43/48/652544348.db2.gz	CPFZYBDKLYBPBJ-UHFFFAOYSA-N	-1	1	389.861	2.351	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccc(Cl)cc2)s1	ZINC000588144818	652549476	/nfs/dbraw/zinc/54/94/76/652549476.db2.gz	VURJFHKXJXMODN-SNVBAGLBSA-N	-1	1	376.843	2.364	20	5		GEBDMM
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-][C@@H](CO)C1CCCC1	ZINC000589305426	652565330	/nfs/dbraw/zinc/56/53/30/652565330.db2.gz	ICNXRBUUJBEYRE-NSHDSACASA-N	-1	1	393.259	2.187	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)nc1	ZINC000594818156	652686954	/nfs/dbraw/zinc/68/69/54/652686954.db2.gz	IKLPLMZOGSGXNO-NSHDSACASA-N	-1	1	383.348	2.158	20	5		GEBDMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2SCCS[C@@H]12	ZINC000762519787	652695858	/nfs/dbraw/zinc/69/58/58/652695858.db2.gz	CUSMLMCGTFRTIR-NRUUGDAUSA-N	-1	1	378.472	2.392	20	5		GEBDMM
CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000599409407	652868508	/nfs/dbraw/zinc/86/85/08/652868508.db2.gz	CCXXHMYDLLGZFK-NSHDSACASA-N	-1	1	395.275	2.433	20	5		GEBDMM
COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1	ZINC000599449463	652872999	/nfs/dbraw/zinc/87/29/99/652872999.db2.gz	RBSKFMKDRWGYIL-NSHDSACASA-N	-1	1	376.456	2.304	20	5		GEBDMM
O=C1OCCN1c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1	ZINC000768806636	653127661	/nfs/dbraw/zinc/12/76/61/653127661.db2.gz	CWBHKJYOHKTEBW-UHFFFAOYSA-N	-1	1	383.407	2.091	20	5		GEBDMM
COc1cc2c(cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)O[C@H](C)C2	ZINC000768864823	653133150	/nfs/dbraw/zinc/13/31/50/653133150.db2.gz	UZVQETIJNFJSOL-SECBINFHSA-N	-1	1	384.435	2.467	20	5		GEBDMM
NC(=O)C1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1	ZINC000809815897	653299910	/nfs/dbraw/zinc/29/99/10/653299910.db2.gz	WGIYDGKCDDIDDN-UHFFFAOYSA-N	-1	1	396.252	2.224	20	5		GEBDMM
CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H]2CCO[C@@H]21	ZINC000809821892	653301791	/nfs/dbraw/zinc/30/17/91/653301791.db2.gz	VBJZQSUAZZLICS-YLJLNXRRSA-N	-1	1	378.809	2.479	20	5		GEBDMM
NC(=O)c1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	ZINC000809824640	653302700	/nfs/dbraw/zinc/30/27/00/653302700.db2.gz	SIZRMNJVRJTUMD-UHFFFAOYSA-N	-1	1	394.192	2.072	20	5		GEBDMM
C[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[S@](C)=O	ZINC000809827255	653303743	/nfs/dbraw/zinc/30/37/43/653303743.db2.gz	IBDHXNCZNGWNAH-QFWYVNQISA-N	-1	1	389.282	2.337	20	5		GEBDMM
CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)[C@@H]1OC	ZINC000809831129	653305668	/nfs/dbraw/zinc/30/56/68/653305668.db2.gz	QUCHWSGEHGMBNS-XWIASGKRSA-N	-1	1	399.252	2.372	20	5		GEBDMM
Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1[C@H](C)O	ZINC000775592013	653318552	/nfs/dbraw/zinc/31/85/52/653318552.db2.gz	KWYGZAUKOYLJLN-JTQLQIEISA-N	-1	1	385.829	2.483	20	5		GEBDMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c([N+](=O)[O-])c1	ZINC000811832405	653408805	/nfs/dbraw/zinc/40/88/05/653408805.db2.gz	QOYMLIWHSSCXBC-UHFFFAOYSA-N	-1	1	381.248	2.046	20	5		GEBDMM
O=C([O-])C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)F	ZINC000837292192	653422087	/nfs/dbraw/zinc/42/20/87/653422087.db2.gz	ICWXETNKADIJBD-RXMQYKEDSA-N	-1	1	390.723	2.022	20	5		GEBDMM
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000859422035	653461164	/nfs/dbraw/zinc/46/11/64/653461164.db2.gz	GIQNIWVIMTTZIO-WAAGHKOSSA-N	-1	1	379.232	2.061	20	5		GEBDMM
NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	ZINC000815080133	653650330	/nfs/dbraw/zinc/65/03/30/653650330.db2.gz	HWIYLFMBSMHVOY-LBPRGKRZSA-N	-1	1	383.813	2.143	20	5		GEBDMM
CC(C)C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-]	ZINC000818431583	653731546	/nfs/dbraw/zinc/73/15/46/653731546.db2.gz	WFIDKTRIEGXREQ-QMMMGPOBSA-N	-1	1	382.797	2.413	20	5		GEBDMM
CC(C)(C)OC(=O)NC/C=C/C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000790437882	653791806	/nfs/dbraw/zinc/79/18/06/653791806.db2.gz	SOHIHBNKADJYNY-SNAWJCMRSA-N	-1	1	377.444	2.016	20	5		GEBDMM
CC(C)(C)OC(=O)NC/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000790437880	653791929	/nfs/dbraw/zinc/79/19/29/653791929.db2.gz	SOHIHBNKADJYNY-PLNGDYQASA-N	-1	1	377.444	2.016	20	5		GEBDMM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCSC3)C2)cc1F	ZINC000866985436	653860408	/nfs/dbraw/zinc/86/04/08/653860408.db2.gz	HMHBKHDKKFKLML-XHDPSFHLSA-N	-1	1	390.458	2.375	20	5		GEBDMM
CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000845969977	653874352	/nfs/dbraw/zinc/87/43/52/653874352.db2.gz	WBLXDJUEXZOOAS-MWLCHTKSSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1(CO)CCC1	ZINC000846017636	653880904	/nfs/dbraw/zinc/88/09/04/653880904.db2.gz	DWFDAUWWHSWNTE-UHFFFAOYSA-N	-1	1	393.259	2.188	20	5		GEBDMM
CC[C@H](O)CCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000795861972	653972299	/nfs/dbraw/zinc/97/22/99/653972299.db2.gz	PMSBRLBQSUHKOE-QMMMGPOBSA-N	-1	1	399.238	2.326	20	5		GEBDMM
CO[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C(C)C	ZINC000795868794	653973019	/nfs/dbraw/zinc/97/30/19/653973019.db2.gz	SXRQOCLLOKVHFS-NSHDSACASA-N	-1	1	399.238	2.446	20	5		GEBDMM
O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC=CO1	ZINC000795945407	653979411	/nfs/dbraw/zinc/97/94/11/653979411.db2.gz	UMMXCZAFWRLILF-MRVPVSSYSA-N	-1	1	395.206	2.467	20	5		GEBDMM
COCC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CCC1	ZINC000795975222	653980773	/nfs/dbraw/zinc/98/07/73/653980773.db2.gz	LNENADIZMLZNIP-UHFFFAOYSA-N	-1	1	397.222	2.344	20	5		GEBDMM
CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000828076322	654020998	/nfs/dbraw/zinc/02/09/98/654020998.db2.gz	VKMIGPYEZXLQEI-ONGXEEELSA-N	-1	1	395.275	2.433	20	5		GEBDMM
O=C(C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)N1CCCCC1	ZINC000829979531	654088771	/nfs/dbraw/zinc/08/87/71/654088771.db2.gz	GHUJJBUNCTYZKW-UHFFFAOYSA-N	-1	1	396.252	2.192	20	5		GEBDMM
C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[S@@](C)=O	ZINC000830898028	654149038	/nfs/dbraw/zinc/14/90/38/654149038.db2.gz	UMHRNQPVAKSOAS-MWAODPMSSA-N	-1	1	389.282	2.337	20	5		GEBDMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)c1Cl	ZINC000831157965	654167896	/nfs/dbraw/zinc/16/78/96/654167896.db2.gz	AFVYDLLEWLFRJR-QMMMGPOBSA-N	-1	1	391.236	2.391	20	5		GEBDMM
Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000831539035	654190737	/nfs/dbraw/zinc/19/07/37/654190737.db2.gz	LSIDNZYSSVLSHJ-UHFFFAOYSA-N	-1	1	376.797	2.330	20	5		GEBDMM
Cn1[n-]cc2c(=NC(=O)c3cccc([N+](=O)[O-])c3Br)ccnc1-2	ZINC000801704325	654204839	/nfs/dbraw/zinc/20/48/39/654204839.db2.gz	IPTWJCVZEZWQRR-UHFFFAOYSA-N	-1	1	376.170	2.265	20	5		GEBDMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1Cl	ZINC000920246037	654205903	/nfs/dbraw/zinc/20/59/03/654205903.db2.gz	WMWJQIGCOXBYNM-UHFFFAOYSA-N	-1	1	380.773	2.025	20	5		GEBDMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000831902675	654216980	/nfs/dbraw/zinc/21/69/80/654216980.db2.gz	LWJLLMGPRAFLNA-RKDXNWHRSA-N	-1	1	379.460	2.236	20	5		GEBDMM
CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000832066748	654230472	/nfs/dbraw/zinc/23/04/72/654230472.db2.gz	MKJIHNXOPPCKBM-QPUJVOFHSA-N	-1	1	399.252	2.231	20	5		GEBDMM
CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000832066745	654230486	/nfs/dbraw/zinc/23/04/86/654230486.db2.gz	MKJIHNXOPPCKBM-PELKAZGASA-N	-1	1	399.252	2.231	20	5		GEBDMM
COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000832236424	654250681	/nfs/dbraw/zinc/25/06/81/654250681.db2.gz	IFDXGWWTPWDWCL-MNOVXSKESA-N	-1	1	376.818	2.258	20	5		GEBDMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]([C@@H]2CCOC2)C(F)(F)F)ccc1Cl	ZINC000903652543	654273148	/nfs/dbraw/zinc/27/31/48/654273148.db2.gz	KKEVRMCVCBWDOE-HQJQHLMTSA-N	-1	1	388.751	2.494	20	5		GEBDMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1COC[C@H]1C1CC1	ZINC000908408478	654627185	/nfs/dbraw/zinc/62/71/85/654627185.db2.gz	HRUBVAZJGLZQSM-WDEREUQCSA-N	-1	1	391.243	2.061	20	5		GEBDMM