smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1ccnc1	ZINC000193676903	201101631	/nfs/dbraw/zinc/10/16/31/201101631.db2.gz	KZCJVKDGPFOMGG-LLVKDONJSA-N	-1	1	317.305	1.197	10	5		DDBEMM
CCC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000185040344	697512965	/nfs/dbraw/zinc/51/29/65/697512965.db2.gz	FNVKYPQYYORKGQ-BXKDBHETSA-N	-1	1	309.322	1.765	10	5		DDBEMM
Nc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1	ZINC000093395849	193243872	/nfs/dbraw/zinc/24/38/72/193243872.db2.gz	PKZFEEFQGACQPR-UHFFFAOYSA-N	-1	1	301.234	1.559	10	5		DDBEMM
C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000121420720	297631253	/nfs/dbraw/zinc/63/12/53/297631253.db2.gz	WEGKBZYCZXAZRU-IONNQARKSA-N	-1	1	304.299	1.190	10	5		DDBEMM
O=Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)o1	ZINC000088541113	185255913	/nfs/dbraw/zinc/25/59/13/185255913.db2.gz	IBNYEJZDRMBVSJ-UHFFFAOYSA-N	-1	1	310.287	1.479	10	5		DDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000086515984	192578065	/nfs/dbraw/zinc/57/80/65/192578065.db2.gz	AWXDDVMYLMOVCK-UHFFFAOYSA-N	-1	1	320.754	1.752	10	5		DDBEMM
COC(=O)c1ccccc1N(C)c1nc[n-]c(=O)c1[N+](=O)[O-]	ZINC000040659865	183114974	/nfs/dbraw/zinc/11/49/74/183114974.db2.gz	QAHGJSHTKQDDNV-UHFFFAOYSA-N	-1	1	304.262	1.233	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000186978978	280227664	/nfs/dbraw/zinc/22/76/64/280227664.db2.gz	NXMILSZRMFIZHO-JQWIXIFHSA-N	-1	1	307.306	1.479	10	5		DDBEMM
COC(=O)[C@](O)(C=C([O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000536960895	337868803	/nfs/dbraw/zinc/86/88/03/337868803.db2.gz	VGBLVGYWECWNOK-LLVKDONJSA-N	-1	1	321.207	1.634	10	5		DDBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ncc[nH]2)c(F)cc1F	ZINC000080641673	192176941	/nfs/dbraw/zinc/17/69/41/192176941.db2.gz	LRQRLCXJTBUOKN-UHFFFAOYSA-N	-1	1	318.261	1.075	10	5		DDBEMM
O=C([O-])c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc[nH]c1	ZINC000062823905	184254385	/nfs/dbraw/zinc/25/43/85/184254385.db2.gz	QTNTUSFICZOHCQ-UHFFFAOYSA-N	-1	1	311.275	1.422	10	5		DDBEMM
CC[C@@](C)(CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000080881627	192198706	/nfs/dbraw/zinc/19/87/06/192198706.db2.gz	LDNVUBAJFOTRIF-NSHDSACASA-N	-1	1	322.770	1.688	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000193728615	201111030	/nfs/dbraw/zinc/11/10/30/201111030.db2.gz	IUSGZDMNCBPFAI-NHYWBVRUSA-N	-1	1	321.333	1.463	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000193728572	201111403	/nfs/dbraw/zinc/11/14/03/201111403.db2.gz	IUSGZDMNCBPFAI-IAQYHMDHSA-N	-1	1	321.333	1.463	10	5		DDBEMM
Cn1cc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cn1	ZINC000116466337	407756347	/nfs/dbraw/zinc/75/63/47/407756347.db2.gz	FZEKSUWOFURPHM-VIFPVBQESA-N	-1	1	317.305	1.059	10	5		DDBEMM
CCC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000185040295	697513083	/nfs/dbraw/zinc/51/30/83/697513083.db2.gz	FNVKYPQYYORKGQ-CABZTGNLSA-N	-1	1	309.322	1.765	10	5		DDBEMM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(Cl)c1	ZINC000040825956	183137317	/nfs/dbraw/zinc/13/73/17/183137317.db2.gz	FXEDBEQHLJNNHW-UHFFFAOYSA-N	-1	1	302.699	1.772	10	5		DDBEMM
O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000195105873	284132699	/nfs/dbraw/zinc/13/26/99/284132699.db2.gz	JOKWILOTQPMVNZ-LLVKDONJSA-N	-1	1	301.258	1.559	10	5		DDBEMM
O=C(N[C@H]1COc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187043228	163003910	/nfs/dbraw/zinc/00/39/10/163003910.db2.gz	JNMHDBXPLJRBNT-JTQLQIEISA-N	-1	1	301.258	1.559	10	5		DDBEMM
CC[C@@](C)(CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000080880710	192198010	/nfs/dbraw/zinc/19/80/10/192198010.db2.gz	SDGLCPAKKVLOCU-NSHDSACASA-N	-1	1	324.305	1.312	10	5		DDBEMM
O=C(N[C@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000007056228	284216321	/nfs/dbraw/zinc/21/63/21/284216321.db2.gz	YFTUPSVNVHQOBB-LBPRGKRZSA-N	-1	1	315.285	1.537	10	5		DDBEMM
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1	ZINC000094780473	193397838	/nfs/dbraw/zinc/39/78/38/193397838.db2.gz	CZKWMLRXTAMISM-UHFFFAOYSA-N	-1	1	308.319	1.681	10	5		DDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000133658994	186003884	/nfs/dbraw/zinc/00/38/84/186003884.db2.gz	ZBEGIHMMLXIOKQ-UHFFFAOYSA-N	-1	1	320.754	1.752	10	5		DDBEMM
COC(=O)c1ccccc1[N-]c1ncnc(N(C)C)c1[N+](=O)[O-]	ZINC000040608406	183109073	/nfs/dbraw/zinc/10/90/73/183109073.db2.gz	WVCBBPDNPMPWAB-UHFFFAOYSA-N	-1	1	317.305	1.981	10	5		DDBEMM
CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000198902571	354304795	/nfs/dbraw/zinc/30/47/95/354304795.db2.gz	DTDLAKLNDVFYQA-UHFFFAOYSA-N	-1	1	303.296	1.581	10	5		DDBEMM
C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000121420866	408206239	/nfs/dbraw/zinc/20/62/39/408206239.db2.gz	WEGKBZYCZXAZRU-APPZFPTMSA-N	-1	1	304.299	1.190	10	5		DDBEMM
CCC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC000237014741	202122686	/nfs/dbraw/zinc/12/26/86/202122686.db2.gz	STVDWEACXSKKMI-JTQLQIEISA-N	-1	1	306.278	1.454	10	5		DDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000133659617	186004278	/nfs/dbraw/zinc/00/42/78/186004278.db2.gz	DSXPCJGQSNPLTP-UHFFFAOYSA-N	-1	1	320.754	1.752	10	5		DDBEMM
Cn1cc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cn1	ZINC000116466336	407757166	/nfs/dbraw/zinc/75/71/66/407757166.db2.gz	FZEKSUWOFURPHM-SECBINFHSA-N	-1	1	317.305	1.059	10	5		DDBEMM
C[C@@H](O)c1ccc(Sc2nc(N)cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000111578302	185614389	/nfs/dbraw/zinc/61/43/89/185614389.db2.gz	ADTYUHVXRXDBQU-ZCFIWIBFSA-N	-1	1	308.319	1.465	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000186979035	296283681	/nfs/dbraw/zinc/28/36/81/296283681.db2.gz	NXMILSZRMFIZHO-ZYHUDNBSSA-N	-1	1	307.306	1.479	10	5		DDBEMM
NNc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1[N+](=O)[O-]	ZINC000090867987	192940317	/nfs/dbraw/zinc/94/03/17/192940317.db2.gz	AMYDZMNOMPTOLS-UHFFFAOYSA-N	-1	1	314.348	1.743	10	5		DDBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1F	ZINC000224240851	354316210	/nfs/dbraw/zinc/31/62/10/354316210.db2.gz	CFLQZYPPMDQLDX-UHFFFAOYSA-N	-1	1	302.205	1.575	10	5		DDBEMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCO1	ZINC000066327675	407248227	/nfs/dbraw/zinc/24/82/27/407248227.db2.gz	QDZOXIASEWTUFQ-YUMQZZPRSA-N	-1	1	306.365	1.502	10	5		DDBEMM
Cc1cc(=O)[n-]c(SCc2ccc([N+](=O)[O-])c(NN)c2)n1	ZINC000094778900	193396124	/nfs/dbraw/zinc/39/61/24/193396124.db2.gz	NMPWGSBHMJVRCT-UHFFFAOYSA-N	-1	1	307.335	1.564	10	5		DDBEMM
C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000121421018	408206297	/nfs/dbraw/zinc/20/62/97/408206297.db2.gz	WEGKBZYCZXAZRU-CBAPKCEASA-N	-1	1	304.299	1.190	10	5		DDBEMM
Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1N	ZINC000111044300	194386809	/nfs/dbraw/zinc/38/68/09/194386809.db2.gz	TVYKWYWMDPMPGW-UHFFFAOYSA-N	-1	1	308.319	1.681	10	5		DDBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O	ZINC000157657734	408313236	/nfs/dbraw/zinc/31/32/36/408313236.db2.gz	GLYHLDSSKOVYCO-ZJUUUORDSA-N	-1	1	318.326	1.316	10	5		DDBEMM
COC(=O)[C@@](O)(C=C([O-])c1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000536960896	421724480	/nfs/dbraw/zinc/72/44/80/421724480.db2.gz	VGBLVGYWECWNOK-NSHDSACASA-N	-1	1	321.207	1.634	10	5		DDBEMM
O=C([O-])[C@H]1CC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1	ZINC000194473318	201234244	/nfs/dbraw/zinc/23/42/44/201234244.db2.gz	DMECYEOHWVRIGU-JGVFFNPUSA-N	-1	1	318.289	1.454	10	5		DDBEMM
COC1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000230724520	697784834	/nfs/dbraw/zinc/78/48/34/697784834.db2.gz	TYHRHHWXXBPMNV-UHFFFAOYSA-N	-1	1	304.299	1.190	10	5		DDBEMM
Nc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(F)(F)F)c1	ZINC000063102683	184271060	/nfs/dbraw/zinc/27/10/60/184271060.db2.gz	POMZJQFFHIKHOC-UHFFFAOYSA-N	-1	1	313.257	1.408	10	5		DDBEMM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCO1	ZINC000064245360	184293355	/nfs/dbraw/zinc/29/33/55/184293355.db2.gz	QDZOXIASEWTUFQ-JGVFFNPUSA-N	-1	1	306.365	1.502	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000186978996	280227861	/nfs/dbraw/zinc/22/78/61/280227861.db2.gz	NXMILSZRMFIZHO-CMPLNLGQSA-N	-1	1	307.306	1.479	10	5		DDBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)s1	ZINC000121334972	281136910	/nfs/dbraw/zinc/13/69/10/281136910.db2.gz	NLBWRIKMKQIQET-RKDXNWHRSA-N	-1	1	320.392	1.486	10	5		DDBEMM
Cn1cc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1	ZINC000193591884	201081607	/nfs/dbraw/zinc/08/16/07/201081607.db2.gz	TXYVYVLHDWHRNW-SECBINFHSA-N	-1	1	317.305	1.059	10	5		DDBEMM
CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000185040312	697512836	/nfs/dbraw/zinc/51/28/36/697512836.db2.gz	FNVKYPQYYORKGQ-JOYOIKCWSA-N	-1	1	309.322	1.765	10	5		DDBEMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)F	ZINC000094780003	193397147	/nfs/dbraw/zinc/39/71/47/193397147.db2.gz	AYCQMIGSYXELRP-UHFFFAOYSA-N	-1	1	316.232	1.883	10	5		DDBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O	ZINC000157722006	197210315	/nfs/dbraw/zinc/21/03/15/197210315.db2.gz	NHPOFRUCNJDLNW-WPRPVWTQSA-N	-1	1	318.326	1.173	10	5		DDBEMM
O=C(N[C@@H]1COc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187043209	163003634	/nfs/dbraw/zinc/00/36/34/163003634.db2.gz	JNMHDBXPLJRBNT-SNVBAGLBSA-N	-1	1	301.258	1.559	10	5		DDBEMM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1F	ZINC000043474592	183365859	/nfs/dbraw/zinc/36/58/59/183365859.db2.gz	LYCOPZFKGLWHOA-UHFFFAOYSA-N	-1	1	314.298	1.875	10	5		DDBEMM
CCN(CCO)c1ncnc([N-]c2ccc(C)cn2)c1[N+](=O)[O-]	ZINC000040617841	183110088	/nfs/dbraw/zinc/11/00/88/183110088.db2.gz	OAQVNFVIHOCNTM-UHFFFAOYSA-N	-1	1	318.337	1.650	10	5		DDBEMM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc[nH]c1	ZINC000062823949	184254871	/nfs/dbraw/zinc/25/48/71/184254871.db2.gz	GJBOYTLNMMVHSB-UHFFFAOYSA-N	-1	1	311.275	1.422	10	5		DDBEMM
C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nn[n-]n1	ZINC000093434038	193250475	/nfs/dbraw/zinc/25/04/75/193250475.db2.gz	CYEJVQCNMXQSHK-SCSAIBSYSA-N	-1	1	314.103	1.439	10	5		DDBEMM
COC(=O)c1ccc(Oc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1	ZINC000040587661	183105830	/nfs/dbraw/zinc/10/58/30/183105830.db2.gz	VZIHCRLVMRMNKZ-UHFFFAOYSA-N	-1	1	305.250	1.249	10	5		DDBEMM
CNc1ncnc([N-]c2ccccc2C(=O)OC)c1[N+](=O)[O-]	ZINC000040595704	183106613	/nfs/dbraw/zinc/10/66/13/183106613.db2.gz	JWOTWVFGEWZUAE-UHFFFAOYSA-N	-1	1	303.278	1.957	10	5		DDBEMM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066333858	407248138	/nfs/dbraw/zinc/24/81/38/407248138.db2.gz	IOEUGEXBKNIXPV-SECBINFHSA-N	-1	1	319.408	1.419	10	5		DDBEMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCO1	ZINC000066327676	407248263	/nfs/dbraw/zinc/24/82/63/407248263.db2.gz	QDZOXIASEWTUFQ-SFYZADRCSA-N	-1	1	306.365	1.502	10	5		DDBEMM
CCOC(=O)c1ccccc1[N-]c1ncnc(N)c1[N+](=O)[O-]	ZINC000040608825	183108596	/nfs/dbraw/zinc/10/85/96/183108596.db2.gz	WAGQWNSFNVSXEG-UHFFFAOYSA-N	-1	1	303.278	1.887	10	5		DDBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cc[nH]n2)c(F)cc1F	ZINC000041016933	183156640	/nfs/dbraw/zinc/15/66/40/183156640.db2.gz	KSYRYNDXWDNEOM-UHFFFAOYSA-N	-1	1	318.261	1.075	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1cn[nH]c1	ZINC000185652750	296283331	/nfs/dbraw/zinc/28/33/31/296283331.db2.gz	RBVRXCZNOCLINE-NSHDSACASA-N	-1	1	317.305	1.786	10	5		DDBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)s1	ZINC000121334504	281137018	/nfs/dbraw/zinc/13/70/18/281137018.db2.gz	NLBWRIKMKQIQET-IUCAKERBSA-N	-1	1	320.392	1.486	10	5		DDBEMM
COC(=O)CCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(C)c1	ZINC000043570150	183372658	/nfs/dbraw/zinc/37/26/58/183372658.db2.gz	VNTMAYVSCJGCOX-UHFFFAOYSA-N	-1	1	316.335	1.598	10	5		DDBEMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cn[nH]c2)c(F)cc1F	ZINC000040827989	183138167	/nfs/dbraw/zinc/13/81/67/183138167.db2.gz	QGCHHNREXHBTHA-UHFFFAOYSA-N	-1	1	304.234	1.397	10	5		DDBEMM
COC(=O)[C@](O)(C=C([O-])c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000536960083	421725044	/nfs/dbraw/zinc/72/50/44/421725044.db2.gz	OJDGPWVWAMNXMN-LLVKDONJSA-N	-1	1	321.207	1.634	10	5		DDBEMM
Cc1ccc(NC(=O)C=C2SC(=O)[N-]C2=O)c([N+](=O)[O-])c1	ZINC000039794520	183022461	/nfs/dbraw/zinc/02/24/61/183022461.db2.gz	LHTOXTOLELFPGS-UITAMQMPSA-N	-1	1	307.287	1.709	10	5		DDBEMM
CN(C)N=c1nc[n-]c(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040586128	183106260	/nfs/dbraw/zinc/10/62/60/183106260.db2.gz	WOELEEJFJSZRFM-UHFFFAOYSA-N	-1	1	300.322	1.968	10	5		DDBEMM
O=Cc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)o1	ZINC000088541144	185255844	/nfs/dbraw/zinc/25/58/44/185255844.db2.gz	LWTIOILLMAKAGH-UHFFFAOYSA-N	-1	1	310.287	1.479	10	5		DDBEMM
O=C([O-])CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000093633487	193277677	/nfs/dbraw/zinc/27/76/77/193277677.db2.gz	XTBYOBUVWRKYRV-UHFFFAOYSA-N	-1	1	313.741	1.450	10	5		DDBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2c[nH]cn2)c(F)cc1F	ZINC000088759526	185264300	/nfs/dbraw/zinc/26/43/00/185264300.db2.gz	DOVZTADCVHTBPE-UHFFFAOYSA-N	-1	1	318.261	1.075	10	5		DDBEMM
O=c1[n-]cnc(Nc2ccc(Br)cn2)c1[N+](=O)[O-]	ZINC000040647362	183113979	/nfs/dbraw/zinc/11/39/79/183113979.db2.gz	GBKSJEPJGRYGCI-UHFFFAOYSA-N	-1	1	312.083	1.579	10	5		DDBEMM
O=C([O-])CSc1nc(-c2c(F)ccc([N+](=O)[O-])c2F)n[nH]1	ZINC000094190661	193348253	/nfs/dbraw/zinc/34/82/53/193348253.db2.gz	GFIMAAGYCPAHFI-UHFFFAOYSA-N	-1	1	316.245	1.835	10	5		DDBEMM
Cc1cnn(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000117927298	407873394	/nfs/dbraw/zinc/87/33/94/407873394.db2.gz	ORZHFGKFUSMEET-UHFFFAOYSA-N	-1	1	316.364	1.140	10	5		DDBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O	ZINC000157722435	197211224	/nfs/dbraw/zinc/21/12/24/197211224.db2.gz	NHPOFRUCNJDLNW-PSASIEDQSA-N	-1	1	318.326	1.173	10	5		DDBEMM
CSC1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000707267217	699246316	/nfs/dbraw/zinc/24/63/16/699246316.db2.gz	SWAXGYFFFDUOKO-UHFFFAOYSA-N	-1	1	320.367	1.906	10	5		DDBEMM
Cn1cc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1	ZINC000187072832	200056970	/nfs/dbraw/zinc/05/69/70/200056970.db2.gz	SABHTYHUEZFXIR-LLVKDONJSA-N	-1	1	317.305	1.406	10	5		DDBEMM
CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000111071915	194388427	/nfs/dbraw/zinc/38/84/27/194388427.db2.gz	GOARGJFSCLSVTM-UHFFFAOYSA-N	-1	1	302.308	1.833	10	5		DDBEMM
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000245743595	287229119	/nfs/dbraw/zinc/22/91/19/287229119.db2.gz	SCDYWPUGYLCOAP-YPMHNXCESA-N	-1	1	319.361	1.999	10	5		DDBEMM
O=C(N[C@@H]1CCOc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187910524	284086727	/nfs/dbraw/zinc/08/67/27/284086727.db2.gz	QVLDVFGAERAIDP-LLVKDONJSA-N	-1	1	315.285	1.949	10	5		DDBEMM
CCOC(=O)c1cccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000040659847	183114967	/nfs/dbraw/zinc/11/49/67/183114967.db2.gz	BKHXWOPYXCWBHF-UHFFFAOYSA-N	-1	1	304.262	1.598	10	5		DDBEMM
CCC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000185040329	697512938	/nfs/dbraw/zinc/51/29/38/697512938.db2.gz	FNVKYPQYYORKGQ-SKDRFNHKSA-N	-1	1	309.322	1.765	10	5		DDBEMM
CC[C@](C)(CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000080881629	192197860	/nfs/dbraw/zinc/19/78/60/192197860.db2.gz	LDNVUBAJFOTRIF-LLVKDONJSA-N	-1	1	322.770	1.688	10	5		DDBEMM
CC(C)C(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000126582919	407416875	/nfs/dbraw/zinc/41/68/75/407416875.db2.gz	YENMVXXWLKDBEX-UHFFFAOYSA-N	-1	1	304.299	1.237	10	5		DDBEMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cc[nH]n2)CC1	ZINC000131923341	162026235	/nfs/dbraw/zinc/02/62/35/162026235.db2.gz	UVZUCCBINMFXLV-UHFFFAOYSA-N	-1	1	317.305	1.438	10	5		DDBEMM
C[C@@H](O)c1c[nH]c2c(ccc3c(=O)c([C@H](C)O)c[n-]c32)c1=O	ZINC000095535006	185379149	/nfs/dbraw/zinc/37/91/49/185379149.db2.gz	BCNOAGZTMBOVJP-OCAPTIKFSA-N	-1	1	300.314	1.476	10	5		DDBEMM
C[C@@H](O)c1c[n-]c2c(ccc3c(=O)c([C@H](C)O)c[nH]c32)c1=O	ZINC000095535006	185379150	/nfs/dbraw/zinc/37/91/50/185379150.db2.gz	BCNOAGZTMBOVJP-OCAPTIKFSA-N	-1	1	300.314	1.476	10	5		DDBEMM
COC(=O)c1ccccc1N(C)c1[n-]cnc(=NN)c1[N+](=O)[O-]	ZINC000040656810	183114864	/nfs/dbraw/zinc/11/48/64/183114864.db2.gz	XPBOVVYEMISSFL-UHFFFAOYSA-N	-1	1	318.293	1.225	10	5		DDBEMM
CC(C)[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000092407312	185316598	/nfs/dbraw/zinc/31/65/98/185316598.db2.gz	PKAYOPLEDDAJQJ-VIFPVBQESA-N	-1	1	324.305	1.168	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21	ZINC000186979016	200042240	/nfs/dbraw/zinc/04/22/40/200042240.db2.gz	NXMILSZRMFIZHO-PWSUYJOCSA-N	-1	1	307.306	1.479	10	5		DDBEMM
CNc1cc(CSc2nc(N)cc(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000094778206	193396478	/nfs/dbraw/zinc/39/64/78/193396478.db2.gz	ZPRUXGKVUYDLDN-UHFFFAOYSA-N	-1	1	307.335	1.594	10	5		DDBEMM
O=C(Nc1cnc(Br)cn1)c1ccc([N+](=O)[O-])[n-]1	ZINC000088448072	185251375	/nfs/dbraw/zinc/25/13/75/185251375.db2.gz	CFGWUEUNNWJOHB-UHFFFAOYSA-N	-1	1	312.083	1.728	10	5		DDBEMM
CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000119565496	408095285	/nfs/dbraw/zinc/09/52/85/408095285.db2.gz	VMGYDCBCFFKCII-UHFFFAOYSA-N	-1	1	308.743	1.563	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000193728601	296283547	/nfs/dbraw/zinc/28/35/47/296283547.db2.gz	IUSGZDMNCBPFAI-XHDPSFHLSA-N	-1	1	321.333	1.463	10	5		DDBEMM
CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1	ZINC000066001466	184384369	/nfs/dbraw/zinc/38/43/69/184384369.db2.gz	IOEUGEXBKNIXPV-VIFPVBQESA-N	-1	1	319.408	1.419	10	5		DDBEMM
CCCOc1ccc(C=CC(=O)Nc2nnn[n-]2)cc1[N+](=O)[O-]	ZINC000096583748	193680428	/nfs/dbraw/zinc/68/04/28/193680428.db2.gz	ZZYPZMBQABVNEO-GQCTYLIASA-N	-1	1	318.293	1.549	10	5		DDBEMM
CCCOc1ccc(C=CC(=O)Nc2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000096583748	193680430	/nfs/dbraw/zinc/68/04/30/193680430.db2.gz	ZZYPZMBQABVNEO-GQCTYLIASA-N	-1	1	318.293	1.549	10	5		DDBEMM
CC[C@](C)(CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000080880712	192198276	/nfs/dbraw/zinc/19/82/76/192198276.db2.gz	SDGLCPAKKVLOCU-LLVKDONJSA-N	-1	1	324.305	1.312	10	5		DDBEMM
Cn1cc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1	ZINC000187072810	200056641	/nfs/dbraw/zinc/05/66/41/200056641.db2.gz	SABHTYHUEZFXIR-NSHDSACASA-N	-1	1	317.305	1.406	10	5		DDBEMM
O=C(N[C@@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000007056223	284085377	/nfs/dbraw/zinc/08/53/77/284085377.db2.gz	YFTUPSVNVHQOBB-GFCCVEGCSA-N	-1	1	315.285	1.537	10	5		DDBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1O	ZINC000157658188	304798170	/nfs/dbraw/zinc/79/81/70/304798170.db2.gz	GLYHLDSSKOVYCO-VHSXEESVSA-N	-1	1	318.326	1.316	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000185652729	407470102	/nfs/dbraw/zinc/47/01/02/407470102.db2.gz	RBVRXCZNOCLINE-LLVKDONJSA-N	-1	1	317.305	1.786	10	5		DDBEMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCO1	ZINC000047671693	696200275	/nfs/dbraw/zinc/20/02/75/696200275.db2.gz	MPZKCKSJICOHED-PSASIEDQSA-N	-1	1	318.326	1.580	10	5		DDBEMM
CCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-]	ZINC000236889602	202055628	/nfs/dbraw/zinc/05/56/28/202055628.db2.gz	STVDWEACXSKKMI-SNVBAGLBSA-N	-1	1	306.278	1.454	10	5		DDBEMM
COCCNc1ncnc([N-]c2ccc(C)cn2)c1[N+](=O)[O-]	ZINC000040656959	183114783	/nfs/dbraw/zinc/11/47/83/183114783.db2.gz	HZAKDWRULLAKKA-UHFFFAOYSA-N	-1	1	304.310	1.890	10	5		DDBEMM
COC(=O)[C@@](O)(C=C([O-])c1ccc([N+](=O)[O-])cc1)C(F)(F)F	ZINC000536960086	421725006	/nfs/dbraw/zinc/72/50/06/421725006.db2.gz	OJDGPWVWAMNXMN-NSHDSACASA-N	-1	1	321.207	1.634	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000193728588	201111610	/nfs/dbraw/zinc/11/16/10/201111610.db2.gz	IUSGZDMNCBPFAI-ABAIWWIYSA-N	-1	1	321.333	1.463	10	5		DDBEMM
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCO1	ZINC000047671692	696200244	/nfs/dbraw/zinc/20/02/44/696200244.db2.gz	MPZKCKSJICOHED-WCBMZHEXSA-N	-1	1	318.326	1.580	10	5		DDBEMM
CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000092407311	185316616	/nfs/dbraw/zinc/31/66/16/185316616.db2.gz	PKAYOPLEDDAJQJ-SECBINFHSA-N	-1	1	324.305	1.168	10	5		DDBEMM
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(N)cc(=O)[n-]1	ZINC000061570454	184175000	/nfs/dbraw/zinc/17/50/00/184175000.db2.gz	DQCDMPTXQHIIOB-UHFFFAOYSA-N	-1	1	306.303	1.614	10	5		DDBEMM
O=C(N[C@H]1CCOc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187910553	274993466	/nfs/dbraw/zinc/99/34/66/274993466.db2.gz	QVLDVFGAERAIDP-NSHDSACASA-N	-1	1	315.285	1.949	10	5		DDBEMM
O=Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])o1	ZINC000088541271	185255742	/nfs/dbraw/zinc/25/57/42/185255742.db2.gz	CGZGQCOTNIMMKZ-UHFFFAOYSA-N	-1	1	310.287	1.479	10	5		DDBEMM
COc1ccc(CCNc2nc[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000040583781	183105191	/nfs/dbraw/zinc/10/51/91/183105191.db2.gz	XIIXIYAFVFXPDQ-UHFFFAOYSA-N	-1	1	320.305	1.350	10	5		DDBEMM
C[C@H](O)c1c[n-]c2c(ccc3c(=O)c([C@H](C)O)c[nH]c32)c1=O	ZINC000095535008	185379095	/nfs/dbraw/zinc/37/90/95/185379095.db2.gz	BCNOAGZTMBOVJP-YUMQZZPRSA-N	-1	1	300.314	1.476	10	5		DDBEMM
C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nn[n-]n1	ZINC000093434037	193250953	/nfs/dbraw/zinc/25/09/53/193250953.db2.gz	CYEJVQCNMXQSHK-BYPYZUCNSA-N	-1	1	314.103	1.439	10	5		DDBEMM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCO1	ZINC000066327677	407248540	/nfs/dbraw/zinc/24/85/40/407248540.db2.gz	QDZOXIASEWTUFQ-HTQZYQBOSA-N	-1	1	306.365	1.502	10	5		DDBEMM
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000047671690	696200208	/nfs/dbraw/zinc/20/02/08/696200208.db2.gz	MPZKCKSJICOHED-WPRPVWTQSA-N	-1	1	318.326	1.580	10	5		DDBEMM
O=C(N[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000195105888	284255999	/nfs/dbraw/zinc/25/59/99/284255999.db2.gz	JOKWILOTQPMVNZ-NSHDSACASA-N	-1	1	301.258	1.559	10	5		DDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C1CC1	ZINC000038039577	406998104	/nfs/dbraw/zinc/99/81/04/406998104.db2.gz	RHTUUXBRIOMZIV-UHFFFAOYSA-N	-1	1	321.152	1.798	10	5		DDBEMM
Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F	ZINC000040827986	183138664	/nfs/dbraw/zinc/13/86/64/183138664.db2.gz	LMGZKOZSOFEXJJ-UHFFFAOYSA-N	-1	1	318.261	1.705	10	5		DDBEMM
C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1F	ZINC000088357475	185246735	/nfs/dbraw/zinc/24/67/35/185246735.db2.gz	LYWWGCHPHZQPSA-UHFFFAOYSA-N	-1	1	313.104	1.405	10	5		DDBEMM
O=c1[n-][nH]c(=O)c2c1cc1cc(Br)ccc1[n+]2[O-]	ZINC000011686589	483919432	/nfs/dbraw/zinc/91/94/32/483919432.db2.gz	HIGOKJCMNNRPHC-UHFFFAOYSA-N	-1	1	308.091	1.178	10	5		DDBEMM
C[C@@H](O)c1c[n-]c2c(ccc3c(=O)c([C@@H](C)O)c[nH]c32)c1=O	ZINC000095535007	185379116	/nfs/dbraw/zinc/37/91/16/185379116.db2.gz	BCNOAGZTMBOVJP-HTQZYQBOSA-N	-1	1	300.314	1.476	10	5		DDBEMM
C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000121420582	408207506	/nfs/dbraw/zinc/20/75/06/408207506.db2.gz	WEGKBZYCZXAZRU-VXNVDRBHSA-N	-1	1	304.299	1.190	10	5		DDBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cc[nH]n2)CC1	ZINC000193604863	163259262	/nfs/dbraw/zinc/25/92/62/163259262.db2.gz	HTTNLAPIHZPACZ-UHFFFAOYSA-N	-1	1	317.305	1.438	10	5		DDBEMM
O=C(CCCC[P@@](=O)([O-])O)Nc1cccc([N+](=O)[O-])c1	ZINC000584613263	337372585	/nfs/dbraw/zinc/37/25/85/337372585.db2.gz	WSHVZMLGTWZVGU-UHFFFAOYSA-N	-1	1	302.223	1.881	10	5		DDBEMM
Cn1cc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1	ZINC000193591898	201082583	/nfs/dbraw/zinc/08/25/83/201082583.db2.gz	TXYVYVLHDWHRNW-VIFPVBQESA-N	-1	1	317.305	1.059	10	5		DDBEMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000047671691	696200368	/nfs/dbraw/zinc/20/03/68/696200368.db2.gz	MPZKCKSJICOHED-SCZZXKLOSA-N	-1	1	318.326	1.580	10	5		DDBEMM