smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000067874487	523615772	/nfs/dbraw/zinc/61/57/72/523615772.db2.gz	FWKZECSJFPHUBD-UHFFFAOYSA-N	-1	2	371.758	1.854	20	5		FDBDLM
CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000461453068	538516802	/nfs/dbraw/zinc/51/68/02/538516802.db2.gz	LRUKJUMGTKOIGA-UHFFFAOYSA-N	-1	2	367.339	1.166	20	5		FDBDLM
COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1O	ZINC000484238013	538764635	/nfs/dbraw/zinc/76/46/35/538764635.db2.gz	ZGRAAYOILBNWRQ-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	ZINC000592350543	551983378	/nfs/dbraw/zinc/98/33/78/551983378.db2.gz	PJANZNCYFRMANJ-AWEZNQCLSA-N	-1	2	360.388	1.484	20	5		FDBDLM
O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1	ZINC000599391703	553043695	/nfs/dbraw/zinc/04/36/95/553043695.db2.gz	QKMGJYPNLGFWTQ-ZDUSSCGKSA-N	-1	2	354.432	1.675	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)ccc1[N+](=O)[O-]	ZINC000832097529	602304084	/nfs/dbraw/zinc/30/40/84/602304084.db2.gz	FQEZXCAKVOZBBH-UHFFFAOYSA-N	-1	2	373.368	1.488	20	5		FDBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000536994430	540670014	/nfs/dbraw/zinc/67/00/14/540670014.db2.gz	XFQJGQLLFUXCMV-UHFFFAOYSA-N	-1	2	354.344	1.390	20	5		FDBDLM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000565026827	547163457	/nfs/dbraw/zinc/16/34/57/547163457.db2.gz	YFFRKBFHWHQPCJ-ZETCQYMHSA-N	-1	2	367.749	1.797	20	5		FDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000737905571	600054373	/nfs/dbraw/zinc/05/43/73/600054373.db2.gz	LYSLLUAQTCYXKD-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
O=C([O-])CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000833231906	602105717	/nfs/dbraw/zinc/10/57/17/602105717.db2.gz	FMKXBBGGMSGSJN-UHFFFAOYSA-N	-1	2	372.384	1.654	20	5		FDBDLM
O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[N@@H+]1CCc2sccc2C1	ZINC000823624936	606702111	/nfs/dbraw/zinc/70/21/11/606702111.db2.gz	LIFRZJWCAABFCC-UHFFFAOYSA-N	-1	2	372.414	1.702	20	5		FDBDLM
Cc1onc(OC(F)F)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000788132733	932568178	/nfs/dbraw/zinc/56/81/78/932568178.db2.gz	RYMOSJQGJCIXSE-UHFFFAOYSA-N	-1	2	365.270	1.999	20	5		FDBDLM
CNS(=O)(=O)c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1O	ZINC000807385703	940343781	/nfs/dbraw/zinc/34/37/81/940343781.db2.gz	HCTLKGQMBCGINF-UHFFFAOYSA-N	-1	2	367.339	1.166	20	5		FDBDLM
O=C([O-])CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000833243753	604626092	/nfs/dbraw/zinc/62/60/92/604626092.db2.gz	KZIYIXJGAXGFQP-UHFFFAOYSA-N	-1	2	357.369	1.869	20	5		FDBDLM
O=C([O-])c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F	ZINC000326347265	676582347	/nfs/dbraw/zinc/58/23/47/676582347.db2.gz	XJVADYHCSSEEIH-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)ccc1[N+](=O)[O-]	ZINC000471122345	685111286	/nfs/dbraw/zinc/11/12/86/685111286.db2.gz	AKWURDUXLVZFCD-UHFFFAOYSA-N	-1	2	362.323	1.970	20	5		FDBDLM
CC(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000516901405	690007794	/nfs/dbraw/zinc/00/77/94/690007794.db2.gz	CFKCIFXOVHOHMZ-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
CCc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])c(C)nn2C)cc1[N+](=O)[O-]	ZINC001597562092	988303213	/nfs/dbraw/zinc/30/32/13/988303213.db2.gz	MBEDWODLGGSAJF-UHFFFAOYSA-N	-1	2	368.371	1.698	20	5		FDBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1C	ZINC000537640181	540755427	/nfs/dbraw/zinc/75/54/27/540755427.db2.gz	GUICMASJCSCSDK-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1F	ZINC000547866408	542468764	/nfs/dbraw/zinc/46/87/64/542468764.db2.gz	NXAAFKXZCSPCIU-LBPRGKRZSA-N	-1	2	372.305	1.977	20	5		FDBDLM
CC(C)n1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cn1	ZINC000547933557	542492440	/nfs/dbraw/zinc/49/24/40/542492440.db2.gz	VZWAKYDAZRDYFV-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000368392774	260176510	/nfs/dbraw/zinc/17/65/10/260176510.db2.gz	KPHDHMIFWVOFQJ-UHFFFAOYSA-N	-1	2	355.270	1.935	20	5		FDBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1[N+](=O)[O-]	ZINC000189316392	537026979	/nfs/dbraw/zinc/02/69/79/537026979.db2.gz	KKIWIQSUIBEASY-UHFFFAOYSA-N	-1	2	351.388	1.868	20	5		FDBDLM
Cc1cc([N-]S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C(N)=O)cc1F	ZINC000609911172	554436997	/nfs/dbraw/zinc/43/69/97/554436997.db2.gz	NTIVVLDZAUQMBN-UHFFFAOYSA-N	-1	2	369.330	1.648	20	5		FDBDLM
COc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000833733734	605330967	/nfs/dbraw/zinc/33/09/67/605330967.db2.gz	NVWRDQHZJPFAND-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447342921	682545379	/nfs/dbraw/zinc/54/53/79/682545379.db2.gz	LDZFDOBLHOSUSK-UHFFFAOYSA-N	-1	2	368.371	1.753	20	5		FDBDLM
CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1[NH+]1CCCC1	ZINC000275173729	181254072	/nfs/dbraw/zinc/25/40/72/181254072.db2.gz	XNBWSOSSWREQTR-UKRRQHHQSA-N	-1	2	351.428	1.952	20	5		FDBDLM
Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO	ZINC000295854667	184109246	/nfs/dbraw/zinc/10/92/46/184109246.db2.gz	XKXMWMCKKIHZKN-CYBMUJFWSA-N	-1	2	368.415	1.366	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832098002	602308893	/nfs/dbraw/zinc/30/88/93/602308893.db2.gz	RCIAVWKAKAJWRK-UHFFFAOYSA-N	-1	2	355.328	1.739	20	5		FDBDLM
O=C([O-])c1csc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1	ZINC000324092055	676567535	/nfs/dbraw/zinc/56/75/35/676567535.db2.gz	HJNJNLHIZXEMPW-UHFFFAOYSA-N	-1	2	361.332	1.367	20	5		FDBDLM
Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000533626035	540272611	/nfs/dbraw/zinc/27/26/11/540272611.db2.gz	BILUEFTYBLHUJV-UHFFFAOYSA-N	-1	2	372.746	1.724	20	5		FDBDLM
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1	ZINC000543665069	541629475	/nfs/dbraw/zinc/62/94/75/541629475.db2.gz	UKPCDILMFJQZQH-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
O=C([O-])C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000556774396	544199325	/nfs/dbraw/zinc/19/93/25/544199325.db2.gz	BFTTVGZCRFSOAD-ZCFIWIBFSA-N	-1	2	374.268	1.665	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1	ZINC000474418177	685406655	/nfs/dbraw/zinc/40/66/55/685406655.db2.gz	XQTYJJPDTBEDAR-UHFFFAOYSA-N	-1	2	363.311	1.365	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1	ZINC000474418177	685406659	/nfs/dbraw/zinc/40/66/59/685406659.db2.gz	XQTYJJPDTBEDAR-UHFFFAOYSA-N	-1	2	363.311	1.365	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)ccc1[N+](=O)[O-]	ZINC000463801321	684708318	/nfs/dbraw/zinc/70/83/18/684708318.db2.gz	SCGZHVRCAHKWJA-UHFFFAOYSA-N	-1	2	362.270	1.685	20	5		FDBDLM
O=C([O-])c1c(NS(=O)(=O)c2cnn(CC3CC3)c2)cccc1[N+](=O)[O-]	ZINC000777907178	1003097379	/nfs/dbraw/zinc/09/73/79/1003097379.db2.gz	LEBYGRDJLWURGM-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1[N+](=O)[O-]	ZINC000590741462	551810041	/nfs/dbraw/zinc/81/00/41/551810041.db2.gz	DYDLYCADYXDBCD-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000603981030	553834487	/nfs/dbraw/zinc/83/44/87/553834487.db2.gz	KQYGPKBQDIIFTM-UHFFFAOYSA-N	-1	2	355.303	1.339	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1	ZINC000610574672	554532997	/nfs/dbraw/zinc/53/29/97/554532997.db2.gz	HCSZXIIYISUJPF-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1[N+](=O)[O-]	ZINC000738069901	600054380	/nfs/dbraw/zinc/05/43/80/600054380.db2.gz	OAANPRYVYDOQMJ-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1[N+](=O)[O-]	ZINC000829217165	604300849	/nfs/dbraw/zinc/30/08/49/604300849.db2.gz	IRQHJKIXDTZEMH-UHFFFAOYSA-N	-1	2	368.327	1.889	20	5		FDBDLM
CC(C)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC000833494179	605327850	/nfs/dbraw/zinc/32/78/50/605327850.db2.gz	IMCPNLJLEDQPLG-UHFFFAOYSA-N	-1	2	368.371	1.946	20	5		FDBDLM
Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C1CC1	ZINC000769869773	929738119	/nfs/dbraw/zinc/73/81/19/929738119.db2.gz	RVBWEZCBXZREAH-UHFFFAOYSA-N	-1	2	366.355	1.705	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC001599345429	997996508	/nfs/dbraw/zinc/99/65/08/997996508.db2.gz	KQSDBQZGOJVQIN-UHFFFAOYSA-N	-1	2	355.328	1.441	20	5		FDBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1C	ZINC000536990496	540668840	/nfs/dbraw/zinc/66/88/40/540668840.db2.gz	DEJJEPMJKSRAOS-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1	ZINC000548262493	542603974	/nfs/dbraw/zinc/60/39/74/542603974.db2.gz	MFMOAXMHYZTCGA-JTQLQIEISA-N	-1	2	360.344	1.900	20	5		FDBDLM
O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000833294177	601857594	/nfs/dbraw/zinc/85/75/94/601857594.db2.gz	HEQYPRJNYILULL-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447342449	682545398	/nfs/dbraw/zinc/54/53/98/682545398.db2.gz	SXSOXKWGGRXESO-UHFFFAOYSA-N	-1	2	367.339	1.806	20	5		FDBDLM
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1	ZINC000289346612	1000091907	/nfs/dbraw/zinc/09/19/07/1000091907.db2.gz	FQRRQMIMUMAVHW-UHFFFAOYSA-N	-1	2	360.374	1.133	20	5		FDBDLM
CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1[NH+]1CCCC1	ZINC000275173730	181254148	/nfs/dbraw/zinc/25/41/48/181254148.db2.gz	XNBWSOSSWREQTR-ZFWWWQNUSA-N	-1	2	351.428	1.952	20	5		FDBDLM
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000410406014	262166898	/nfs/dbraw/zinc/16/68/98/262166898.db2.gz	SBZDIZMWYOXGDL-UHFFFAOYSA-N	-1	2	369.355	1.831	20	5		FDBDLM
COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000488986574	687071693	/nfs/dbraw/zinc/07/16/93/687071693.db2.gz	VUTAHJRNLFLVDT-VIFPVBQESA-N	-1	2	356.360	1.505	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2ncccc12	ZINC000392912177	678792738	/nfs/dbraw/zinc/79/27/38/678792738.db2.gz	SVQSDSSOHATJGU-UHFFFAOYSA-N	-1	2	362.323	1.970	20	5		FDBDLM
Cn1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000536993446	540669487	/nfs/dbraw/zinc/66/94/87/540669487.db2.gz	USPPGRLOERBJQY-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000392352299	537777355	/nfs/dbraw/zinc/77/73/55/537777355.db2.gz	KXYQMAYJRUWQOA-UHFFFAOYSA-N	-1	2	352.324	1.728	20	5		FDBDLM
NC(=O)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000737739170	599096263	/nfs/dbraw/zinc/09/62/63/599096263.db2.gz	WWBOQLGSXZTVHB-AWEZNQCLSA-N	-1	2	353.342	1.091	20	5		FDBDLM
COc1cncc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1	ZINC000543769901	541658439	/nfs/dbraw/zinc/65/84/39/541658439.db2.gz	KNFHEDXPJZXRTN-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000410412349	262167295	/nfs/dbraw/zinc/16/72/95/262167295.db2.gz	BHWLLOBTYMOYGL-UHFFFAOYSA-N	-1	2	354.344	1.390	20	5		FDBDLM
CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(=O)[O-]	ZINC000325972273	676579695	/nfs/dbraw/zinc/57/96/95/676579695.db2.gz	WHTRGVCDFWCWHZ-UHFFFAOYSA-N	-1	2	355.328	1.621	20	5		FDBDLM
Cc1oc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000326885889	676586488	/nfs/dbraw/zinc/58/64/88/676586488.db2.gz	YFOGKRXGEAVLGZ-UHFFFAOYSA-N	-1	2	358.303	1.812	20	5		FDBDLM
CC(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000515504413	689866367	/nfs/dbraw/zinc/86/63/67/689866367.db2.gz	NVADLKYKDZPRLU-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
CCCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000760361366	839901311	/nfs/dbraw/zinc/90/13/11/839901311.db2.gz	DRTWYOPMMMFGLZ-UHFFFAOYSA-N	-1	2	354.344	1.700	20	5		FDBDLM
CCCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1	ZINC001596115639	983445405	/nfs/dbraw/zinc/44/54/05/983445405.db2.gz	DSACQTRWSHFHMT-UHFFFAOYSA-N	-1	2	354.344	1.700	20	5		FDBDLM
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547899231	542481419	/nfs/dbraw/zinc/48/14/19/542481419.db2.gz	WYHOHQKGLYXTRZ-APPZFPTMSA-N	-1	2	370.305	1.461	20	5		FDBDLM
Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000548196848	542581227	/nfs/dbraw/zinc/58/12/27/542581227.db2.gz	VYVMMVWCBNEGJG-UHFFFAOYSA-N	-1	2	372.746	1.724	20	5		FDBDLM
Cc1nn(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1C	ZINC000738919573	600127448	/nfs/dbraw/zinc/12/74/48/600127448.db2.gz	WRKLOQQGIVBNHR-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
CC(C)(C(=O)[O-])n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1	ZINC001589670832	987664990	/nfs/dbraw/zinc/66/49/90/987664990.db2.gz	HQLMPMQQWWNJGR-UHFFFAOYSA-N	-1	2	354.344	1.412	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCO2	ZINC000579981815	550930883	/nfs/dbraw/zinc/93/08/83/550930883.db2.gz	SPDDQTDHZZUNOK-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1[N+](=O)[O-]	ZINC000832097592	602308114	/nfs/dbraw/zinc/30/81/14/602308114.db2.gz	IHJGOPXMXXSZJZ-UHFFFAOYSA-N	-1	2	355.328	1.441	20	5		FDBDLM
COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000473478736	685299201	/nfs/dbraw/zinc/29/92/01/685299201.db2.gz	GITGGWVHLNIRLJ-UHFFFAOYSA-N	-1	2	370.343	1.144	20	5		FDBDLM
COc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471128043	685111335	/nfs/dbraw/zinc/11/13/35/685111335.db2.gz	WTKWQLYHQCJRNQ-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
CCc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])n2)cc1[N+](=O)[O-]	ZINC001597561877	988301443	/nfs/dbraw/zinc/30/14/43/988301443.db2.gz	BKMQTGVHEMWAJI-UHFFFAOYSA-N	-1	2	365.367	1.980	20	5		FDBDLM
COCCCn1cc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000296759555	184197541	/nfs/dbraw/zinc/19/75/41/184197541.db2.gz	QKHFARBHRIYQOZ-UHFFFAOYSA-N	-1	2	370.387	1.643	20	5		FDBDLM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccsc1	ZINC000548262494	542603984	/nfs/dbraw/zinc/60/39/84/542603984.db2.gz	MFMOAXMHYZTCGA-SNVBAGLBSA-N	-1	2	360.344	1.900	20	5		FDBDLM
COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432181952	538126398	/nfs/dbraw/zinc/12/63/98/538126398.db2.gz	IBFGKDCYTIZCML-UHFFFAOYSA-N	-1	2	367.339	1.806	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1	ZINC000590741464	551810155	/nfs/dbraw/zinc/81/01/55/551810155.db2.gz	GIODSUQDQMEECB-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)ccc1[N+](=O)[O-]	ZINC000610753736	554558136	/nfs/dbraw/zinc/55/81/36/554558136.db2.gz	MXKFMDPADLVDSB-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1O	ZINC000788167854	932593508	/nfs/dbraw/zinc/59/35/08/932593508.db2.gz	VUZRSDIPPCXUBR-UHFFFAOYSA-N	-1	2	367.339	1.166	20	5		FDBDLM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000774620251	962989104	/nfs/dbraw/zinc/98/91/04/962989104.db2.gz	AMXRNDIFOPPFSG-UHFFFAOYSA-N	-1	2	374.762	1.789	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001599622819	994107552	/nfs/dbraw/zinc/10/75/52/994107552.db2.gz	GYKILJCIKTYSAI-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
CCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1	ZINC001596115813	983445944	/nfs/dbraw/zinc/44/59/44/983445944.db2.gz	JDJAVLXMPWGIPD-UHFFFAOYSA-N	-1	2	354.344	1.700	20	5		FDBDLM
Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000537640161	540755370	/nfs/dbraw/zinc/75/53/70/540755370.db2.gz	FGUOGAZZOHSQKU-UHFFFAOYSA-N	-1	2	374.762	1.789	20	5		FDBDLM
Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432189629	538127601	/nfs/dbraw/zinc/12/76/01/538127601.db2.gz	BIAJFXCWFDHUMI-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
CC(C)n1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000485214459	600690731	/nfs/dbraw/zinc/69/07/31/600690731.db2.gz	ZCMYYOMWPVMQCT-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1[N+](=O)[O-]	ZINC000436996195	602307491	/nfs/dbraw/zinc/30/74/91/602307491.db2.gz	STLYRTKWOXYBMN-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
CCOC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]n1	ZINC000542836437	541483575	/nfs/dbraw/zinc/48/35/75/541483575.db2.gz	CBCKTLBJDHNCPA-UHFFFAOYSA-N	-1	2	356.316	1.001	20	5		FDBDLM
NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000438767619	538134531	/nfs/dbraw/zinc/13/45/31/538134531.db2.gz	RSGRSLMKANCXRK-UHFFFAOYSA-N	-1	2	371.758	1.854	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832481817	601602764	/nfs/dbraw/zinc/60/27/64/601602764.db2.gz	TYEPOJUBSMUWJF-UHFFFAOYSA-N	-1	2	359.341	1.559	20	5		FDBDLM
O=C([O-])CCc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000833244101	604626549	/nfs/dbraw/zinc/62/65/49/604626549.db2.gz	RMKAYDWZWMPNKL-UHFFFAOYSA-N	-1	2	357.369	1.869	20	5		FDBDLM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c([N+](=O)[O-])c1	ZINC000326668654	676585001	/nfs/dbraw/zinc/58/50/01/676585001.db2.gz	IGXXNPBAOPNMEY-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
COc1ccc(N)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001176680231	963509998	/nfs/dbraw/zinc/50/99/98/963509998.db2.gz	TYVBRTSGMLHZIW-UHFFFAOYSA-N	-1	2	367.339	1.685	20	5		FDBDLM
CC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1	ZINC001592131477	976966929	/nfs/dbraw/zinc/96/69/29/976966929.db2.gz	IPXABVQSQUGFEO-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C	ZINC000268345798	180058833	/nfs/dbraw/zinc/05/88/33/180058833.db2.gz	IMNHOHGSMCFGJE-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
Cn1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C(F)(F)F)n1	ZINC000545332536	541939637	/nfs/dbraw/zinc/93/96/37/541939637.db2.gz	SSBYQVXULWFCNI-UHFFFAOYSA-N	-1	2	366.277	1.854	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)ccc1[N+](=O)[O-]	ZINC000832098047	602304050	/nfs/dbraw/zinc/30/40/50/602304050.db2.gz	RXIDENRXCQVQDB-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C(=O)[O-]	ZINC000392239287	678787104	/nfs/dbraw/zinc/78/71/04/678787104.db2.gz	IQAXTUPODKOENE-UHFFFAOYSA-N	-1	2	369.355	1.924	20	5		FDBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)ccc1[O-]	ZINC000160271770	524846472	/nfs/dbraw/zinc/84/64/72/524846472.db2.gz	HAORIZQVCBSWPC-UHFFFAOYSA-N	-1	2	366.277	1.860	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000323833877	537617596	/nfs/dbraw/zinc/61/75/96/537617596.db2.gz	AAFUPERSTSLENL-UHFFFAOYSA-N	-1	2	355.328	1.441	20	5		FDBDLM
O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1	ZINC000324145396	600343529	/nfs/dbraw/zinc/34/35/29/600343529.db2.gz	TYYWJHQBVZLWOX-JTQLQIEISA-N	-1	2	360.344	1.900	20	5		FDBDLM
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000832885646	602317007	/nfs/dbraw/zinc/31/70/07/602317007.db2.gz	GKPYGOPSUAMQGF-UHFFFAOYSA-N	-1	2	374.762	1.639	20	5		FDBDLM
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000410407101	262166798	/nfs/dbraw/zinc/16/67/98/262166798.db2.gz	MXBIKBOFGCCJOB-UHFFFAOYSA-N	-1	2	355.328	1.821	20	5		FDBDLM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccs1	ZINC000324145397	600343453	/nfs/dbraw/zinc/34/34/53/600343453.db2.gz	TYYWJHQBVZLWOX-SNVBAGLBSA-N	-1	2	360.344	1.900	20	5		FDBDLM
CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1	ZINC000447343090	682545392	/nfs/dbraw/zinc/54/53/92/682545392.db2.gz	XOIXVZZRXRFLIL-UHFFFAOYSA-N	-1	2	354.344	1.619	20	5		FDBDLM
O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1)OCO2	ZINC000548197867	542581385	/nfs/dbraw/zinc/58/13/85/542581385.db2.gz	UFPCWKJQQJKQDG-UHFFFAOYSA-N	-1	2	372.336	1.884	20	5		FDBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)ccc1[O-]	ZINC000594697479	552357486	/nfs/dbraw/zinc/35/74/86/552357486.db2.gz	YBJNUEQAEQSNEJ-UHFFFAOYSA-N	-1	2	368.371	1.649	20	5		FDBDLM
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1	ZINC000740187416	600513476	/nfs/dbraw/zinc/51/34/76/600513476.db2.gz	JGDBXHNLZZWDJB-UHFFFAOYSA-N	-1	2	362.323	1.742	20	5		FDBDLM
CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])no1	ZINC000833451551	605585231	/nfs/dbraw/zinc/58/52/31/605585231.db2.gz	XFZHMDXYVMZPFH-UHFFFAOYSA-N	-1	2	370.343	1.774	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000326656857	676584824	/nfs/dbraw/zinc/58/48/24/676584824.db2.gz	CPQCHPNOIGWUBP-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2O)ccc1[N+](=O)[O-]	ZINC000471128297	685111425	/nfs/dbraw/zinc/11/14/25/685111425.db2.gz	YECYDNYQHVNOEU-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
COCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	ZINC000815036321	941767018	/nfs/dbraw/zinc/76/70/18/941767018.db2.gz	UXNRHVCDUITIGM-UHFFFAOYSA-N	-1	2	369.802	1.244	20	5		FDBDLM
COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])c1	ZINC000738069960	600054515	/nfs/dbraw/zinc/05/45/15/600054515.db2.gz	SXWZEJKWEHGRJW-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C(=O)[O-]	ZINC000833734401	605486457	/nfs/dbraw/zinc/48/64/57/605486457.db2.gz	BQGXTFUVGQNCJT-UHFFFAOYSA-N	-1	2	367.339	1.806	20	5		FDBDLM
CCc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cn1	ZINC000447002276	682523054	/nfs/dbraw/zinc/52/30/54/682523054.db2.gz	ZVSTULBKJYPSBV-UHFFFAOYSA-N	-1	2	366.355	1.755	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2O)c1	ZINC000469004659	684942013	/nfs/dbraw/zinc/94/20/13/684942013.db2.gz	QAPHUIOZGHIDEV-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
CCc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(C)n1	ZINC001597482659	987979705	/nfs/dbraw/zinc/97/97/05/987979705.db2.gz	QNPAXSQKBKTEQD-UHFFFAOYSA-N	-1	2	354.344	1.390	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC001599345982	998007704	/nfs/dbraw/zinc/00/77/04/998007704.db2.gz	XLKCTTBYTYQFLB-UHFFFAOYSA-N	-1	2	359.341	1.559	20	5		FDBDLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C2CC2)n1	ZINC000451052784	538181073	/nfs/dbraw/zinc/18/10/73/538181073.db2.gz	XBNFDRRMUPWFEW-UHFFFAOYSA-N	-1	2	366.355	1.705	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000832481613	601783178	/nfs/dbraw/zinc/78/31/78/601783178.db2.gz	NHRHMIJRADOENE-UHFFFAOYSA-N	-1	2	355.328	1.441	20	5		FDBDLM
COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832468953	602155778	/nfs/dbraw/zinc/15/57/78/602155778.db2.gz	VYWWGPSCFPEPCV-UHFFFAOYSA-N	-1	2	359.341	1.559	20	5		FDBDLM
COC(=O)c1nscc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499261299	687926899	/nfs/dbraw/zinc/92/68/99/687926899.db2.gz	CLCFTJUZMSGTSH-UHFFFAOYSA-N	-1	2	373.368	1.653	20	5		FDBDLM
O=C([O-])[C@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000275229656	181265321	/nfs/dbraw/zinc/26/53/21/181265321.db2.gz	JGIIDRFIGUZMMT-LURJTMIESA-N	-1	2	360.241	1.418	20	5		FDBDLM
C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1	ZINC000548123358	542562227	/nfs/dbraw/zinc/56/22/27/542562227.db2.gz	CDLBARRAQBIDAH-UHFFFAOYSA-N	-1	2	357.370	1.700	20	5		FDBDLM
CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000410412884	262166780	/nfs/dbraw/zinc/16/67/80/262166780.db2.gz	FVQDJXBIAFICRA-UHFFFAOYSA-N	-1	2	354.344	1.390	20	5		FDBDLM
CCO[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CC1	ZINC000600653068	553291995	/nfs/dbraw/zinc/29/19/95/553291995.db2.gz	ZLILTUJCBISHEW-CYBMUJFWSA-N	-1	2	358.372	1.850	20	5		FDBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cnc3n2CCC3)cc([N+](=O)[O-])c1	ZINC000485216043	686697015	/nfs/dbraw/zinc/69/70/15/686697015.db2.gz	YMFISXYCYDSXGR-UHFFFAOYSA-N	-1	2	352.328	1.237	20	5		FDBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1C	ZINC001597563668	988317131	/nfs/dbraw/zinc/31/71/31/988317131.db2.gz	SDXXZDGNKUOWPE-UHFFFAOYSA-N	-1	2	368.371	1.548	20	5		FDBDLM
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1O	ZINC000120717213	526162369	/nfs/dbraw/zinc/16/23/69/526162369.db2.gz	YPIRBBHYKWGHJD-MRXNPFEDSA-N	-1	2	371.393	1.797	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2O)c1	ZINC000481602446	538536390	/nfs/dbraw/zinc/53/63/90/538536390.db2.gz	UFVRBVZQXXHVSK-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
CC(C)n1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1	ZINC000479245243	538795788	/nfs/dbraw/zinc/79/57/88/538795788.db2.gz	CTUGWBOVAUMQII-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
COC1(CS(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1	ZINC000564554392	546950810	/nfs/dbraw/zinc/95/08/10/546950810.db2.gz	NRBFAQVFRZHPQR-UHFFFAOYSA-N	-1	2	358.372	1.994	20	5		FDBDLM
C[C@H](OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)C(=O)[O-]	ZINC001603277761	972502115	/nfs/dbraw/zinc/50/21/15/972502115.db2.gz	ZEAFTPABDIYWPK-LURJTMIESA-N	-1	2	355.690	1.769	20	5		FDBDLM
C[C@@H](OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)C(=O)[O-]	ZINC001603277762	972502207	/nfs/dbraw/zinc/50/22/07/972502207.db2.gz	ZEAFTPABDIYWPK-ZCFIWIBFSA-N	-1	2	355.690	1.769	20	5		FDBDLM
CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1C	ZINC001597939394	989918509	/nfs/dbraw/zinc/91/85/09/989918509.db2.gz	XTJQMDKJIKNEMI-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432189765	538127643	/nfs/dbraw/zinc/12/76/43/538127643.db2.gz	DACGKXWITQNWRN-UHFFFAOYSA-N	-1	2	368.371	1.946	20	5		FDBDLM
CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)C1CCOCC1	ZINC000592350544	551983392	/nfs/dbraw/zinc/98/33/92/551983392.db2.gz	PJANZNCYFRMANJ-CQSZACIVSA-N	-1	2	360.388	1.484	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)ccc1[N+](=O)[O-]	ZINC000610753598	554558106	/nfs/dbraw/zinc/55/81/06/554558106.db2.gz	QDXVIVUTSOMBFY-UHFFFAOYSA-N	-1	2	364.339	1.761	20	5		FDBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738396351	601047721	/nfs/dbraw/zinc/04/77/21/601047721.db2.gz	DBVDFSPAYLLWBS-UHFFFAOYSA-N	-1	2	358.307	1.124	20	5		FDBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2n(n1)CCCC2	ZINC000285034393	675786104	/nfs/dbraw/zinc/78/61/04/675786104.db2.gz	JDYHCRFFBFALDY-UHFFFAOYSA-N	-1	2	352.372	1.942	20	5		FDBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)[O-])c(C)nn1C	ZINC001597563795	988319321	/nfs/dbraw/zinc/31/93/21/988319321.db2.gz	WJIIWOWSXLNSDF-UHFFFAOYSA-N	-1	2	368.371	1.698	20	5		FDBDLM
CCn1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1C	ZINC000275207599	181260372	/nfs/dbraw/zinc/26/03/72/181260372.db2.gz	HJCQUMQYZQASKC-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000014372388	220123289	/nfs/dbraw/zinc/12/32/89/220123289.db2.gz	JHCYGNXXHSNQJX-UHFFFAOYSA-N	-1	2	360.351	1.871	20	5		FDBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000179407256	525578999	/nfs/dbraw/zinc/57/89/99/525578999.db2.gz	HDFKBUYDENBDFG-UHFFFAOYSA-N	-1	2	360.351	1.871	20	5		FDBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000599390051	553042820	/nfs/dbraw/zinc/04/28/20/553042820.db2.gz	HFVPUSGKFUGYDI-GFCCVEGCSA-N	-1	2	357.436	1.014	20	5		FDBDLM
Cc1c(NS(=O)(=O)c2cnc3n2CCC3)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000600659434	553293930	/nfs/dbraw/zinc/29/39/30/553293930.db2.gz	PIUWWZHBXFWUGB-UHFFFAOYSA-N	-1	2	366.355	1.545	20	5		FDBDLM
CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000509378097	538948467	/nfs/dbraw/zinc/94/84/67/538948467.db2.gz	JSPXLEXAOCTGMA-UHFFFAOYSA-N	-1	2	355.328	1.953	20	5		FDBDLM
COCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000270923254	674287110	/nfs/dbraw/zinc/28/71/10/674287110.db2.gz	ZWXZNZFSHWZVTR-UHFFFAOYSA-N	-1	2	356.360	1.253	20	5		FDBDLM
COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432181859	538126623	/nfs/dbraw/zinc/12/66/23/538126623.db2.gz	GWCXUDWZGSVFRH-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1	ZINC000599390052	553042866	/nfs/dbraw/zinc/04/28/66/553042866.db2.gz	HFVPUSGKFUGYDI-LBPRGKRZSA-N	-1	2	357.436	1.014	20	5		FDBDLM
COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000833733141	605167981	/nfs/dbraw/zinc/16/79/81/605167981.db2.gz	JCSASBUHLDFKLC-UHFFFAOYSA-N	-1	2	359.341	1.559	20	5		FDBDLM
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1	ZINC000436968945	681749157	/nfs/dbraw/zinc/74/91/57/681749157.db2.gz	WIWQJNCEWAYFBB-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C1CC1	ZINC000769871963	929738108	/nfs/dbraw/zinc/73/81/08/929738108.db2.gz	RNYRBJBAGLCGNJ-UHFFFAOYSA-N	-1	2	366.355	1.705	20	5		FDBDLM
Cn1c(Cl)ncc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000776560734	979284148	/nfs/dbraw/zinc/28/41/48/979284148.db2.gz	DWQJQTJZQYYJKU-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
O=C([O-])c1c(NS(=O)(=O)c2cccc3c2OCO3)cccc1[N+](=O)[O-]	ZINC000558693509	544507306	/nfs/dbraw/zinc/50/73/06/544507306.db2.gz	ZVQXRKFBSLAVKN-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
Cc1sc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-]	ZINC000123108992	524681105	/nfs/dbraw/zinc/68/11/05/524681105.db2.gz	PUQIGLXMQMVOFL-UHFFFAOYSA-N	-1	2	356.429	1.904	20	5		FDBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000164089313	525476093	/nfs/dbraw/zinc/47/60/93/525476093.db2.gz	RGIIPPNWFPAQBA-UHFFFAOYSA-N	-1	2	360.351	1.871	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2O)ccc1[N+](=O)[O-]	ZINC000481596532	538535360	/nfs/dbraw/zinc/53/53/60/538535360.db2.gz	RPJCYVFYHCDVMF-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000833744722	605290892	/nfs/dbraw/zinc/29/08/92/605290892.db2.gz	IKLFRLZSYIIAOQ-UHFFFAOYSA-N	-1	2	361.332	1.998	20	5		FDBDLM
CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000833451704	605342775	/nfs/dbraw/zinc/34/27/75/605342775.db2.gz	FTUWDKFOAGUJNZ-UHFFFAOYSA-N	-1	2	369.359	1.440	20	5		FDBDLM
Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc([N+](=O)[O-])c1F	ZINC000774623140	963003749	/nfs/dbraw/zinc/00/37/49/963003749.db2.gz	WAJWKPJEGQWDKD-UHFFFAOYSA-N	-1	2	358.307	1.275	20	5		FDBDLM
CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC001590841082	990710821	/nfs/dbraw/zinc/71/08/21/990710821.db2.gz	XRKNCVOUZJUGJB-UHFFFAOYSA-N	-1	2	363.248	1.689	20	5		FDBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)F)n1	ZINC000157295658	524247843	/nfs/dbraw/zinc/24/78/43/524247843.db2.gz	LFDUPUVSRABJOZ-UHFFFAOYSA-N	-1	2	362.314	1.871	20	5		FDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1	ZINC000832098196	601784397	/nfs/dbraw/zinc/78/43/97/601784397.db2.gz	YISCLGPGTJBPQC-UHFFFAOYSA-N	-1	2	355.328	1.441	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC001599345876	998005138	/nfs/dbraw/zinc/00/51/38/998005138.db2.gz	QRNVVSRUUSWOQG-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2n1CCC2	ZINC000548527600	542690737	/nfs/dbraw/zinc/69/07/37/542690737.db2.gz	PRPNSJKWGNJDCO-UHFFFAOYSA-N	-1	2	352.328	1.237	20	5		FDBDLM
CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000028810081	519251757	/nfs/dbraw/zinc/25/17/57/519251757.db2.gz	PEEGSOURSGPEJX-UHFFFAOYSA-N	-1	2	351.340	1.461	20	5		FDBDLM
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471117601	685110700	/nfs/dbraw/zinc/11/07/00/685110700.db2.gz	VXDNDYWMNYHTBW-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
O=C([O-])c1cc(NC(=O)C2CCN(c3cnccn3)CC2)cc([N+](=O)[O-])c1	ZINC000833300625	600975244	/nfs/dbraw/zinc/97/52/44/600975244.db2.gz	NJMYHCQSXOKJDW-UHFFFAOYSA-N	-1	2	371.353	1.938	20	5		FDBDLM
COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000488986571	687071754	/nfs/dbraw/zinc/07/17/54/687071754.db2.gz	VUTAHJRNLFLVDT-SECBINFHSA-N	-1	2	356.360	1.505	20	5		FDBDLM
COCCCn1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000265221799	179315475	/nfs/dbraw/zinc/31/54/75/179315475.db2.gz	DNHVPICAFWGWPE-UHFFFAOYSA-N	-1	2	356.360	1.334	20	5		FDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C	ZINC000295245363	184049526	/nfs/dbraw/zinc/04/95/26/184049526.db2.gz	VSNRHSXMNTUSLS-UHFFFAOYSA-N	-1	2	369.403	1.162	20	5		FDBDLM
CCn1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C	ZINC000484540322	600689911	/nfs/dbraw/zinc/68/99/11/600689911.db2.gz	NESJMPIEDLOVCG-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
COC(=O)c1nscc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000479959031	686071106	/nfs/dbraw/zinc/07/11/06/686071106.db2.gz	DKXVWUOQDFCMDR-UHFFFAOYSA-N	-1	2	359.341	1.344	20	5		FDBDLM
CC(C)n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001592170163	977068986	/nfs/dbraw/zinc/06/89/86/977068986.db2.gz	XHBXYDWZVYMOIX-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOC(F)(F)F	ZINC000564554804	546952112	/nfs/dbraw/zinc/95/21/12/546952112.db2.gz	PYXQPUIFHFHPPH-UHFFFAOYSA-N	-1	2	358.250	1.571	20	5		FDBDLM
CCn1ncc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1	ZINC001597957417	989970154	/nfs/dbraw/zinc/97/01/54/989970154.db2.gz	UWLZIWNNYHUKSW-UHFFFAOYSA-N	-1	2	354.344	1.619	20	5		FDBDLM
COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001599290937	997062827	/nfs/dbraw/zinc/06/28/27/997062827.db2.gz	IQRIFPZOPZLPEQ-UHFFFAOYSA-N	-1	2	367.339	1.635	20	5		FDBDLM
CC(C)(C(=O)[O-])n1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1	ZINC001589671285	987668952	/nfs/dbraw/zinc/66/89/52/987668952.db2.gz	XWBZEESYMHTIGI-UHFFFAOYSA-N	-1	2	354.344	1.412	20	5		FDBDLM
C[NH+]1CCN(c2ccccc2-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)CC1	ZINC001212892927	1007042093	/nfs/dbraw/zinc/04/20/93/1007042093.db2.gz	CVSKYVRVRRDLHW-UHFFFAOYSA-N	-1	2	355.358	1.787	20	5		FDBDLM
O=C([O-])c1c(NS(=O)(=O)c2cnc3n2CCC3)cccc1[N+](=O)[O-]	ZINC000548556299	542702084	/nfs/dbraw/zinc/70/20/84/542702084.db2.gz	WKELACDSDKPGBF-UHFFFAOYSA-N	-1	2	352.328	1.237	20	5		FDBDLM
O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000552227992	543440736	/nfs/dbraw/zinc/44/07/36/543440736.db2.gz	SYWQFBNYZPSCJM-LJQANCHMSA-N	-1	2	371.393	1.667	20	5		FDBDLM
CCc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000446991668	682521696	/nfs/dbraw/zinc/52/16/96/682521696.db2.gz	YPXKFUFZMNNDJU-UHFFFAOYSA-N	-1	2	352.328	1.446	20	5		FDBDLM
COc1ccc(O)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000539400055	540955505	/nfs/dbraw/zinc/95/55/05/540955505.db2.gz	SVPHPIJQLACBJF-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
COc1cncc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000410387617	262165655	/nfs/dbraw/zinc/16/56/55/262165655.db2.gz	ZMWDABKBXBSGIR-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c[nH]nc32)c1	ZINC000432178129	538125173	/nfs/dbraw/zinc/12/51/73/538125173.db2.gz	RUOBUKJJTHPSKN-UHFFFAOYSA-N	-1	2	362.323	1.970	20	5		FDBDLM
O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1	ZINC000599391702	553043475	/nfs/dbraw/zinc/04/34/75/553043475.db2.gz	QKMGJYPNLGFWTQ-CYBMUJFWSA-N	-1	2	354.432	1.675	20	5		FDBDLM
O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000485296637	686705784	/nfs/dbraw/zinc/70/57/84/686705784.db2.gz	UXWUWEQKUZAQLT-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000489038919	687073799	/nfs/dbraw/zinc/07/37/99/687073799.db2.gz	JFHGTUQXYJBCIQ-SNVBAGLBSA-N	-1	2	370.387	1.814	20	5		FDBDLM
O=C([O-])Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000562227117	546061964	/nfs/dbraw/zinc/06/19/64/546061964.db2.gz	PGAKKWWPRGLBJM-UHFFFAOYSA-N	-1	2	352.324	1.728	20	5		FDBDLM
COCCOc1ncccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000609068924	554335606	/nfs/dbraw/zinc/33/56/06/554335606.db2.gz	ZLDOSQHVCROGIH-UHFFFAOYSA-N	-1	2	369.355	1.521	20	5		FDBDLM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000833744460	605289394	/nfs/dbraw/zinc/28/93/94/605289394.db2.gz	AXBTYCJFOYSXOE-UHFFFAOYSA-N	-1	2	358.307	1.124	20	5		FDBDLM
Cn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(F)(F)F	ZINC000436182601	681673971	/nfs/dbraw/zinc/67/39/71/681673971.db2.gz	HALOVAGRAQYODC-UHFFFAOYSA-N	-1	2	366.277	1.854	20	5		FDBDLM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cnn1C	ZINC000464837432	684762606	/nfs/dbraw/zinc/76/26/06/684762606.db2.gz	XIBPRZWBYKRCEX-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
COC[C@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000489038918	687073671	/nfs/dbraw/zinc/07/36/71/687073671.db2.gz	JFHGTUQXYJBCIQ-JTQLQIEISA-N	-1	2	370.387	1.814	20	5		FDBDLM
Cc1cc(O)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1C(=O)NC2	ZINC000513338167	538993904	/nfs/dbraw/zinc/99/39/04/538993904.db2.gz	KCDBERWAMBTYCN-UHFFFAOYSA-N	-1	2	363.351	1.653	20	5		FDBDLM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1	ZINC000575126479	550430393	/nfs/dbraw/zinc/43/03/93/550430393.db2.gz	FUATUVYTSRADCL-UHFFFAOYSA-N	-1	2	367.749	1.797	20	5		FDBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1[N+](=O)[O-]	ZINC000616244667	555283904	/nfs/dbraw/zinc/28/39/04/555283904.db2.gz	KCKGCRHWDAXVHB-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000619466733	555781696	/nfs/dbraw/zinc/78/16/96/555781696.db2.gz	MYDMJLMYWQBREF-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000832905921	601475257	/nfs/dbraw/zinc/47/52/57/601475257.db2.gz	ZDGDVCCZLUHRDN-UHFFFAOYSA-N	-1	2	354.344	1.294	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000832098137	602304297	/nfs/dbraw/zinc/30/42/97/602304297.db2.gz	VAROGYDLXHEGFC-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCO3)ccc1[N+](=O)[O-]	ZINC000542013818	541319901	/nfs/dbraw/zinc/31/99/01/541319901.db2.gz	RLRTXEVPTLEYGD-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000130377084	525750443	/nfs/dbraw/zinc/75/04/43/525750443.db2.gz	WSKIMPFAGRWNNI-UHFFFAOYSA-N	-1	2	360.351	1.871	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2OCO3)c1	ZINC000561623971	545913122	/nfs/dbraw/zinc/91/31/22/545913122.db2.gz	QOADBXNIBNQNSZ-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
CCOC1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)CCOCC1	ZINC000600636666	553290654	/nfs/dbraw/zinc/29/06/54/553290654.db2.gz	UURSBGABJHOVLW-UHFFFAOYSA-N	-1	2	360.388	1.628	20	5		FDBDLM
Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C2CC2)n1	ZINC000291210167	568078290	/nfs/dbraw/zinc/07/82/90/568078290.db2.gz	VLCSMOTXWOBWSS-UHFFFAOYSA-N	-1	2	366.355	1.705	20	5		FDBDLM
COCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000737836318	600204087	/nfs/dbraw/zinc/20/40/87/600204087.db2.gz	QNVDTXWGELCRTI-UHFFFAOYSA-N	-1	2	373.368	1.697	20	5		FDBDLM
COC(=O)c1csc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000531600437	694842746	/nfs/dbraw/zinc/84/27/46/694842746.db2.gz	CQIZCSPTGVMXEI-UHFFFAOYSA-N	-1	2	358.353	1.949	20	5		FDBDLM
COCc1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])s1	ZINC001599297749	997177384	/nfs/dbraw/zinc/17/73/84/997177384.db2.gz	SVMIPEHKQAOJHC-UHFFFAOYSA-N	-1	2	373.368	1.697	20	5		FDBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cccc3c2OCO3)cc([N+](=O)[O-])c1	ZINC000509091257	538942167	/nfs/dbraw/zinc/94/21/67/538942167.db2.gz	WWWQSNBBOUTKOR-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000547899232	542481781	/nfs/dbraw/zinc/48/17/81/542481781.db2.gz	WYHOHQKGLYXTRZ-CBAPKCEASA-N	-1	2	370.305	1.461	20	5		FDBDLM
Cc1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000548541998	542696990	/nfs/dbraw/zinc/69/69/90/542696990.db2.gz	GSZUCAIFAASYOL-UHFFFAOYSA-N	-1	2	369.330	1.614	20	5		FDBDLM
Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000561439729	545852977	/nfs/dbraw/zinc/85/29/77/545852977.db2.gz	MGRUNCANCYNUOT-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000327309440	676591172	/nfs/dbraw/zinc/59/11/72/676591172.db2.gz	PYCGHOBFZBXTRG-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c1	ZINC000285120875	537618978	/nfs/dbraw/zinc/61/89/78/537618978.db2.gz	PKHPQUJUNLLBBG-UHFFFAOYSA-N	-1	2	366.355	1.627	20	5		FDBDLM
O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000565026826	547163156	/nfs/dbraw/zinc/16/31/56/547163156.db2.gz	YFFRKBFHWHQPCJ-SSDOTTSWSA-N	-1	2	367.749	1.797	20	5		FDBDLM
O=C([O-])c1c(NS(=O)(=O)c2c[nH]c3ncccc23)cccc1[N+](=O)[O-]	ZINC000583599947	551374572	/nfs/dbraw/zinc/37/45/72/551374572.db2.gz	JGUDOHAHKAKLRY-UHFFFAOYSA-N	-1	2	362.323	1.970	20	5		FDBDLM
C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000594760563	552373948	/nfs/dbraw/zinc/37/39/48/552373948.db2.gz	QYTARRNLVGRILN-BETUJISGSA-N	-1	2	372.447	1.158	20	5		FDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832097581	601602993	/nfs/dbraw/zinc/60/29/93/601602993.db2.gz	HTZLGTNRZQHXOC-UHFFFAOYSA-N	-1	2	359.341	1.559	20	5		FDBDLM
COc1ccc(-c2nc(CNC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)n[nH]2)cc1	ZINC000365216318	785328572	/nfs/dbraw/zinc/32/85/72/785328572.db2.gz	AIAUSXZPTVMEGJ-UHFFFAOYSA-N	-1	2	370.325	1.419	20	5		FDBDLM
Cn1ncc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000769882380	929740692	/nfs/dbraw/zinc/74/06/92/929740692.db2.gz	QAIYBLXMMMRTPG-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000777937055	1003494839	/nfs/dbraw/zinc/49/48/39/1003494839.db2.gz	IYELIYQMZMSDKC-UHFFFAOYSA-N	-1	2	358.307	1.275	20	5		FDBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1C	ZINC000539192488	540932659	/nfs/dbraw/zinc/93/26/59/540932659.db2.gz	BSAYFBRSMDGEQP-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548216608	542589095	/nfs/dbraw/zinc/58/90/95/542589095.db2.gz	INEAQVKGNJSDLS-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000559315184	544640758	/nfs/dbraw/zinc/64/07/58/544640758.db2.gz	BHTOPNQBVFCBMJ-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C	ZINC000267504905	179852010	/nfs/dbraw/zinc/85/20/10/179852010.db2.gz	IHKHOUQZPUYUFG-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000619468293	555782427	/nfs/dbraw/zinc/78/24/27/555782427.db2.gz	PRJHGJAGMSEMGX-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000738864904	600055269	/nfs/dbraw/zinc/05/52/69/600055269.db2.gz	KROHURRNHGUQBP-UHFFFAOYSA-N	-1	2	361.332	1.998	20	5		FDBDLM
Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)[O-]	ZINC000738865443	600055326	/nfs/dbraw/zinc/05/53/26/600055326.db2.gz	NNGXCWUAVDLDMR-UHFFFAOYSA-N	-1	2	361.332	1.998	20	5		FDBDLM
O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000833318588	600867805	/nfs/dbraw/zinc/86/78/05/600867805.db2.gz	REMDQHYSFABHPT-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
O=c1nc(C2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)[nH][nH]1	ZINC000281001692	825847046	/nfs/dbraw/zinc/84/70/46/825847046.db2.gz	MPWUPJQROFWIRD-UHFFFAOYSA-N	-1	2	371.357	1.436	20	5		FDBDLM
COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000270867094	674279721	/nfs/dbraw/zinc/27/97/21/674279721.db2.gz	LEUIKLIOXGTTOC-UHFFFAOYSA-N	-1	2	370.387	1.643	20	5		FDBDLM
CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000032090811	519482127	/nfs/dbraw/zinc/48/21/27/519482127.db2.gz	BERQITVXXMTQQC-UHFFFAOYSA-N	-1	2	365.367	1.803	20	5		FDBDLM
COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000468922205	538767900	/nfs/dbraw/zinc/76/79/00/538767900.db2.gz	KSKLAQTYZJCZKJ-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1	ZINC000738072798	600054414	/nfs/dbraw/zinc/05/44/14/600054414.db2.gz	RACSCSNOWKSESD-UHFFFAOYSA-N	-1	2	373.368	1.867	20	5		FDBDLM
Cc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)ccc1[N+](=O)[O-]	ZINC000738251321	600203948	/nfs/dbraw/zinc/20/39/48/600203948.db2.gz	IUKOMSHUHLDGIB-UHFFFAOYSA-N	-1	2	357.369	1.788	20	5		FDBDLM
CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000032630055	519518190	/nfs/dbraw/zinc/51/81/90/519518190.db2.gz	CNPTXCQICBYIAM-UHFFFAOYSA-N	-1	2	365.367	1.851	20	5		FDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000619467584	555782475	/nfs/dbraw/zinc/78/24/75/555782475.db2.gz	QMTDWOQRDIYOAL-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
CC(C)n1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1	ZINC001592131295	976964638	/nfs/dbraw/zinc/96/46/38/976964638.db2.gz	HCOVCCWLLZAPTO-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC001599459365	998244626	/nfs/dbraw/zinc/24/46/26/998244626.db2.gz	KNYWHZDAYNOGAV-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1[NH+]1CCCC1	ZINC000275173728	181254270	/nfs/dbraw/zinc/25/42/70/181254270.db2.gz	XNBWSOSSWREQTR-HIFRSBDPSA-N	-1	2	351.428	1.952	20	5		FDBDLM
Cc1sc(S(=O)(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-]	ZINC000124168480	524920579	/nfs/dbraw/zinc/92/05/79/524920579.db2.gz	IWIYNOUENBOYFJ-LLVKDONJSA-N	-1	2	361.445	1.106	20	5		FDBDLM
Cn1c(Cl)ncc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000833039631	602201952	/nfs/dbraw/zinc/20/19/52/602201952.db2.gz	OXNMXDLGRNHSRV-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1	ZINC000610574688	554532853	/nfs/dbraw/zinc/53/28/53/554532853.db2.gz	UYXPHSDFJMSFJN-UHFFFAOYSA-N	-1	2	364.339	1.761	20	5		FDBDLM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(O)c1	ZINC000442842477	682185339	/nfs/dbraw/zinc/18/53/39/682185339.db2.gz	QBYDKSAIVOGGOM-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
COc1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000540983489	541130824	/nfs/dbraw/zinc/13/08/24/541130824.db2.gz	DWCVXNRFHMDKBC-UHFFFAOYSA-N	-1	2	353.312	1.497	20	5		FDBDLM
CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000280992982	258634041	/nfs/dbraw/zinc/63/40/41/258634041.db2.gz	MWPMQFVMJXWZGI-UHFFFAOYSA-N	-1	2	368.371	1.951	20	5		FDBDLM
O=C([O-])C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000556774395	544199037	/nfs/dbraw/zinc/19/90/37/544199037.db2.gz	BFTTVGZCRFSOAD-LURJTMIESA-N	-1	2	374.268	1.665	20	5		FDBDLM
O=[N+]([O-])c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(F)c1	ZINC000375107170	261270281	/nfs/dbraw/zinc/27/02/81/261270281.db2.gz	XSFOBJUKKJGKEW-UHFFFAOYSA-N	-1	2	354.363	1.745	20	5		FDBDLM
O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000600512848	553279613	/nfs/dbraw/zinc/27/96/13/553279613.db2.gz	GFKLSLCWPFHXFG-UHFFFAOYSA-N	-1	2	350.356	1.720	20	5		FDBDLM
COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1O	ZINC000484060723	686559773	/nfs/dbraw/zinc/55/97/73/686559773.db2.gz	PEYWUYDYSCQSOA-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000774622399	963000747	/nfs/dbraw/zinc/00/07/47/963000747.db2.gz	QPCZDXQKMFQDOP-UHFFFAOYSA-N	-1	2	358.307	1.275	20	5		FDBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1	ZINC000737268193	600529644	/nfs/dbraw/zinc/52/96/44/600529644.db2.gz	VWWWWUPUAMPMTA-UHFFFAOYSA-N	-1	2	354.344	1.239	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)ccc1[N+](=O)[O-]	ZINC000474409475	685405201	/nfs/dbraw/zinc/40/52/01/685405201.db2.gz	LQKDZPMEIDRGEC-UHFFFAOYSA-N	-1	2	363.311	1.365	20	5		FDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)ccc1[N+](=O)[O-]	ZINC000474409475	685405205	/nfs/dbraw/zinc/40/52/05/685405205.db2.gz	LQKDZPMEIDRGEC-UHFFFAOYSA-N	-1	2	363.311	1.365	20	5		FDBDLM
CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1[NH+]1CCCC1	ZINC000275173726	181254284	/nfs/dbraw/zinc/25/42/84/181254284.db2.gz	XNBWSOSSWREQTR-DZGCQCFKSA-N	-1	2	351.428	1.952	20	5		FDBDLM
CCc1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000533464613	540251506	/nfs/dbraw/zinc/25/15/06/540251506.db2.gz	CLSQHDHVEPCTIJ-UHFFFAOYSA-N	-1	2	352.328	1.446	20	5		FDBDLM
O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000552227991	543440606	/nfs/dbraw/zinc/44/06/06/543440606.db2.gz	SYWQFBNYZPSCJM-IBGZPJMESA-N	-1	2	371.393	1.667	20	5		FDBDLM
CCO[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-])C1CC1	ZINC000600653069	553291894	/nfs/dbraw/zinc/29/18/94/553291894.db2.gz	ZLILTUJCBISHEW-ZDUSSCGKSA-N	-1	2	358.372	1.850	20	5		FDBDLM
Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000600659583	553293749	/nfs/dbraw/zinc/29/37/49/553293749.db2.gz	PVSUHYQXDRWALT-UHFFFAOYSA-N	-1	2	368.371	1.753	20	5		FDBDLM
Cc1cnc(N)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000547870122	542470239	/nfs/dbraw/zinc/47/02/39/542470239.db2.gz	ZONFPKVLRDRWKT-UHFFFAOYSA-N	-1	2	352.328	1.379	20	5		FDBDLM
Cc1cccc([N-]S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C(N)=O	ZINC000603980906	553834577	/nfs/dbraw/zinc/83/45/77/553834577.db2.gz	ILOFMIZOMFFTBO-UHFFFAOYSA-N	-1	2	351.340	1.509	20	5		FDBDLM
Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-]	ZINC000921205470	887552150	/nfs/dbraw/zinc/55/21/50/887552150.db2.gz	XFMIOBTVHFYGAY-UHFFFAOYSA-N	-1	2	355.303	1.815	20	5		FDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC2CC2)c1	ZINC000777908791	1003116288	/nfs/dbraw/zinc/11/62/88/1003116288.db2.gz	NLOCZMITKOJYTI-UHFFFAOYSA-N	-1	2	366.355	1.700	20	5		FDBDLM
Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548223303	542591412	/nfs/dbraw/zinc/59/14/12/542591412.db2.gz	UVTFMPCXBCVAOQ-UHFFFAOYSA-N	-1	2	372.746	1.724	20	5		FDBDLM
O=[N+]([O-])c1ncccc1S(=O)(=O)NCc1nc(-c2ccccc2)n[nH]1	ZINC000742288610	926000942	/nfs/dbraw/zinc/00/09/42/926000942.db2.gz	JNSXNAFTSLTBAQ-UHFFFAOYSA-N	-1	2	360.355	1.253	20	5		FDBDLM
Cn1c(Cl)ncc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000776444219	977986635	/nfs/dbraw/zinc/98/66/35/977986635.db2.gz	LJAGJXSBZNMGRI-UHFFFAOYSA-N	-1	2	360.735	1.481	20	5		FDBDLM
CC(C)n1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1	ZINC000548197093	542581422	/nfs/dbraw/zinc/58/14/22/542581422.db2.gz	RFFIBBIKXTWNKG-UHFFFAOYSA-N	-1	2	354.344	1.871	20	5		FDBDLM
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000026539199	519128366	/nfs/dbraw/zinc/12/83/66/519128366.db2.gz	NXIWPXLWBYZOFM-UHFFFAOYSA-N	-1	2	351.340	1.509	20	5		FDBDLM
CC(C)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000471128237	685111232	/nfs/dbraw/zinc/11/12/32/685111232.db2.gz	XPHZCXVVVQDEQT-UHFFFAOYSA-N	-1	2	368.371	1.946	20	5		FDBDLM
C[C@@H]1C[N@@H+](CCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000820758761	945553195	/nfs/dbraw/zinc/55/31/95/945553195.db2.gz	CQEDANVPRJKDTB-PHIMTYICSA-N	-1	2	362.394	1.081	20	5		FDBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000538093040	540808109	/nfs/dbraw/zinc/80/81/09/540808109.db2.gz	LHOLHHGYINIYEQ-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000410414003	262166935	/nfs/dbraw/zinc/16/69/35/262166935.db2.gz	NNCFHTNZZCEHEH-UHFFFAOYSA-N	-1	2	368.371	1.698	20	5		FDBDLM
Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000479516651	686027969	/nfs/dbraw/zinc/02/79/69/686027969.db2.gz	VKAVKQUWPDGABJ-UHFFFAOYSA-N	-1	2	354.344	1.444	20	5		FDBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1O	ZINC000392321840	537777298	/nfs/dbraw/zinc/77/72/98/537777298.db2.gz	NBSAQIAJYGXBAR-UHFFFAOYSA-N	-1	2	356.287	1.939	20	5		FDBDLM
O=C([O-])Cc1ccccc1CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000583116069	551305681	/nfs/dbraw/zinc/30/56/81/551305681.db2.gz	OMYMSGHRNZCOGR-UHFFFAOYSA-N	-1	2	366.351	1.869	20	5		FDBDLM
O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])OCO2	ZINC000610483167	554517075	/nfs/dbraw/zinc/51/70/75/554517075.db2.gz	PAJFNQLCYHGPFS-UHFFFAOYSA-N	-1	2	366.307	1.823	20	5		FDBDLM
NC(=O)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1	ZINC000737739173	599096718	/nfs/dbraw/zinc/09/67/18/599096718.db2.gz	WWBOQLGSXZTVHB-CQSZACIVSA-N	-1	2	353.342	1.091	20	5		FDBDLM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C(F)F)c2)c1	ZINC000463781752	684706699	/nfs/dbraw/zinc/70/66/99/684706699.db2.gz	JYUKVJNHEANGAQ-UHFFFAOYSA-N	-1	2	362.270	1.685	20	5		FDBDLM
COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1[N+](=O)[O-]	ZINC000469026855	684943551	/nfs/dbraw/zinc/94/35/51/684943551.db2.gz	RQXRCIRKQWPOFK-UHFFFAOYSA-N	-1	2	368.323	1.808	20	5		FDBDLM
CC(C)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1	ZINC001591523732	992697957	/nfs/dbraw/zinc/69/79/57/992697957.db2.gz	OURWCARWRXDUBV-UHFFFAOYSA-N	-1	2	368.371	1.946	20	5		FDBDLM
CCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1C	ZINC000274887512	181186842	/nfs/dbraw/zinc/18/68/42/181186842.db2.gz	FGHCGNWGIDMWJS-UHFFFAOYSA-N	-1	2	368.371	1.927	20	5		FDBDLM
O=C([O-])[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000275229660	181265792	/nfs/dbraw/zinc/26/57/92/181265792.db2.gz	JGIIDRFIGUZMMT-ZCFIWIBFSA-N	-1	2	360.241	1.418	20	5		FDBDLM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1F	ZINC000547866407	542468704	/nfs/dbraw/zinc/46/87/04/542468704.db2.gz	NXAAFKXZCSPCIU-GFCCVEGCSA-N	-1	2	372.305	1.977	20	5		FDBDLM
Cn1nc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1OC(F)F	ZINC000488372782	490757900	/nfs/dbraw/zinc/75/79/00/490757900.db2.gz	VFBNZHLBZLHPAI-UHFFFAOYSA-N	-1	2	364.286	1.436	20	5		FDBDLM
Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C2CC2)n1	ZINC000291250698	537549103	/nfs/dbraw/zinc/54/91/03/537549103.db2.gz	YBLCBMIUKUXFOJ-UHFFFAOYSA-N	-1	2	366.355	1.705	20	5		FDBDLM
O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cccc(O)c1[N+](=O)[O-]	ZINC000600513167	553279418	/nfs/dbraw/zinc/27/94/18/553279418.db2.gz	KJRUPKDDIAXFLD-UHFFFAOYSA-N	-1	2	350.356	1.720	20	5		FDBDLM
O=C([O-])c1cc(NS(=O)(=O)c2c[nH]c3ncccc23)cc([N+](=O)[O-])c1	ZINC000485213447	600690780	/nfs/dbraw/zinc/69/07/80/600690780.db2.gz	SWZGNFOLFATEBC-UHFFFAOYSA-N	-1	2	362.323	1.970	20	5		FDBDLM
O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)n1	ZINC000832729549	605439932	/nfs/dbraw/zinc/43/99/32/605439932.db2.gz	FRBVYUHQWHXOGV-UHFFFAOYSA-N	-1	2	371.313	1.728	20	5		FDBDLM
O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)n[nH]1	ZINC000832729549	605439935	/nfs/dbraw/zinc/43/99/35/605439935.db2.gz	FRBVYUHQWHXOGV-UHFFFAOYSA-N	-1	2	371.313	1.728	20	5		FDBDLM