smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc([N+](=O)[O-])c1C	ZINC000327598731	498859381	/nfs/dbraw/zinc/85/93/81/498859381.db2.gz	JPEOMVLCTWFHQD-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000471992780	502194656	/nfs/dbraw/zinc/19/46/56/502194656.db2.gz	QAKCGAQYPMEDTG-UHFFFAOYSA-N	-2	1	354.409	3.132	20	5		FGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1	ZINC000484532546	502662623	/nfs/dbraw/zinc/66/26/23/502662623.db2.gz	AGEPWRCCAMPWJJ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552484815	505501417	/nfs/dbraw/zinc/50/14/17/505501417.db2.gz	SSLNZAFMVJHKTN-UHFFFAOYSA-N	-2	1	358.228	3.157	20	5		FGBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cccc1[N+](=O)[O-]	ZINC000575239177	505948616	/nfs/dbraw/zinc/94/86/16/505948616.db2.gz	VQURFMBLXVTXJR-UHFFFAOYSA-N	-2	1	372.305	3.031	20	5		FGBDML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000485213154	501757115	/nfs/dbraw/zinc/75/71/15/501757115.db2.gz	SOHQVKUXGSGLTD-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000479246167	502203910	/nfs/dbraw/zinc/20/39/10/502203910.db2.gz	PCEFKBRBWWEMEI-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000327325465	498855680	/nfs/dbraw/zinc/85/56/80/498855680.db2.gz	DGSBMMVDGRUMEM-LLVKDONJSA-N	-2	1	366.395	3.279	20	5		FGBDML
CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000327325467	498855708	/nfs/dbraw/zinc/85/57/08/498855708.db2.gz	DGSBMMVDGRUMEM-NSHDSACASA-N	-2	1	366.395	3.279	20	5		FGBDML
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1C	ZINC000447339603	500593951	/nfs/dbraw/zinc/59/39/51/500593951.db2.gz	HCTBVGMQKFFBSS-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1	ZINC000832905126	601475167	/nfs/dbraw/zinc/47/51/67/601475167.db2.gz	CQPQTYHBMLYKDB-UHFFFAOYSA-N	-2	1	365.367	3.102	20	5		FGBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000013263430	494283674	/nfs/dbraw/zinc/28/36/74/494283674.db2.gz	WZFAKFVQLOIICP-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl	ZINC000324901954	498831166	/nfs/dbraw/zinc/83/11/66/498831166.db2.gz	HZVGBTFVAOWBLW-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000542946005	504669351	/nfs/dbraw/zinc/66/93/51/504669351.db2.gz	DBUWCRAMHQWFOF-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc(C(=O)[O-])c1Cl	ZINC000759092648	722999411	/nfs/dbraw/zinc/99/94/11/722999411.db2.gz	XMRNIIOMVZSPOS-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1C	ZINC000013464545	494288630	/nfs/dbraw/zinc/28/86/30/494288630.db2.gz	IYYVPIOJVCVKDG-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000327622077	498860911	/nfs/dbraw/zinc/86/09/11/498860911.db2.gz	OMDDYFGVJUPHPY-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1	ZINC000544641185	504202466	/nfs/dbraw/zinc/20/24/66/504202466.db2.gz	QSWVMMFBXVLEIV-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000392862710	499559279	/nfs/dbraw/zinc/55/92/79/499559279.db2.gz	FIUSGIWDNYMBIE-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1	ZINC000499290235	503373117	/nfs/dbraw/zinc/37/31/17/503373117.db2.gz	IBSYYFGUBUPEQH-UHFFFAOYSA-N	-2	1	360.750	3.202	20	5		FGBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000547872200	504255960	/nfs/dbraw/zinc/25/59/60/504255960.db2.gz	SZDJDLRYPMFQLK-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1nc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2s1	ZINC000781116991	724529571	/nfs/dbraw/zinc/52/95/71/724529571.db2.gz	KKFHVUSSTCFZHX-UHFFFAOYSA-N	-2	1	365.392	3.019	20	5		FGBDML
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000485209844	501756711	/nfs/dbraw/zinc/75/67/11/501756711.db2.gz	BQMKDTJBEDHVRK-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
CC(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000471133826	501931243	/nfs/dbraw/zinc/93/12/43/501931243.db2.gz	OGMHOJITKMYVDV-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000548526234	504477974	/nfs/dbraw/zinc/47/79/74/504477974.db2.gz	BKVJGPBWNCGBPT-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1	ZINC000581625986	506030612	/nfs/dbraw/zinc/03/06/12/506030612.db2.gz	RZJQAHWIGJOLGH-UHFFFAOYSA-N	-2	1	372.305	3.031	20	5		FGBDML
CSc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000471960164	502183850	/nfs/dbraw/zinc/18/38/50/502183850.db2.gz	DWQCRDCEAWVNFJ-UHFFFAOYSA-N	-2	1	368.436	3.440	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000013349102	600807858	/nfs/dbraw/zinc/80/78/58/600807858.db2.gz	DUCGIPYTYPZJFX-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc([N+](=O)[O-])c1	ZINC000489417120	502952602	/nfs/dbraw/zinc/95/26/02/502952602.db2.gz	DARYPRAYOOORGM-UHFFFAOYSA-N	-2	1	372.305	3.031	20	5		FGBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000547880688	504257060	/nfs/dbraw/zinc/25/70/60/504257060.db2.gz	XEWBJXBAUPNOCK-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1[N+](=O)[O-]	ZINC000131398696	700814619	/nfs/dbraw/zinc/81/46/19/700814619.db2.gz	RNWHVGOQUMHKPB-UHFFFAOYSA-N	-2	1	360.750	3.202	20	5		FGBDML
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1conc1C(F)(F)F	ZINC000816961122	727210706	/nfs/dbraw/zinc/21/07/06/727210706.db2.gz	XNCYQGKVLCFMTA-UHFFFAOYSA-N	-2	1	351.624	3.213	20	5		FGBDML
Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1Cl	ZINC000832972407	729737047	/nfs/dbraw/zinc/73/70/47/729737047.db2.gz	AWFQEPSDFIJXFN-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000447339177	500593963	/nfs/dbraw/zinc/59/39/63/500593963.db2.gz	DUNAYTRZXGOFGP-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(C(=O)[O-])c1	ZINC000507652904	503339302	/nfs/dbraw/zinc/33/93/02/503339302.db2.gz	YNAHIEIVZDZCAC-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548218342	504370427	/nfs/dbraw/zinc/37/04/27/504370427.db2.gz	KHPDFFCQXPUQQH-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000013195075	494281735	/nfs/dbraw/zinc/28/17/35/494281735.db2.gz	CFTRPZDSXQLMCT-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc(C(=O)[O-])c1	ZINC000507554739	503320912	/nfs/dbraw/zinc/32/09/12/503320912.db2.gz	VJCCKOQWNDHLFZ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Cl	ZINC000547889415	504259135	/nfs/dbraw/zinc/25/91/35/504259135.db2.gz	ILDOCIGPQVEQEO-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000832905491	601475183	/nfs/dbraw/zinc/47/51/83/601475183.db2.gz	PALYEALNOCGKIF-UHFFFAOYSA-N	-2	1	365.367	3.102	20	5		FGBDML
O=C([O-])Nc1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c([O-])c1	ZINC000834257101	605660511	/nfs/dbraw/zinc/66/05/11/605660511.db2.gz	SPPHWWBUKLIGSD-UHFFFAOYSA-N	-2	1	371.349	3.195	20	5		FGBDML
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000325380444	498836244	/nfs/dbraw/zinc/83/62/44/498836244.db2.gz	SGQFYQBHGNTLTF-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)c1	ZINC000447343374	500594836	/nfs/dbraw/zinc/59/48/36/500594836.db2.gz	XIBKAZMIZTVEDP-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
COc1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(Cl)c1[O-]	ZINC000609337036	506858326	/nfs/dbraw/zinc/85/83/26/506858326.db2.gz	UZXXNXDHROUNNZ-NSCUHMNNSA-N	-2	1	350.714	3.226	20	5		FGBDML
O=C([O-])c1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cccc1[N+](=O)[O-]	ZINC000790618034	723159899	/nfs/dbraw/zinc/15/98/99/723159899.db2.gz	SUVJOVGJBGXUIR-UHFFFAOYSA-N	-2	1	372.305	3.031	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000324352494	498826875	/nfs/dbraw/zinc/82/68/75/498826875.db2.gz	GEEPCNGZQICNAY-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000432200271	500482847	/nfs/dbraw/zinc/48/28/47/500482847.db2.gz	FYWAKLMCKDDCNH-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013028021	695608786	/nfs/dbraw/zinc/60/87/86/695608786.db2.gz	FQLLEJZQLVUOMY-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000068239506	493783198	/nfs/dbraw/zinc/78/31/98/493783198.db2.gz	OVWFVDHVQDPDSW-UHFFFAOYSA-N	-2	1	374.827	3.477	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000327220493	498854766	/nfs/dbraw/zinc/85/47/66/498854766.db2.gz	IXUHSGVFLBBGSN-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)cc1C	ZINC000447340194	500593931	/nfs/dbraw/zinc/59/39/31/500593931.db2.gz	JLVPXLWHLNITLM-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000485225770	501762046	/nfs/dbraw/zinc/76/20/46/501762046.db2.gz	CCVXQSLTZZLEGI-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
CC(C)COc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000511149180	503268611	/nfs/dbraw/zinc/26/86/11/503268611.db2.gz	DLFNRULROOWSGG-UHFFFAOYSA-N	-2	1	366.395	3.136	20	5		FGBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000548531656	504477870	/nfs/dbraw/zinc/47/78/70/504477870.db2.gz	TYYQJOMZYYGGEJ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C(=O)[O-])c1	ZINC000327269994	498854208	/nfs/dbraw/zinc/85/42/08/498854208.db2.gz	GCBAQBDWTQRMSN-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000491571762	503320286	/nfs/dbraw/zinc/32/02/86/503320286.db2.gz	HMAGLWLJCRMNBV-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000541806634	504260667	/nfs/dbraw/zinc/26/06/67/504260667.db2.gz	PYYHJUHMQHUUMU-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1C(=O)[O-]	ZINC000538756169	504359744	/nfs/dbraw/zinc/35/97/44/504359744.db2.gz	LKUPTXGWZHKKNC-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000548538330	504478971	/nfs/dbraw/zinc/47/89/71/504478971.db2.gz	VMKQFVLSHILLMQ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc([O-])c(Br)c1	ZINC000255565611	497370257	/nfs/dbraw/zinc/37/02/57/497370257.db2.gz	BXGWTXYFOWXUNF-IWQZZHSRSA-N	-2	1	365.139	3.327	20	5		FGBDML
O=C([O-])c1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-]	ZINC000592970147	506316682	/nfs/dbraw/zinc/31/66/82/506316682.db2.gz	MHORBWMNWYGAGE-UHFFFAOYSA-N	-2	1	370.361	3.098	20	5		FGBDML
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)ccc1[O-]	ZINC000036342682	494090574	/nfs/dbraw/zinc/09/05/74/494090574.db2.gz	QFBUFVNCPCSBHQ-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
Cc1nc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2s1	ZINC000024101376	494606155	/nfs/dbraw/zinc/60/61/55/494606155.db2.gz	ZVUGPQZHIBXFBN-UHFFFAOYSA-N	-2	1	365.392	3.019	20	5		FGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-]	ZINC000436480339	501135757	/nfs/dbraw/zinc/13/57/57/501135757.db2.gz	VOXHWNOANFXRDH-UHFFFAOYSA-N	-2	1	356.787	3.371	20	5		FGBDML
CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485236843	501765295	/nfs/dbraw/zinc/76/52/95/501765295.db2.gz	LVNWKDXZECJJDE-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000484535050	502664002	/nfs/dbraw/zinc/66/40/02/502664002.db2.gz	DGUWQATZCBFVAM-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C([O-])c1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-]	ZINC000547902005	504260347	/nfs/dbraw/zinc/26/03/47/504260347.db2.gz	VKIUDUZUQNCLQK-UHFFFAOYSA-N	-2	1	372.358	3.247	20	5		FGBDML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000548538416	504479163	/nfs/dbraw/zinc/47/91/63/504479163.db2.gz	CPFFCNCKIOLYKK-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1	ZINC000548556000	504482343	/nfs/dbraw/zinc/48/23/43/504482343.db2.gz	JWTGJQPVAZNMHP-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
CCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000603977055	506677394	/nfs/dbraw/zinc/67/73/94/506677394.db2.gz	DTIICAUWMKTFPO-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)ccc1[O-]	ZINC000028791055	493801671	/nfs/dbraw/zinc/80/16/71/493801671.db2.gz	MTBDHRVOWYNKEK-UHFFFAOYSA-N	-2	1	370.386	3.353	20	5		FGBDML
Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000476281413	502442267	/nfs/dbraw/zinc/44/22/67/502442267.db2.gz	JQBWLSUCXJKABW-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21	ZINC000484591870	502679062	/nfs/dbraw/zinc/67/90/62/502679062.db2.gz	PJOIEKDRLSQRFF-UHFFFAOYSA-N	-2	1	374.374	3.268	20	5		FGBDML
Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000326945868	498850354	/nfs/dbraw/zinc/85/03/54/498850354.db2.gz	DJLARCOBJJQVOL-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436978855	500585231	/nfs/dbraw/zinc/58/52/31/500585231.db2.gz	WOQNMBHXQXNGPV-UHFFFAOYSA-N	-2	1	364.770	3.080	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000539854843	504719602	/nfs/dbraw/zinc/71/96/02/504719602.db2.gz	TTXPWGKWOXVWJM-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000085587560	494133051	/nfs/dbraw/zinc/13/30/51/494133051.db2.gz	KJKWFWSTTKSUII-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc([N+](=O)[O-])c1C	ZINC000326371209	498842844	/nfs/dbraw/zinc/84/28/44/498842844.db2.gz	FWILJCWFZKNYPO-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000507085776	503227741	/nfs/dbraw/zinc/22/77/41/503227741.db2.gz	FNRITWLURBNXHT-UHFFFAOYSA-N	-2	1	364.770	3.080	20	5		FGBDML
CCCCOc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000511259581	503289191	/nfs/dbraw/zinc/28/91/91/503289191.db2.gz	PNLCOZSNUCXVMB-UHFFFAOYSA-N	-2	1	366.395	3.280	20	5		FGBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000547873487	504255743	/nfs/dbraw/zinc/25/57/43/504255743.db2.gz	ZPQWTCNYVQBTGW-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c(C)c1	ZINC000548218891	504370026	/nfs/dbraw/zinc/37/00/26/504370026.db2.gz	SANWDFQKRWXACL-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])c1	ZINC000392967845	499559801	/nfs/dbraw/zinc/55/98/01/499559801.db2.gz	LNUSBAACCVJNTQ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436903401	501230325	/nfs/dbraw/zinc/23/03/25/501230325.db2.gz	WGEXXMGMIZWLGL-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1C(=O)[O-]	ZINC000481973573	501933246	/nfs/dbraw/zinc/93/32/46/501933246.db2.gz	PWXNHFMHYHDOGF-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc(C(=O)[O-])c1	ZINC000507622249	503333681	/nfs/dbraw/zinc/33/36/81/503333681.db2.gz	RVWUAAPAGLQSDI-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000512733475	503623130	/nfs/dbraw/zinc/62/31/30/503623130.db2.gz	LNNHPTSDTFFSDC-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1[O-]	ZINC000024101006	494607200	/nfs/dbraw/zinc/60/72/00/494607200.db2.gz	YKLFCTWAEYIZFC-UHFFFAOYSA-N	-2	1	363.178	3.408	20	5		FGBDML
O=C([O-])Nc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([O-])c1	ZINC000834256548	605664296	/nfs/dbraw/zinc/66/42/96/605664296.db2.gz	NCNPWZNGMSYQFK-UHFFFAOYSA-N	-2	1	371.349	3.195	20	5		FGBDML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])c1	ZINC000609657667	506963703	/nfs/dbraw/zinc/96/37/03/506963703.db2.gz	IZPDSNLPILNPOF-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C([O-])Nc1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c([O-])c1	ZINC000834255288	605657567	/nfs/dbraw/zinc/65/75/67/605657567.db2.gz	DOQIEJIZMOQEEG-UHFFFAOYSA-N	-2	1	371.349	3.195	20	5		FGBDML
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000326954859	498850605	/nfs/dbraw/zinc/85/06/05/498850605.db2.gz	GUCRDZGCHQQJOF-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000481975768	501933839	/nfs/dbraw/zinc/93/38/39/501933839.db2.gz	SVWVTPFPNMJKKG-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
C/C=C\c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000558047931	505295687	/nfs/dbraw/zinc/29/56/87/505295687.db2.gz	QNPSZOHOPUCIGX-IHWYPQMZSA-N	-2	1	362.363	3.127	20	5		FGBDML
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(Br)ccc1[O-]	ZINC000753705123	722910191	/nfs/dbraw/zinc/91/01/91/722910191.db2.gz	GEQHUDSMGQVNJT-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000795365417	723585225	/nfs/dbraw/zinc/58/52/25/723585225.db2.gz	KXSQDGNKKOYRPZ-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1Cl	ZINC000753019535	722881990	/nfs/dbraw/zinc/88/19/90/722881990.db2.gz	RAYBJKWVWIUMBW-UHFFFAOYSA-N	-2	1	363.178	3.408	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1C	ZINC000013300084	494284248	/nfs/dbraw/zinc/28/42/48/494284248.db2.gz	NLONTUNFYSTDTI-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1	ZINC000324426070	498827034	/nfs/dbraw/zinc/82/70/34/498827034.db2.gz	VCANJXHJCZLEIY-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc(C(=O)[O-])c1C	ZINC000537652066	503992302	/nfs/dbraw/zinc/99/23/02/503992302.db2.gz	PKKFEJSMTRUIHJ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1	ZINC000541801307	504259270	/nfs/dbraw/zinc/25/92/70/504259270.db2.gz	LFFWWVRTHAFKHQ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1C	ZINC000538756164	504359607	/nfs/dbraw/zinc/35/96/07/504359607.db2.gz	LFHQMZRKOSWTRA-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1	ZINC000739541087	602645627	/nfs/dbraw/zinc/64/56/27/602645627.db2.gz	JUEHNUZQVBASRG-UHFFFAOYSA-N	-2	1	365.367	3.048	20	5		FGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2scnc2c1	ZINC000179659990	495680055	/nfs/dbraw/zinc/68/00/55/495680055.db2.gz	OZHYMATUQDGMPY-UHFFFAOYSA-N	-2	1	365.392	3.019	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1[N+](=O)[O-]	ZINC000326753329	498848177	/nfs/dbraw/zinc/84/81/77/498848177.db2.gz	MKSFDXXYKUOWQW-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447337081	500593979	/nfs/dbraw/zinc/59/39/79/500593979.db2.gz	BQWZSFHAYRUUDA-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000468359932	502035299	/nfs/dbraw/zinc/03/52/99/502035299.db2.gz	SMGYLGCEXGOALV-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-]	ZINC000738399307	600245306	/nfs/dbraw/zinc/24/53/06/600245306.db2.gz	KKVAYOVWYJZFMP-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000832934475	602321681	/nfs/dbraw/zinc/32/16/81/602321681.db2.gz	FOEQFLZUBKLNNU-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000485226086	501761880	/nfs/dbraw/zinc/76/18/80/501761880.db2.gz	VXNSDSOZIASPLU-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1	ZINC000484551343	502667253	/nfs/dbraw/zinc/66/72/53/502667253.db2.gz	IPOARRAHVQVGMH-UHFFFAOYSA-N	-2	1	372.358	3.247	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c([N+](=O)[O-])c1	ZINC000548210838	504369389	/nfs/dbraw/zinc/36/93/89/504369389.db2.gz	NEPDVQMTHNMGIY-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
CCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000760338882	723050067	/nfs/dbraw/zinc/05/00/67/723050067.db2.gz	GOHCQRTYHMTSOE-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1C	ZINC000327271076	498853624	/nfs/dbraw/zinc/85/36/24/498853624.db2.gz	DJYCMIWPJJBGHU-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000447341223	500594031	/nfs/dbraw/zinc/59/40/31/500594031.db2.gz	NSPIECRLXMEPSH-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1C(=O)[O-]	ZINC000491584754	503321531	/nfs/dbraw/zinc/32/15/31/503321531.db2.gz	XBEVMNHAFYTKJJ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000547898689	504260279	/nfs/dbraw/zinc/26/02/79/504260279.db2.gz	OUIWRHKSVFCDTN-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
CC1(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])CCCCC1	ZINC000548228287	504371734	/nfs/dbraw/zinc/37/17/34/504371734.db2.gz	BBJCJUPSGNYXNO-UHFFFAOYSA-N	-2	1	356.400	3.005	20	5		FGBDML
O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000795340824	723583331	/nfs/dbraw/zinc/58/33/31/723583331.db2.gz	ZASLZOMQUQOXTA-UHFFFAOYSA-N	-2	1	364.713	3.033	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000327345989	498855525	/nfs/dbraw/zinc/85/55/25/498855525.db2.gz	SVFADIJMHNJVMR-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C(=O)[O-]	ZINC000491577861	503320748	/nfs/dbraw/zinc/32/07/48/503320748.db2.gz	ASOUXDWGUWZTCO-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1C	ZINC000327266605	498854314	/nfs/dbraw/zinc/85/43/14/498854314.db2.gz	RCOSJTLJFONJBR-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000410396894	499660313	/nfs/dbraw/zinc/66/03/13/499660313.db2.gz	IXOBIPALBHOXLA-UHFFFAOYSA-N	-2	1	365.411	3.312	20	5		FGBDML
CSc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000476404309	502481707	/nfs/dbraw/zinc/48/17/07/502481707.db2.gz	KNQSLBJAHIABMU-UHFFFAOYSA-N	-2	1	374.827	3.477	20	5		FGBDML
Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)[O-])c1	ZINC000392960868	499559731	/nfs/dbraw/zinc/55/97/31/499559731.db2.gz	OYETWRRTBCNXPS-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432199755	500482793	/nfs/dbraw/zinc/48/27/93/500482793.db2.gz	APVBXQCAHIJSNQ-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C	ZINC000481975925	501933406	/nfs/dbraw/zinc/93/34/06/501933406.db2.gz	IOEGXMKDPYFRDD-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
C/C=C/c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000558047932	505295701	/nfs/dbraw/zinc/29/57/01/505295701.db2.gz	QNPSZOHOPUCIGX-NSCUHMNNSA-N	-2	1	362.363	3.127	20	5		FGBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1[O-]	ZINC000024100932	494606260	/nfs/dbraw/zinc/60/62/60/494606260.db2.gz	DEGPPUKWAOMIFW-UHFFFAOYSA-N	-2	1	363.178	3.408	20	5		FGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000327905692	498864443	/nfs/dbraw/zinc/86/44/43/498864443.db2.gz	IOOQEJZUHLVVEJ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000328318538	498867808	/nfs/dbraw/zinc/86/78/08/498867808.db2.gz	QFHXRONUJQZJDC-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447350154	500595317	/nfs/dbraw/zinc/59/53/17/500595317.db2.gz	ZOLCPTCXKGOSDU-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000547898410	504260395	/nfs/dbraw/zinc/26/03/95/504260395.db2.gz	OCBUZHMCDCQUPB-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548266095	504378137	/nfs/dbraw/zinc/37/81/37/504378137.db2.gz	OOIUHOGXQMILHU-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(Br)c([O-])c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000184481638	496405345	/nfs/dbraw/zinc/40/53/45/496405345.db2.gz	IBVWNJGPKLQXCN-UHFFFAOYSA-N	-2	1	367.155	3.329	20	5		FGBDML
CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499169844	503349073	/nfs/dbraw/zinc/34/90/73/503349073.db2.gz	VHJIZJUQRINBQB-UHFFFAOYSA-N	-2	1	366.395	3.117	20	5		FGBDML
CC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1	ZINC000548525398	504477119	/nfs/dbraw/zinc/47/71/19/504477119.db2.gz	GOCILNIRGHATMH-UHFFFAOYSA-N	-2	1	356.400	3.005	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc([N+](=O)[O-])c1C	ZINC000392234926	499558306	/nfs/dbraw/zinc/55/83/06/499558306.db2.gz	DMVNJDLZPIUXJT-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1C(=O)[O-]	ZINC000392804791	499559396	/nfs/dbraw/zinc/55/93/96/499559396.db2.gz	ZSWVUMIYTRDIKO-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1	ZINC000543634636	503836212	/nfs/dbraw/zinc/83/62/12/503836212.db2.gz	BYSRFLVLKYDHNQ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1[O-]	ZINC000436666470	501182074	/nfs/dbraw/zinc/18/20/74/501182074.db2.gz	TZTUEIBUYFRKKU-UHFFFAOYSA-N	-2	1	350.714	3.114	20	5		FGBDML
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncoc1C(F)(F)F	ZINC000590444778	506823967	/nfs/dbraw/zinc/82/39/67/506823967.db2.gz	HQLBJFPZXGVQJG-UHFFFAOYSA-N	-2	1	351.624	3.213	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C(=O)[O-]	ZINC000481949868	501927547	/nfs/dbraw/zinc/92/75/47/501927547.db2.gz	AGRIBYJZFGRPQN-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1	ZINC000548555849	504482462	/nfs/dbraw/zinc/48/24/62/504482462.db2.gz	CYYNCBPWAGCIII-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1noc(-c2ccccc2)n1	ZINC000433382930	500684902	/nfs/dbraw/zinc/68/49/02/500684902.db2.gz	QNJKQXOUBGTOEK-UHFFFAOYSA-N	-2	1	360.713	3.256	20	5		FGBDML
Cc1oc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2c1C	ZINC000479535000	502288951	/nfs/dbraw/zinc/28/89/51/502288951.db2.gz	GDFPUFVAKCHFGB-UHFFFAOYSA-N	-2	1	362.363	3.464	20	5		FGBDML
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000533875172	503977864	/nfs/dbraw/zinc/97/78/64/503977864.db2.gz	JESMFNJFLWDPBH-UHFFFAOYSA-N	-2	1	364.770	3.080	20	5		FGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000736421389	600244566	/nfs/dbraw/zinc/24/45/66/600244566.db2.gz	SCWUWODZADAOEG-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1	ZINC000327547779	498860346	/nfs/dbraw/zinc/86/03/46/498860346.db2.gz	AGFDXKMOCZUXLN-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1	ZINC000612599345	506645446	/nfs/dbraw/zinc/64/54/46/506645446.db2.gz	ZVIGUOGHYWUURY-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000736420034	600244362	/nfs/dbraw/zinc/24/43/62/600244362.db2.gz	CEZCGVPZNVEQMJ-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000751141897	722796231	/nfs/dbraw/zinc/79/62/31/722796231.db2.gz	JKJHVJKBKNHLOE-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
CSc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000508227242	503458775	/nfs/dbraw/zinc/45/87/75/503458775.db2.gz	RVOKIXZOWNITQP-UHFFFAOYSA-N	-2	1	354.409	3.132	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000013263487	494283747	/nfs/dbraw/zinc/28/37/47/494283747.db2.gz	CQZMMUHPGDONCZ-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432187061	500481982	/nfs/dbraw/zinc/48/19/82/500481982.db2.gz	SQMNVKKLFZPYOG-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c([N+](=O)[O-])c1	ZINC000548226448	504371405	/nfs/dbraw/zinc/37/14/05/504371405.db2.gz	YDARALQKWVWXFH-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-]	ZINC000326684970	498846389	/nfs/dbraw/zinc/84/63/89/498846389.db2.gz	OOMYRLIFTVFKHZ-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc(C(=O)[O-])c1C	ZINC000471111603	501924363	/nfs/dbraw/zinc/92/43/63/501924363.db2.gz	FKQHGMFMKKYVHA-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc(Cl)c1[O-]	ZINC000547258049	504036785	/nfs/dbraw/zinc/03/67/85/504036785.db2.gz	CUYMLZOAZOHNCI-UHFFFAOYSA-N	-2	1	352.730	3.310	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000327094887	498852429	/nfs/dbraw/zinc/85/24/29/498852429.db2.gz	KDSUWWFVFLPTOE-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000391603165	499557343	/nfs/dbraw/zinc/55/73/43/499557343.db2.gz	VSKOYZMOGGYLJW-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc(C(=O)[O-])c1	ZINC000507578867	503326034	/nfs/dbraw/zinc/32/60/34/503326034.db2.gz	IHHRTDVCQYYOLW-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000517642282	503794655	/nfs/dbraw/zinc/79/46/55/503794655.db2.gz	OQMIALBFYXHMFY-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
O=C([O-])c1ccccc1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1	ZINC000593289473	506514769	/nfs/dbraw/zinc/51/47/69/506514769.db2.gz	WWMLKTPBULWDFV-UHFFFAOYSA-N	-2	1	356.378	3.378	20	5		FGBDML
O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000077022755	494010625	/nfs/dbraw/zinc/01/06/25/494010625.db2.gz	XKUWINAJPOXKDJ-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML
CC(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000432193291	500482467	/nfs/dbraw/zinc/48/24/67/500482467.db2.gz	TWQYTAQRPGXXBT-UHFFFAOYSA-N	-2	1	364.379	3.217	20	5		FGBDML
CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432202684	500483169	/nfs/dbraw/zinc/48/31/69/500483169.db2.gz	PPFQEQWSHUWZHP-UHFFFAOYSA-N	-2	1	364.379	3.046	20	5		FGBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000447339500	500594086	/nfs/dbraw/zinc/59/40/86/500594086.db2.gz	GIAZQBYQDNHYBD-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl	ZINC000432190620	500481660	/nfs/dbraw/zinc/48/16/60/500481660.db2.gz	GOBWYHRRNOXLJN-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl	ZINC000485215208	501758239	/nfs/dbraw/zinc/75/82/39/501758239.db2.gz	XCYKNURKMIDHCC-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1	ZINC000592970107	506317566	/nfs/dbraw/zinc/31/75/66/506317566.db2.gz	COIPFWYYVAWVKY-UHFFFAOYSA-N	-2	1	370.361	3.098	20	5		FGBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1	ZINC000543660037	503844075	/nfs/dbraw/zinc/84/40/75/503844075.db2.gz	ZZDVXSNBFDDMLE-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014097268	695611460	/nfs/dbraw/zinc/61/14/60/695611460.db2.gz	HZEWOXSOMPXTCH-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000580271657	505718693	/nfs/dbraw/zinc/71/86/93/505718693.db2.gz	WSUMULAKJWRQHO-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000391751648	499557393	/nfs/dbraw/zinc/55/73/93/499557393.db2.gz	QDZMTJUOKLPVGO-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-]	ZINC000491583655	503321399	/nfs/dbraw/zinc/32/13/99/503321399.db2.gz	LTHMOXFHDAGKRA-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1	ZINC000508241810	503461097	/nfs/dbraw/zinc/46/10/97/503461097.db2.gz	MBBLOJGAZLNGND-UHFFFAOYSA-N	-2	1	360.750	3.202	20	5		FGBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1C	ZINC000740098956	602646598	/nfs/dbraw/zinc/64/65/98/602646598.db2.gz	MFARPPFDXCBAKF-UHFFFAOYSA-N	-2	1	365.367	3.102	20	5		FGBDML
O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc([N+](=O)[O-])[n-]1	ZINC000536216541	504669039	/nfs/dbraw/zinc/66/90/39/504669039.db2.gz	WLWHPSVBONWWEJ-UHFFFAOYSA-N	-2	1	360.551	3.297	20	5		FGBDML
O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000740713227	602645896	/nfs/dbraw/zinc/64/58/96/602645896.db2.gz	QPWUMOXJCATYPL-UHFFFAOYSA-N	-2	1	371.758	3.139	20	5		FGBDML
O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000552122410	505407161	/nfs/dbraw/zinc/40/71/61/505407161.db2.gz	YFEVCWWMPUTGAE-UHFFFAOYSA-N	-2	1	364.770	3.080	20	5		FGBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C	ZINC000328330770	498868763	/nfs/dbraw/zinc/86/87/63/498868763.db2.gz	SOAOYPLVSSISTP-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-]	ZINC000392743820	499559283	/nfs/dbraw/zinc/55/92/83/499559283.db2.gz	ZKLSJCBBYWKVNE-UHFFFAOYSA-N	-2	1	370.770	3.056	20	5		FGBDML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000491596880	503323294	/nfs/dbraw/zinc/32/32/94/503323294.db2.gz	OVRAERHDQCHQKL-UHFFFAOYSA-N	-2	1	364.379	3.019	20	5		FGBDML
O=C(Nc1cc(Br)ccc1[O-])c1cc([O-])ccc1[N+](=O)[O-]	ZINC000556952327	505028142	/nfs/dbraw/zinc/02/81/42/505028142.db2.gz	XJTMATKDNQDKOY-UHFFFAOYSA-N	-2	1	353.128	3.021	20	5		FGBDML