smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCc2ncnn2C1	ZINC000113298571	395829426	/nfs/dbraw/zinc/82/94/26/395829426.db2.gz	SGXMYNJPZNMAOY-VIFPVBQESA-N	-1	3	323.334	0.480	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCO	ZINC000234859434	395891346	/nfs/dbraw/zinc/89/13/46/395891346.db2.gz	PXJUPNDTYUIIRK-UHFFFAOYSA-N	-1	3	304.324	0.654	10	5		DCBEHM
COc1nnc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])[n-]1	ZINC000182999492	396258326	/nfs/dbraw/zinc/25/83/26/396258326.db2.gz	CUHQVKHCCJBCKK-UHFFFAOYSA-N	-1	3	306.282	0.796	10	5		DCBEHM
COc1nc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n[n-]1	ZINC000182999492	396258329	/nfs/dbraw/zinc/25/83/29/396258329.db2.gz	CUHQVKHCCJBCKK-UHFFFAOYSA-N	-1	3	306.282	0.796	10	5		DCBEHM
COc1n[n-]c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1	ZINC000182999492	396258334	/nfs/dbraw/zinc/25/83/34/396258334.db2.gz	CUHQVKHCCJBCKK-UHFFFAOYSA-N	-1	3	306.282	0.796	10	5		DCBEHM
O=C(NC[C@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182133742	199391289	/nfs/dbraw/zinc/39/12/89/199391289.db2.gz	VHVOLRZMUIKGRP-LBPRGKRZSA-N	-1	3	323.349	0.877	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCO	ZINC000123632266	158232959	/nfs/dbraw/zinc/23/29/59/158232959.db2.gz	MNUKDSYUUSAUAY-MRVPVSSYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](O)C(C)C	ZINC000158862919	416002881	/nfs/dbraw/zinc/00/28/81/416002881.db2.gz	IRPRNKZFBZZQBY-SNVBAGLBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=C(NCCNc1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445179752	271746636	/nfs/dbraw/zinc/74/66/36/271746636.db2.gz	LAYWJDGNTPPDAM-UHFFFAOYSA-N	-1	3	303.278	0.354	10	5		DCBEHM
CC(C)N(C)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000054109040	1171826655	/nfs/dbraw/zinc/82/66/55/1171826655.db2.gz	RABMMWBCMLYWHX-UHFFFAOYSA-N	-1	3	317.367	0.919	10	5		DCBEHM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@H](O)C(F)F)c1	ZINC000435626014	416529309	/nfs/dbraw/zinc/52/93/09/416529309.db2.gz	JMNLYCBHDCWOOI-VIFPVBQESA-N	-1	3	310.278	0.640	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(CO)CC1	ZINC000167188394	396089646	/nfs/dbraw/zinc/08/96/46/396089646.db2.gz	CSDSWHGNDSFFGG-UHFFFAOYSA-N	-1	3	316.335	0.654	10	5		DCBEHM
O=C1[N-]C(=O)[C@]2(CCCN(Cc3csc([N+](=O)[O-])c3)C2)N1	ZINC000192673675	396435128	/nfs/dbraw/zinc/43/51/28/396435128.db2.gz	SEWUZCBKQYARBQ-GFCCVEGCSA-N	-1	3	310.335	0.830	10	5		DCBEHM
COc1cccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c1[O-]	ZINC000129937668	286991293	/nfs/dbraw/zinc/99/12/93/286991293.db2.gz	FQBCXWOWSBFWBT-UHFFFAOYSA-N	-1	3	306.278	0.936	10	5		DCBEHM
O=C([O-])[C@@H]1CNCCN1c1cnc2cc([N+](=O)[O-])ccc2n1	ZINC000095073761	304133872	/nfs/dbraw/zinc/13/38/72/304133872.db2.gz	SURUBXBABSMTKA-NSHDSACASA-N	-1	3	303.278	0.401	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-]CC[C@@H](C)O)c([N+](=O)[O-])c1	ZINC000086014729	395702655	/nfs/dbraw/zinc/70/26/55/395702655.db2.gz	JGHVIMCXQHOXOH-MRVPVSSYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
Cc1sc(S(=O)(=O)[N-]Cc2cn(C)nn2)cc1[N+](=O)[O-]	ZINC000613483115	397265465	/nfs/dbraw/zinc/26/54/65/397265465.db2.gz	VQOUWCVZUNMSBE-UHFFFAOYSA-N	-1	3	317.352	0.572	10	5		DCBEHM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@@H]1CCCCN1	ZINC000095091863	415550388	/nfs/dbraw/zinc/55/03/88/415550388.db2.gz	ILVPAOCWAQSYIX-VIFPVBQESA-N	-1	3	300.340	0.410	10	5		DCBEHM
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C[C@@H](O)C(F)F)c1	ZINC000435626013	416527729	/nfs/dbraw/zinc/52/77/29/416527729.db2.gz	JMNLYCBHDCWOOI-SECBINFHSA-N	-1	3	310.278	0.640	10	5		DCBEHM
O=C1[N-]c2cc(I)c([N+](=O)[O-])cc2C1=O	ZINC000757189355	670358663	/nfs/dbraw/zinc/35/86/63/670358663.db2.gz	NLWIIOHFPBJNRY-UHFFFAOYSA-N	-1	3	318.026	0.025	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2O)c(Cl)c1	ZINC000323521226	1190445353	/nfs/dbraw/zinc/44/53/53/1190445353.db2.gz	UDWASZXCGGODBA-BDAKNGLRSA-N	-1	3	322.726	0.286	10	5		DCBEHM
O=C(NC[C@@H](O)CN1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182133759	199391559	/nfs/dbraw/zinc/39/15/59/199391559.db2.gz	VHVOLRZMUIKGRP-GFCCVEGCSA-N	-1	3	323.349	0.877	10	5		DCBEHM
O=C(NC[C@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185110902	396318027	/nfs/dbraw/zinc/31/80/27/396318027.db2.gz	NCENHWWBMAMYRK-LBPRGKRZSA-N	-1	3	323.349	0.877	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C/C=C\CO	ZINC000594822031	396522414	/nfs/dbraw/zinc/52/24/14/396522414.db2.gz	XUEUMVRHLOOBHW-IHWYPQMZSA-N	-1	3	302.308	0.430	10	5		DCBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CC(CO)C1	ZINC000595400526	396603013	/nfs/dbraw/zinc/60/30/13/396603013.db2.gz	MBZRDUHHZVVQFW-UHFFFAOYSA-N	-1	3	300.336	0.952	10	5		DCBEHM
CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C	ZINC000178930474	416177358	/nfs/dbraw/zinc/17/73/58/416177358.db2.gz	YLUWGZVBWSIBEG-NSHDSACASA-N	-1	3	315.351	0.644	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000158858379	525060092	/nfs/dbraw/zinc/06/00/92/525060092.db2.gz	KOURCAVMOPSQNO-LLVKDONJSA-N	-1	3	318.351	0.899	10	5		DCBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)C(N)=O)c1	ZINC000161567333	525555768	/nfs/dbraw/zinc/55/57/68/525555768.db2.gz	CLLYTIPGGQFWJJ-ZCFIWIBFSA-N	-1	3	321.742	0.709	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)O	ZINC000087040128	395705528	/nfs/dbraw/zinc/70/55/28/395705528.db2.gz	FHIZOWMDFVMJSA-UHFFFAOYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000116977894	395849578	/nfs/dbraw/zinc/84/95/78/395849578.db2.gz	GXNJXSZDJBLWST-LLVKDONJSA-N	-1	3	309.322	0.703	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCO	ZINC000123632083	158233021	/nfs/dbraw/zinc/23/30/21/158233021.db2.gz	MNUKDSYUUSAUAY-QMMMGPOBSA-N	-1	3	304.324	0.653	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO	ZINC000158776396	416003065	/nfs/dbraw/zinc/00/30/65/416003065.db2.gz	KMXCGFQYQHQWDZ-RKDXNWHRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CO)CCC1	ZINC000164262959	132132295	/nfs/dbraw/zinc/13/22/95/132132295.db2.gz	WFVMEUGRTWCDHU-UHFFFAOYSA-N	-1	3	316.335	0.797	10	5		DCBEHM
CN(CC(=O)[O-])C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000262182850	282360396	/nfs/dbraw/zinc/36/03/96/282360396.db2.gz	XAABUXMQONOKRF-LLVKDONJSA-N	-1	3	324.337	0.399	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOC[C@@H]1O	ZINC000599493294	397457803	/nfs/dbraw/zinc/45/78/03/397457803.db2.gz	MVGFELYWWHYHHK-WPRPVWTQSA-N	-1	3	302.308	0.023	10	5		DCBEHM
O=C(NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436776713	416569764	/nfs/dbraw/zinc/56/97/64/416569764.db2.gz	WVVKANCTAZLLHA-UHFFFAOYSA-N	-1	3	302.290	0.959	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)C(C)C	ZINC000092407074	158113995	/nfs/dbraw/zinc/11/39/95/158113995.db2.gz	YEQAYVSNOPAUDK-JTQLQIEISA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1	ZINC000113298569	395829066	/nfs/dbraw/zinc/82/90/66/395829066.db2.gz	SGXMYNJPZNMAOY-SECBINFHSA-N	-1	3	323.334	0.480	10	5		DCBEHM
CCN1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619797867	397194112	/nfs/dbraw/zinc/19/41/12/397194112.db2.gz	VRPFRAJHQIPOPP-VIFPVBQESA-N	-1	3	313.335	0.494	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](C)O	ZINC000085990894	415506117	/nfs/dbraw/zinc/50/61/17/415506117.db2.gz	OEKWMZWXFXAIJS-MRVPVSSYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCF	ZINC000280794264	396221991	/nfs/dbraw/zinc/22/19/91/396221991.db2.gz	RAXOMRYDCLVHLK-UHFFFAOYSA-N	-1	3	306.271	0.629	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCn2ncnc21	ZINC000176744273	416133417	/nfs/dbraw/zinc/13/34/17/416133417.db2.gz	CEUSXUJHIRGGKD-VIFPVBQESA-N	-1	3	323.334	1.000	10	5		DCBEHM
COC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443760166	416779052	/nfs/dbraw/zinc/77/90/52/416779052.db2.gz	UWXXVERAXRDYPE-MRVPVSSYSA-N	-1	3	302.308	0.576	10	5		DCBEHM
CCC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000274401114	395945131	/nfs/dbraw/zinc/94/51/31/395945131.db2.gz	XUZQSAYEPSPOMT-UHFFFAOYSA-N	-1	3	302.308	0.861	10	5		DCBEHM
CN(C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1	ZINC000186578755	289201131	/nfs/dbraw/zinc/20/11/31/289201131.db2.gz	XUPYGIOOMPWZKG-LLVKDONJSA-N	-1	3	309.322	0.703	10	5		DCBEHM
CN(C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000182024431	289217437	/nfs/dbraw/zinc/21/74/37/289217437.db2.gz	JGVQSUJMKFKFIH-NSHDSACASA-N	-1	3	309.322	0.703	10	5		DCBEHM
COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC	ZINC000228409881	523959528	/nfs/dbraw/zinc/95/95/28/523959528.db2.gz	BNLWYYIABCOGHQ-UHFFFAOYSA-N	-1	3	318.307	0.306	10	5		DCBEHM
CN1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285987694	396367698	/nfs/dbraw/zinc/36/76/98/396367698.db2.gz	YDCOTTOPJQXPHQ-ZIAGYGMSSA-N	-1	3	321.333	0.846	10	5		DCBEHM
O=C1NCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000594791758	396515936	/nfs/dbraw/zinc/51/59/36/396515936.db2.gz	OIRULARSEXWKCT-MRVPVSSYSA-N	-1	3	319.726	0.415	10	5		DCBEHM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CO	ZINC000228410369	521918326	/nfs/dbraw/zinc/91/83/26/521918326.db2.gz	NFGFOBMQKXECRO-ZETCQYMHSA-N	-1	3	318.307	0.041	10	5		DCBEHM
COC(=O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000040419767	183064044	/nfs/dbraw/zinc/06/40/44/183064044.db2.gz	HLVVEQQAWIGMQY-UHFFFAOYSA-N	-1	3	318.307	0.445	10	5		DCBEHM
CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC	ZINC000267923418	396358340	/nfs/dbraw/zinc/35/83/40/396358340.db2.gz	QVGHUQDTJMEAFN-MRVPVSSYSA-N	-1	3	302.308	0.825	10	5		DCBEHM
Nc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000020201301	182196856	/nfs/dbraw/zinc/19/68/56/182196856.db2.gz	VDXKUWUQGYWSAL-UHFFFAOYSA-N	-1	3	315.336	0.507	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cn[nH]c1	ZINC000038007178	182960436	/nfs/dbraw/zinc/96/04/36/182960436.db2.gz	HYCQZWNQEBYANM-UHFFFAOYSA-N	-1	3	312.307	0.805	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCn1ccnn1	ZINC000183161690	396263924	/nfs/dbraw/zinc/26/39/24/396263924.db2.gz	HIAVXBURCAYXKQ-UHFFFAOYSA-N	-1	3	311.323	0.555	10	5		DCBEHM
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183339220	396267442	/nfs/dbraw/zinc/26/74/42/396267442.db2.gz	LXKCTVIQHAJHNL-GFCCVEGCSA-N	-1	3	323.349	0.877	10	5		DCBEHM
Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1	ZINC000066001542	158035140	/nfs/dbraw/zinc/03/51/40/158035140.db2.gz	RKUQRVLJGDPMLW-UHFFFAOYSA-N	-1	3	302.337	0.868	10	5		DCBEHM
O=C([O-])[C@H]1CNCCN1c1cnc2cc([N+](=O)[O-])ccc2n1	ZINC000095073760	304198894	/nfs/dbraw/zinc/19/88/94/304198894.db2.gz	SURUBXBABSMTKA-LLVKDONJSA-N	-1	3	303.278	0.401	10	5		DCBEHM
CC[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035610410	395721264	/nfs/dbraw/zinc/72/12/64/395721264.db2.gz	MYGGNJMXQJHSGR-MRVPVSSYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
O=C1[N-]C(=O)[C@@]2(CCCN(Cc3csc([N+](=O)[O-])c3)C2)N1	ZINC000192673687	396434783	/nfs/dbraw/zinc/43/47/83/396434783.db2.gz	SEWUZCBKQYARBQ-LBPRGKRZSA-N	-1	3	310.335	0.830	10	5		DCBEHM
COC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035164480	395719357	/nfs/dbraw/zinc/71/93/57/395719357.db2.gz	GFTZIDJCXQRGJN-UHFFFAOYSA-N	-1	3	304.280	0.055	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000091537972	395725715	/nfs/dbraw/zinc/72/57/15/395725715.db2.gz	GJNYGWJAXNZXFM-UHFFFAOYSA-N	-1	3	316.335	0.653	10	5		DCBEHM
Cn1cc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])nn1	ZINC000612682107	397119827	/nfs/dbraw/zinc/11/98/27/397119827.db2.gz	GEJNUZSSTDLIGA-UHFFFAOYSA-N	-1	3	311.323	0.343	10	5		DCBEHM
CN1CC[C@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1	ZINC000285987691	396367915	/nfs/dbraw/zinc/36/79/15/396367915.db2.gz	YDCOTTOPJQXPHQ-UONOGXRCSA-N	-1	3	321.333	0.846	10	5		DCBEHM
O=C1NCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000594791759	396516000	/nfs/dbraw/zinc/51/60/00/396516000.db2.gz	OIRULARSEXWKCT-QMMMGPOBSA-N	-1	3	319.726	0.415	10	5		DCBEHM
CN1CC[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000037647600	1171441616	/nfs/dbraw/zinc/44/16/16/1171441616.db2.gz	ODXQMGRCWNXHEF-VIFPVBQESA-N	-1	3	315.351	0.530	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000091525812	395726011	/nfs/dbraw/zinc/72/60/11/395726011.db2.gz	UTBDLJJKDGOWME-UHFFFAOYSA-N	-1	3	316.335	0.653	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H](C)O	ZINC000085990945	415504220	/nfs/dbraw/zinc/50/42/20/415504220.db2.gz	VTLYGDWKOZSADE-MRVPVSSYSA-N	-1	3	304.324	0.653	10	5		DCBEHM
CN(C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000152089848	396000544	/nfs/dbraw/zinc/00/05/44/396000544.db2.gz	CGQMGTUCUZMPNZ-JTQLQIEISA-N	-1	3	309.322	0.703	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)C(C)C	ZINC000092407072	158113770	/nfs/dbraw/zinc/11/37/70/158113770.db2.gz	YEQAYVSNOPAUDK-SNVBAGLBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
Cc1sc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000408143911	160046698	/nfs/dbraw/zinc/04/66/98/160046698.db2.gz	DPFVLDCWULJDQI-QMMMGPOBSA-N	-1	3	324.318	0.341	10	5		DCBEHM
C[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000097106846	415585467	/nfs/dbraw/zinc/58/54/67/415585467.db2.gz	OOACTAIQSZCLFL-JTQLQIEISA-N	-1	3	308.338	0.887	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(O)CCC1	ZINC000158623469	416001310	/nfs/dbraw/zinc/00/13/10/416001310.db2.gz	UBGGBTGZQKCUOW-UHFFFAOYSA-N	-1	3	316.335	0.797	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819007	416003339	/nfs/dbraw/zinc/00/33/39/416003339.db2.gz	DDUIFUVOVXCDMY-DTWKUNHWSA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncc[nH]2)c(F)c1	ZINC000080624329	1174484924	/nfs/dbraw/zinc/48/49/24/1174484924.db2.gz	ZLIDBQJFMANJSC-UHFFFAOYSA-N	-1	3	300.271	0.936	10	5		DCBEHM
CN(C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1	ZINC000182024411	199375839	/nfs/dbraw/zinc/37/58/39/199375839.db2.gz	JGVQSUJMKFKFIH-LLVKDONJSA-N	-1	3	309.322	0.703	10	5		DCBEHM
CCN1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O	ZINC000619797866	397193549	/nfs/dbraw/zinc/19/35/49/397193549.db2.gz	VRPFRAJHQIPOPP-SECBINFHSA-N	-1	3	313.335	0.494	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-]C[C@H](O)C(C)C)c([N+](=O)[O-])c1	ZINC000158858528	416003859	/nfs/dbraw/zinc/00/38/59/416003859.db2.gz	KOURCAVMOPSQNO-NSHDSACASA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCn2ncnc21	ZINC000176744257	416133298	/nfs/dbraw/zinc/13/32/98/416133298.db2.gz	CEUSXUJHIRGGKD-SECBINFHSA-N	-1	3	323.334	1.000	10	5		DCBEHM
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@@H]3CCCNC3)[n-]c2c1	ZINC000095092094	415549695	/nfs/dbraw/zinc/54/96/95/415549695.db2.gz	JVUVGBICYZUMPK-SECBINFHSA-N	-1	3	310.335	0.997	10	5		DCBEHM
O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)[C@@H]3CCCNC3)nc2c1	ZINC000095092094	415549700	/nfs/dbraw/zinc/54/97/00/415549700.db2.gz	JVUVGBICYZUMPK-SECBINFHSA-N	-1	3	310.335	0.997	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819131	416003696	/nfs/dbraw/zinc/00/36/96/416003696.db2.gz	DDUIFUVOVXCDMY-RKDXNWHRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC(N)=O)c1	ZINC000183502327	416241446	/nfs/dbraw/zinc/24/14/46/416241446.db2.gz	TXCRCUUHQWORHI-UHFFFAOYSA-N	-1	3	321.742	0.710	10	5		DCBEHM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)C(N)=O)c1	ZINC000161567209	525556459	/nfs/dbraw/zinc/55/64/59/525556459.db2.gz	CLLYTIPGGQFWJJ-LURJTMIESA-N	-1	3	321.742	0.709	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2O)c(F)c1	ZINC000178648135	1185051705	/nfs/dbraw/zinc/05/17/05/1185051705.db2.gz	CBVOVZCTTBVVMM-UWVGGRQHSA-N	-1	3	304.299	0.926	10	5		DCBEHM
Cn1cc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)nn1	ZINC000611934993	396951591	/nfs/dbraw/zinc/95/15/91/396951591.db2.gz	KGWVEXXEDXEZPM-UHFFFAOYSA-N	-1	3	311.323	0.343	10	5		DCBEHM
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@@H](N)C(=O)[O-]	ZINC000072266931	191089833	/nfs/dbraw/zinc/08/98/33/191089833.db2.gz	ATNVWKDWOLQDKH-MRVPVSSYSA-N	-1	3	309.278	0.295	10	5	in-vitro	DCBEHM
COc1ccc(S(=O)(=O)[N-]C2(CO)CC2)c([N+](=O)[O-])c1	ZINC000164246535	396087967	/nfs/dbraw/zinc/08/79/67/396087967.db2.gz	AAQGNSMJWNWYGT-UHFFFAOYSA-N	-1	3	302.308	0.407	10	5		DCBEHM
CN1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@@H]2C1	ZINC000285987689	396367786	/nfs/dbraw/zinc/36/77/86/396367786.db2.gz	YDCOTTOPJQXPHQ-KGLIPLIRSA-N	-1	3	321.333	0.846	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO	ZINC000158832894	416003391	/nfs/dbraw/zinc/00/33/91/416003391.db2.gz	RGBIWUMGKKJMDV-DTWKUNHWSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819265	416003654	/nfs/dbraw/zinc/00/36/54/416003654.db2.gz	DDUIFUVOVXCDMY-IUCAKERBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)CO	ZINC000158776281	416003689	/nfs/dbraw/zinc/00/36/89/416003689.db2.gz	KMXCGFQYQHQWDZ-DTWKUNHWSA-N	-1	3	318.351	0.899	10	5		DCBEHM
CCOC(=O)C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443781224	416780385	/nfs/dbraw/zinc/78/03/85/416780385.db2.gz	PQIDYXOCMVOZPJ-UHFFFAOYSA-N	-1	3	302.308	0.577	10	5		DCBEHM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CO	ZINC000228410377	521917272	/nfs/dbraw/zinc/91/72/72/521917272.db2.gz	NFGFOBMQKXECRO-SSDOTTSWSA-N	-1	3	318.307	0.041	10	5		DCBEHM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)O	ZINC000228410345	521918434	/nfs/dbraw/zinc/91/84/34/521918434.db2.gz	VMUHFZQJPXHZPC-SSDOTTSWSA-N	-1	3	318.307	0.041	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@H](C)CO	ZINC000158833007	416003842	/nfs/dbraw/zinc/00/38/42/416003842.db2.gz	RGBIWUMGKKJMDV-RKDXNWHRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO	ZINC000158833120	525474509	/nfs/dbraw/zinc/47/45/09/525474509.db2.gz	RGBIWUMGKKJMDV-IUCAKERBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000042305952	183252213	/nfs/dbraw/zinc/25/22/13/183252213.db2.gz	YXQNNVZPRZZGTD-SSDOTTSWSA-N	-1	3	318.307	0.443	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC[C@H]1O	ZINC000599493291	397457657	/nfs/dbraw/zinc/45/76/57/397457657.db2.gz	MVGFELYWWHYHHK-PSASIEDQSA-N	-1	3	302.308	0.023	10	5		DCBEHM
O=C(NCCNc1ccncc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436610933	416565341	/nfs/dbraw/zinc/56/53/41/416565341.db2.gz	YCNUJRVVNWKLBI-UHFFFAOYSA-N	-1	3	302.290	0.959	10	5		DCBEHM
O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436604141	416564189	/nfs/dbraw/zinc/56/41/89/416564189.db2.gz	NZOBTFIRABPJHQ-UHFFFAOYSA-N	-1	3	302.290	0.959	10	5		DCBEHM
CCOC(=O)C([O-])=Cc1cc(C2OCCO2)ncc1[N+](=O)[O-]	ZINC000197055094	520402193	/nfs/dbraw/zinc/40/21/93/520402193.db2.gz	OJZFKHWTCIANAD-UHFFFAOYSA-N	-1	3	310.262	0.710	10	5		DCBEHM
COCCN(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000155529634	291220882	/nfs/dbraw/zinc/22/08/82/291220882.db2.gz	CXLXGQCQTQFVSH-UHFFFAOYSA-N	-1	3	323.396	0.513	10	5		DCBEHM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C	ZINC000178930485	416178281	/nfs/dbraw/zinc/17/82/81/416178281.db2.gz	YLUWGZVBWSIBEG-LLVKDONJSA-N	-1	3	315.351	0.644	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)CCO	ZINC000097444990	395758010	/nfs/dbraw/zinc/75/80/10/395758010.db2.gz	MPOAPCTUOSGDGR-VIFPVBQESA-N	-1	3	318.351	0.900	10	5		DCBEHM
Cn1nccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000056040437	395926016	/nfs/dbraw/zinc/92/60/16/395926016.db2.gz	HVHIBANDDQPLGR-UHFFFAOYSA-N	-1	3	314.298	0.946	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](C)O	ZINC000085990943	415506216	/nfs/dbraw/zinc/50/62/16/415506216.db2.gz	VTLYGDWKOZSADE-QMMMGPOBSA-N	-1	3	304.324	0.653	10	5		DCBEHM
Cc1sc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc1[N+](=O)[O-]	ZINC000408143907	160047170	/nfs/dbraw/zinc/04/71/70/160047170.db2.gz	DPFVLDCWULJDQI-MRVPVSSYSA-N	-1	3	324.318	0.341	10	5		DCBEHM
CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC	ZINC000267923419	396358302	/nfs/dbraw/zinc/35/83/02/396358302.db2.gz	QVGHUQDTJMEAFN-QMMMGPOBSA-N	-1	3	302.308	0.825	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](O)C(C)C	ZINC000158843828	416003722	/nfs/dbraw/zinc/00/37/22/416003722.db2.gz	GASXHOBKVFDDOO-SNVBAGLBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)O	ZINC000228410354	521917450	/nfs/dbraw/zinc/91/74/50/521917450.db2.gz	VMUHFZQJPXHZPC-ZETCQYMHSA-N	-1	3	318.307	0.041	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(O)C2)c(F)c1	ZINC000091524202	395726106	/nfs/dbraw/zinc/72/61/06/395726106.db2.gz	NREKGHSWRIJARO-UHFFFAOYSA-N	-1	3	304.299	0.783	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(CO)CC1	ZINC000164239913	396087325	/nfs/dbraw/zinc/08/73/25/396087325.db2.gz	GLZMNSQJXCEIOK-UHFFFAOYSA-N	-1	3	302.308	0.407	10	5		DCBEHM
O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]C[C@H]1CCCCN1	ZINC000095091864	415548822	/nfs/dbraw/zinc/54/88/22/415548822.db2.gz	ILVPAOCWAQSYIX-SECBINFHSA-N	-1	3	300.340	0.410	10	5		DCBEHM
O=C(NC[C@H](O)CN1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000183339202	396267299	/nfs/dbraw/zinc/26/72/99/396267299.db2.gz	LXKCTVIQHAJHNL-LBPRGKRZSA-N	-1	3	323.349	0.877	10	5		DCBEHM
Cc1ccn2c(c1)nnc2[N-]C(=O)c1c([N+](=O)[O-])cnn1C	ZINC000126258428	415872962	/nfs/dbraw/zinc/87/29/62/415872962.db2.gz	RHLNTRAKMCAANF-UHFFFAOYSA-N	-1	3	301.266	0.932	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)CO	ZINC000158776521	416003662	/nfs/dbraw/zinc/00/36/62/416003662.db2.gz	KMXCGFQYQHQWDZ-IUCAKERBSA-N	-1	3	318.351	0.899	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)CCO	ZINC000097444992	395758015	/nfs/dbraw/zinc/75/80/15/395758015.db2.gz	MPOAPCTUOSGDGR-SECBINFHSA-N	-1	3	318.351	0.900	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](O)C1CC1	ZINC000071304965	396112678	/nfs/dbraw/zinc/11/26/78/396112678.db2.gz	QPGGNQXEQVHOLG-JTQLQIEISA-N	-1	3	316.335	0.653	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](O)C(C)C	ZINC000158863083	416003128	/nfs/dbraw/zinc/00/31/28/416003128.db2.gz	IRPRNKZFBZZQBY-JTQLQIEISA-N	-1	3	318.351	0.899	10	5		DCBEHM
CN1CCN(N=c2[n-]cnc(N3CCCC3)c2[N+](=O)[O-])CC1	ZINC000040608982	183108618	/nfs/dbraw/zinc/10/86/18/183108618.db2.gz	HZNZERRGYIRPLR-UHFFFAOYSA-N	-1	3	307.358	0.559	10	5		DCBEHM
CN1CCN(N=c2nc[n-]c(N3CCCC3)c2[N+](=O)[O-])CC1	ZINC000040608982	183108619	/nfs/dbraw/zinc/10/86/19/183108619.db2.gz	HZNZERRGYIRPLR-UHFFFAOYSA-N	-1	3	307.358	0.559	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)CO	ZINC000160356350	396074099	/nfs/dbraw/zinc/07/40/99/396074099.db2.gz	YRYMVPRUPGWFPM-UHFFFAOYSA-N	-1	3	318.351	0.900	10	5		DCBEHM
Cc1nc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)no1	ZINC000173399279	198211587	/nfs/dbraw/zinc/21/15/87/198211587.db2.gz	HAYBVUNJUFNLPJ-UHFFFAOYSA-N	-1	3	312.307	0.906	10	5		DCBEHM
Cn1nccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000066327674	158036037	/nfs/dbraw/zinc/03/60/37/158036037.db2.gz	PIROGPOLDJFHSS-UHFFFAOYSA-N	-1	3	302.337	0.868	10	5		DCBEHM
O=[N+]([O-])c1ccc2nc(S(=O)(=O)[C@H]3CCCNC3)[n-]c2c1	ZINC000095092095	415547343	/nfs/dbraw/zinc/54/73/43/415547343.db2.gz	JVUVGBICYZUMPK-VIFPVBQESA-N	-1	3	310.335	0.997	10	5		DCBEHM
O=[N+]([O-])c1ccc2[n-]c(S(=O)(=O)[C@H]3CCCNC3)nc2c1	ZINC000095092095	415547349	/nfs/dbraw/zinc/54/73/49/415547349.db2.gz	JVUVGBICYZUMPK-VIFPVBQESA-N	-1	3	310.335	0.997	10	5		DCBEHM
COC(=O)CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000298668525	416021284	/nfs/dbraw/zinc/02/12/84/416021284.db2.gz	SGEZJKDQLNZTOB-UHFFFAOYSA-N	-1	3	302.308	0.826	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOC[C@H]1O	ZINC000599493293	397458223	/nfs/dbraw/zinc/45/82/23/397458223.db2.gz	MVGFELYWWHYHHK-WCBMZHEXSA-N	-1	3	302.308	0.023	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO	ZINC000158833270	525474936	/nfs/dbraw/zinc/47/49/36/525474936.db2.gz	RGBIWUMGKKJMDV-BDAKNGLRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc[nH]n2)c(F)c1	ZINC000043592345	1171547562	/nfs/dbraw/zinc/54/75/62/1171547562.db2.gz	XLGAQVRTXVDQIB-UHFFFAOYSA-N	-1	3	300.271	0.936	10	5		DCBEHM
C[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000097106845	415585609	/nfs/dbraw/zinc/58/56/09/415585609.db2.gz	OOACTAIQSZCLFL-SNVBAGLBSA-N	-1	3	308.338	0.887	10	5		DCBEHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC[C@@H]1O	ZINC000599493292	397458233	/nfs/dbraw/zinc/45/82/33/397458233.db2.gz	MVGFELYWWHYHHK-SCZZXKLOSA-N	-1	3	302.308	0.023	10	5		DCBEHM
O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@]2(C1)NC(=O)[N-]C2=O	ZINC000447749446	417024727	/nfs/dbraw/zinc/02/47/27/417024727.db2.gz	ZZBUUXVYCBJSGY-GFCCVEGCSA-N	-1	3	324.318	0.471	10	5		DCBEHM
COCC(COC)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000451887629	417409586	/nfs/dbraw/zinc/40/95/86/417409586.db2.gz	HHHCIOSOGQEBHO-UHFFFAOYSA-N	-1	3	318.351	0.676	10	5		DCBEHM
CN1CCN(Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])CC1	ZINC000040623721	183109970	/nfs/dbraw/zinc/10/99/70/183109970.db2.gz	GULUMDXWIUPZJL-UHFFFAOYSA-N	-1	3	324.389	0.674	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CO)CC1	ZINC000164242423	396087786	/nfs/dbraw/zinc/08/77/86/396087786.db2.gz	YUSWCRULNHDISM-UHFFFAOYSA-N	-1	3	302.308	0.407	10	5		DCBEHM
CO[C@@](C)(CO)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594485389	397562171	/nfs/dbraw/zinc/56/21/71/397562171.db2.gz	RQHMXZPZVHDRKK-LLVKDONJSA-N	-1	3	304.324	0.271	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)CO	ZINC000158776647	416003259	/nfs/dbraw/zinc/00/32/59/416003259.db2.gz	KMXCGFQYQHQWDZ-BDAKNGLRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
Cc1nc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)no1	ZINC000154752044	291215403	/nfs/dbraw/zinc/21/54/03/291215403.db2.gz	MZXQMSTWTCGRNP-UHFFFAOYSA-N	-1	3	312.307	0.906	10	5		DCBEHM
CN(C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCO1	ZINC000152089753	396000333	/nfs/dbraw/zinc/00/03/33/396000333.db2.gz	CGQMGTUCUZMPNZ-SNVBAGLBSA-N	-1	3	309.322	0.703	10	5		DCBEHM
CCN(CCO)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000184342302	261118555	/nfs/dbraw/zinc/11/85/55/261118555.db2.gz	FLVGAGNKZWONMS-UHFFFAOYSA-N	-1	3	323.396	0.249	10	5		DCBEHM
COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000042305949	183252249	/nfs/dbraw/zinc/25/22/49/183252249.db2.gz	YXQNNVZPRZZGTD-ZETCQYMHSA-N	-1	3	318.307	0.443	10	5		DCBEHM
CN1CC[C@@H]2OCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[C@H]2C1	ZINC000285987687	396367810	/nfs/dbraw/zinc/36/78/10/396367810.db2.gz	YDCOTTOPJQXPHQ-KBPBESRZSA-N	-1	3	321.333	0.846	10	5		DCBEHM
COC(=O)/C=C(/C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000584611385	337372236	/nfs/dbraw/zinc/37/22/36/337372236.db2.gz	AEWGTSCUKIDZGT-FPLPWBNLSA-N	-1	3	300.292	0.950	10	5		DCBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CC(O)C1	ZINC000091524687	395726136	/nfs/dbraw/zinc/72/61/36/395726136.db2.gz	DAFTZOFOXRNVMO-UHFFFAOYSA-N	-1	3	300.336	0.952	10	5		DCBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2ccnc2)s1	ZINC000098117514	158126526	/nfs/dbraw/zinc/12/65/26/158126526.db2.gz	FVJLYKOFSMSWNY-UHFFFAOYSA-N	-1	3	302.337	0.831	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1	ZINC000158819357	416003241	/nfs/dbraw/zinc/00/32/41/416003241.db2.gz	DDUIFUVOVXCDMY-BDAKNGLRSA-N	-1	3	318.351	0.899	10	5		DCBEHM
CN(C)C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000160432354	521882923	/nfs/dbraw/zinc/88/29/23/521882923.db2.gz	JEGKONSODJXMJR-NSHDSACASA-N	-1	3	309.322	0.703	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ncc[nH]1	ZINC000080624188	396283619	/nfs/dbraw/zinc/28/36/19/396283619.db2.gz	XYMLXRLZOFRTCB-UHFFFAOYSA-N	-1	3	312.307	0.805	10	5		DCBEHM
O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O	ZINC000447749447	417025273	/nfs/dbraw/zinc/02/52/73/417025273.db2.gz	ZZBUUXVYCBJSGY-LBPRGKRZSA-N	-1	3	324.318	0.471	10	5		DCBEHM
COc1ccc(S(=O)(=O)[N-]CC2CC(O)C2)c([N+](=O)[O-])c1	ZINC000091538609	395725948	/nfs/dbraw/zinc/72/59/48/395725948.db2.gz	FLLZGPIAMPELIA-UHFFFAOYSA-N	-1	3	316.335	0.653	10	5		DCBEHM
O=C(NC[C@@H](O)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185110922	396317934	/nfs/dbraw/zinc/31/79/34/396317934.db2.gz	NCENHWWBMAMYRK-GFCCVEGCSA-N	-1	3	323.349	0.877	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C/C=C/CO	ZINC000594822032	396522218	/nfs/dbraw/zinc/52/22/18/396522218.db2.gz	XUEUMVRHLOOBHW-NSCUHMNNSA-N	-1	3	302.308	0.430	10	5		DCBEHM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cn(C)nn1	ZINC000611935426	396951295	/nfs/dbraw/zinc/95/12/95/396951295.db2.gz	QLNZXHWPBMRNAI-UHFFFAOYSA-N	-1	3	311.323	0.510	10	5		DCBEHM
COC(=O)[C@H](C)[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000443712711	416775017	/nfs/dbraw/zinc/77/50/17/416775017.db2.gz	UWXXVERAXRDYPE-QMMMGPOBSA-N	-1	3	302.308	0.576	10	5		DCBEHM
CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCO1	ZINC000116977897	395849724	/nfs/dbraw/zinc/84/97/24/395849724.db2.gz	GXNJXSZDJBLWST-NSHDSACASA-N	-1	3	309.322	0.703	10	5		DCBEHM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](O)C(C)C	ZINC000158843977	416002700	/nfs/dbraw/zinc/00/27/00/416002700.db2.gz	GASXHOBKVFDDOO-JTQLQIEISA-N	-1	3	318.351	0.899	10	5		DCBEHM
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000021026873	182262115	/nfs/dbraw/zinc/26/21/15/182262115.db2.gz	VDUIDQIKBFRNGQ-UHFFFAOYSA-N	-1	3	310.653	0.877	10	5		DCBEHM
CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000035610409	395721215	/nfs/dbraw/zinc/72/12/15/395721215.db2.gz	MYGGNJMXQJHSGR-QMMMGPOBSA-N	-1	3	304.324	0.653	10	5		DCBEHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](O)C1CC1	ZINC000071304967	396112456	/nfs/dbraw/zinc/11/24/56/396112456.db2.gz	QPGGNQXEQVHOLG-SNVBAGLBSA-N	-1	3	316.335	0.653	10	5		DCBEHM
Cn1cc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nn1	ZINC000611935476	396951421	/nfs/dbraw/zinc/95/14/21/396951421.db2.gz	SRBWZELWZMLXDE-UHFFFAOYSA-N	-1	3	311.323	0.343	10	5		DCBEHM
CO[C@](C)(CO)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000594485390	397561937	/nfs/dbraw/zinc/56/19/37/397561937.db2.gz	RQHMXZPZVHDRKK-NSHDSACASA-N	-1	3	304.324	0.271	10	5		DCBEHM
CN(C)C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000160432264	521851199	/nfs/dbraw/zinc/85/11/99/521851199.db2.gz	JEGKONSODJXMJR-LLVKDONJSA-N	-1	3	309.322	0.703	10	5		DCBEHM
CN1CC[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1	ZINC000037647599	1171441357	/nfs/dbraw/zinc/44/13/57/1171441357.db2.gz	ODXQMGRCWNXHEF-SECBINFHSA-N	-1	3	315.351	0.530	10	5		DCBEHM
CN(C)C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1	ZINC000186578774	289217399	/nfs/dbraw/zinc/21/73/99/289217399.db2.gz	XUPYGIOOMPWZKG-NSHDSACASA-N	-1	3	309.322	0.703	10	5		DCBEHM
CCOC(=O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC	ZINC000037565041	395727773	/nfs/dbraw/zinc/72/77/73/395727773.db2.gz	VLRSEDYRQUXOHJ-UHFFFAOYSA-N	-1	3	318.307	0.445	10	5		DCBEHM