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)Nc1cccc(-c2nnco2)c1	ZINC000135940611	463207891	/nfs/dbraw/zinc/20/78/91/463207891.db2.gz	GTBXZJHBCXGZGV-UHFFFAOYSA-N	0	2	346.324	2.446	40	5		EEBBLN
CN(C)c1ccc(-n2c3ccccc3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000059497753	463644611	/nfs/dbraw/zinc/64/46/11/463644611.db2.gz	MRKLTFPFZHEUFY-UHFFFAOYSA-N	0	2	332.363	2.245	40	5		EEBBLN
COC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000005260055	462653292	/nfs/dbraw/zinc/65/32/92/462653292.db2.gz	ZPAFFJSMVLFFHX-UHFFFAOYSA-N	0	2	336.325	2.182	40	5		EEBBLN
Nc1c(NS(=O)(=O)c2cc(F)c(F)cc2F)cccc1[N+](=O)[O-]	ZINC000097379511	463357643	/nfs/dbraw/zinc/35/76/43/463357643.db2.gz	JNWVQEIZQDVRIM-UHFFFAOYSA-N	0	2	347.274	2.395	40	5		EEBBLN
Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000097373284	463355233	/nfs/dbraw/zinc/35/52/33/463355233.db2.gz	IJHWWEBNIJQJSM-GFCCVEGCSA-N	0	2	344.371	2.129	40	5		EEBBLN
CCc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004719481	210258114	/nfs/dbraw/zinc/25/81/14/210258114.db2.gz	KUFUWIKTNNTXLY-GQCTYLIASA-N	0	2	332.272	2.025	40	5		EEBBLN
CC(C)c1cc(NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]n1	ZINC000096469249	463277591	/nfs/dbraw/zinc/27/75/91/463277591.db2.gz	YYYWEAHWNCINDX-UHFFFAOYSA-N	0	2	328.325	2.381	40	5		EEBBLN
CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000010515288	211178603	/nfs/dbraw/zinc/17/86/03/211178603.db2.gz	PQAMYSJMOUUQFE-UHFFFAOYSA-N	0	2	349.368	2.097	40	5		EEBBLN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2O)sc2nc3ccccc3n12	ZINC000003042815	462609952	/nfs/dbraw/zinc/60/99/52/462609952.db2.gz	TYRXPSWONSTTHM-JYRVWZFOSA-N	0	2	339.332	2.071	40	5		EEBBLN
CCCn1cc(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)cn1	ZINC000097098499	463323095	/nfs/dbraw/zinc/32/30/95/463323095.db2.gz	IGANVRKDHZIONI-UHFFFAOYSA-N	0	2	342.352	2.450	40	5		EEBBLN
O=[N+]([O-])c1ccc(C2=C[S@@](=O)N(c3ccc([N+](=O)[O-])cc3)N2)cc1	ZINC000256055590	463754983	/nfs/dbraw/zinc/75/49/83/463754983.db2.gz	MJDRFYMSYZEMCF-XMMPIXPASA-N	0	2	346.324	2.391	40	5		EEBBLN
O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000074829678	462640639	/nfs/dbraw/zinc/64/06/39/462640639.db2.gz	CWWLELCLNNJFRU-OLZOCXBDSA-N	0	2	330.344	2.411	40	5		EEBBLN
COc1ccc(-n2c3cccc(F)c3cc3c(=O)[nH]c(=O)nc2-3)cc1	ZINC000041076624	295050499	/nfs/dbraw/zinc/05/04/99/295050499.db2.gz	JKAZGRPUVXTKJF-UHFFFAOYSA-N	0	2	337.310	2.327	40	5		EEBBLN
O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000074829677	303842433	/nfs/dbraw/zinc/84/24/33/303842433.db2.gz	CWWLELCLNNJFRU-CHWSQXEVSA-N	0	2	330.344	2.411	40	5		EEBBLN
CN1C[C@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408567703	257896254	/nfs/dbraw/zinc/89/62/54/257896254.db2.gz	QYYWYOLSMLAVAH-SKDZVZGDSA-N	0	2	341.342	2.348	40	5		EEBBLN
O=C(/C=C/c1ccco1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036569443	213101207	/nfs/dbraw/zinc/10/12/07/213101207.db2.gz	VRILKCORYMXQPV-GQCTYLIASA-N	0	2	333.325	2.420	40	5		EEBBLN
CN(Cc1nccn1C(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000097097046	323320644	/nfs/dbraw/zinc/32/06/44/323320644.db2.gz	IEBBLRINCRKJKE-UHFFFAOYSA-N	0	2	326.259	2.164	40	5		EEBBLN
CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc(C)n1	ZINC000180762956	464389349	/nfs/dbraw/zinc/38/93/49/464389349.db2.gz	AHXJOYOPGXFJAX-UHFFFAOYSA-N	0	2	336.373	2.365	40	5		EEBBLN
CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000004454549	210193194	/nfs/dbraw/zinc/19/31/94/210193194.db2.gz	YTGCJARYHWSDDH-FNORWQNLSA-N	0	2	347.327	2.352	40	5		EEBBLN
O=c1nc2n(Cc3ccco3)c3nc4ccccc4cc3cc-2c(=O)[nH]1	ZINC000041074105	304819574	/nfs/dbraw/zinc/81/95/74/304819574.db2.gz	FKCKOIQQXDQELR-UHFFFAOYSA-N	0	2	344.330	2.379	40	5		EEBBLN
COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005392676	210456379	/nfs/dbraw/zinc/45/63/79/210456379.db2.gz	GYMCWTSRACBFPJ-UHFFFAOYSA-N	0	2	336.325	2.182	40	5		EEBBLN
COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000035276508	213017333	/nfs/dbraw/zinc/01/73/33/213017333.db2.gz	FTJBUTBWZNNMTA-UHFFFAOYSA-N	0	2	347.352	2.436	40	5		EEBBLN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3nsnc32)cc1	ZINC000003011943	1350072077	/nfs/dbraw/zinc/07/20/77/1350072077.db2.gz	CIEDBNGGMPQUPW-UHFFFAOYSA-N	0	2	336.354	2.400	40	5		EEBBLN
CC[C@@H](C)Oc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000006355870	462683766	/nfs/dbraw/zinc/68/37/66/462683766.db2.gz	IUKJMYKEYFCYPQ-OLKPEBQYSA-N	0	2	331.328	2.319	40	5		EEBBLN
COc1ccc([C@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095533756	463106771	/nfs/dbraw/zinc/10/67/71/463106771.db2.gz	LEDLQEVUTYIGLY-AWEZNQCLSA-N	0	2	341.327	2.142	40	5		EEBBLN
O=C(COc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000035269597	213017253	/nfs/dbraw/zinc/01/72/53/213017253.db2.gz	GHTCKJZQHVBCRA-UHFFFAOYSA-N	0	2	347.352	2.192	40	5		EEBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2c(O)ccc3ccccc23)[nH]1	ZINC000016855524	462991643	/nfs/dbraw/zinc/99/16/43/462991643.db2.gz	BGMPGFDDSDQTFD-VOTSOKGWSA-N	0	2	325.280	2.413	40	5		EEBBLN
O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000074829673	202372944	/nfs/dbraw/zinc/37/29/44/202372944.db2.gz	CWWLELCLNNJFRU-QWHCGFSZSA-N	0	2	330.344	2.411	40	5		EEBBLN
CSc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1	ZINC000225765556	242024941	/nfs/dbraw/zinc/02/49/41/242024941.db2.gz	OMZWZUGSEGFYDJ-UHFFFAOYSA-N	0	2	346.415	2.277	40	5		EEBBLN
Cc1cccc(C(=O)Nn2c(C)nc3sccc3c2=O)c1[N+](=O)[O-]	ZINC000057635470	463505062	/nfs/dbraw/zinc/50/50/62/463505062.db2.gz	AENNJITYPFHPME-UHFFFAOYSA-N	0	2	344.352	2.367	40	5		EEBBLN
CCCCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000005309438	462654773	/nfs/dbraw/zinc/65/47/73/462654773.db2.gz	MJEXBQOLGFZVRW-RMKNXTFCSA-N	0	2	331.328	2.321	40	5		EEBBLN
COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)c1	ZINC000095533615	463107431	/nfs/dbraw/zinc/10/74/31/463107431.db2.gz	WXSZQHBUJDXHLY-CQSZACIVSA-N	0	2	341.327	2.142	40	5		EEBBLN
COCCCN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	ZINC000409239991	466686594	/nfs/dbraw/zinc/68/65/94/466686594.db2.gz	NUZMZMKZNRIPRG-XYOKQWHBSA-N	0	2	338.341	2.373	40	5		EEBBLN
Cc1cc(C)n(-c2ccc(-c3noc([C@H]4C[C@@H]4[N+](=O)[O-])n3)cn2)n1	ZINC000078774653	463148536	/nfs/dbraw/zinc/14/85/36/463148536.db2.gz	RUOBFMPUOJNROO-RYUDHWBXSA-N	0	2	326.316	2.067	40	5		EEBBLN
Cn1ccnc1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1	ZINC000097373283	463355752	/nfs/dbraw/zinc/35/57/52/463355752.db2.gz	IJHWWEBNIJQJSM-LBPRGKRZSA-N	0	2	344.371	2.129	40	5		EEBBLN
O=C1[C@@H]2Sc3ccccc3N[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102938083	463393594	/nfs/dbraw/zinc/39/35/94/463393594.db2.gz	YLNRKQNNHZDAES-ZIAGYGMSSA-N	0	2	341.348	2.423	40	5		EEBBLN
O=C1N/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1Cc1ccccc1	ZINC000409244537	466686551	/nfs/dbraw/zinc/68/65/51/466686551.db2.gz	FDEXSIHGZYWYBD-UKTHLTGXSA-N	0	2	339.307	2.393	40	5		EEBBLN
O=C([O-])c1ccc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013091037	207285199	/nfs/dbraw/zinc/28/51/99/207285199.db2.gz	CYLMXOSGXDBVKS-UHFFFAOYSA-N	0	2	328.328	2.015	40	5		EEBBLN
[NH3+][C@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(F)cc1	ZINC000095533348	463106856	/nfs/dbraw/zinc/10/68/56/463106856.db2.gz	LFMMPADDMBRLKO-ZDUSSCGKSA-N	0	2	329.291	2.273	40	5		EEBBLN
O=C([O-])c1cc([N+](=O)[O-])ccc1N1CCN(c2cccc[nH+]2)CC1	ZINC000324112373	466643138	/nfs/dbraw/zinc/64/31/38/466643138.db2.gz	FDJLYFBEHYURIQ-UHFFFAOYSA-N	0	2	328.328	2.015	40	5		EEBBLN
CCSc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000041017580	463465545	/nfs/dbraw/zinc/46/55/45/463465545.db2.gz	JEPAOBBOYLXKQW-UHFFFAOYSA-N	0	2	346.415	2.359	40	5		EEBBLN
CC(C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1	ZINC000162861210	463544617	/nfs/dbraw/zinc/54/46/17/463544617.db2.gz	CWDUTKYHUAUCIG-UHFFFAOYSA-N	0	2	331.328	2.413	40	5		EEBBLN
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1CC(F)(F)F	ZINC000195567716	241015582	/nfs/dbraw/zinc/01/55/82/241015582.db2.gz	IDBWGGJSIWRXNL-VIFPVBQESA-N	0	2	347.293	2.009	40	5		EEBBLN
COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)c1ccc(N(C)C)cc1O	ZINC000002387161	462592353	/nfs/dbraw/zinc/59/23/53/462592353.db2.gz	WUPOAAZRMLZXEJ-UHFFFAOYSA-N	0	2	344.323	2.384	40	5		EEBBLN
CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(OCC)c1	ZINC000032690730	463387876	/nfs/dbraw/zinc/38/78/76/463387876.db2.gz	XYDRPNHGBDJQIC-VURMDHGXSA-N	0	2	347.327	2.352	40	5		EEBBLN
O=[N+]([O-])c1ccc(C2=C[S@](=O)N(c3ccc([N+](=O)[O-])cc3)N2)cc1	ZINC000256055589	463754926	/nfs/dbraw/zinc/75/49/26/463754926.db2.gz	MJDRFYMSYZEMCF-DEOSSOPVSA-N	0	2	346.324	2.391	40	5		EEBBLN
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccncc1[N+](=O)[O-]	ZINC000016401234	462977851	/nfs/dbraw/zinc/97/78/51/462977851.db2.gz	WLMYPSAGMOFSJA-UHFFFAOYSA-N	0	2	327.256	2.039	40	5		EEBBLN
CCSc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1	ZINC000041017642	463465731	/nfs/dbraw/zinc/46/57/31/463465731.db2.gz	FXNLYMCETSDWLN-UHFFFAOYSA-N	0	2	346.415	2.359	40	5		EEBBLN
O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2c[nH]nc2c1	ZINC000078969265	217159916	/nfs/dbraw/zinc/15/99/16/217159916.db2.gz	JINHGQJRIFAOBC-UHFFFAOYSA-N	0	2	336.304	2.411	40	5		EEBBLN
Cc1cc(C)n(-c2ccc(-c3noc([C@H]4C[C@H]4[N+](=O)[O-])n3)cn2)n1	ZINC000078774658	217118917	/nfs/dbraw/zinc/11/89/17/217118917.db2.gz	RUOBFMPUOJNROO-NWDGAFQWSA-N	0	2	326.316	2.067	40	5		EEBBLN
O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1Cc1ccccc1	ZINC000409236891	466687097	/nfs/dbraw/zinc/68/70/97/466687097.db2.gz	GQZNNPYVHKBHDW-NTEUORMPSA-N	0	2	339.307	2.393	40	5		EEBBLN
CCCc1nn2c(nc(C)c(Cc3ccc([N+](=O)[O-])cc3)c2=O)[nH]1	ZINC000104016583	528757416	/nfs/dbraw/zinc/75/74/16/528757416.db2.gz	KMLQFKCOJAOIDU-UHFFFAOYSA-N	0	2	327.344	2.178	40	5		EEBBLN
Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095534183	463106665	/nfs/dbraw/zinc/10/66/65/463106665.db2.gz	DPMLYKNKGRVAFR-CQSZACIVSA-N	0	2	325.328	2.442	40	5		EEBBLN
Cc1n[nH]c(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)c1C	ZINC000191904201	534848944	/nfs/dbraw/zinc/84/89/44/534848944.db2.gz	ODUKYHXWARPWFW-UHFFFAOYSA-N	0	2	328.325	2.183	40	5		EEBBLN
O=C1[C@@H]2Nc3ccccc3S[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000001624749	462585321	/nfs/dbraw/zinc/58/53/21/462585321.db2.gz	YLNRKQNNHZDAES-KGLIPLIRSA-N	0	2	341.348	2.423	40	5		EEBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2C(F)(F)F)[nH]1	ZINC000006322784	462681742	/nfs/dbraw/zinc/68/17/42/462681742.db2.gz	QBNAZRHCNUYBHJ-AATRIKPKSA-N	0	2	327.218	2.161	40	5		EEBBLN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000078876053	217136858	/nfs/dbraw/zinc/13/68/58/217136858.db2.gz	PJSZRZBRJCGPIT-DTWKUNHWSA-N	0	2	340.357	2.040	40	5		EEBBLN
Cn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC000097097424	303065481	/nfs/dbraw/zinc/06/54/81/303065481.db2.gz	ITDXMKYXKHLBMQ-UHFFFAOYSA-N	0	2	330.344	2.054	40	5		EEBBLN
O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000408964353	466684693	/nfs/dbraw/zinc/68/46/93/466684693.db2.gz	QYNRAYDOYXRQOL-JYRVWZFOSA-N	0	2	339.307	2.393	40	5		EEBBLN
Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095534182	463107249	/nfs/dbraw/zinc/10/72/49/463107249.db2.gz	DPMLYKNKGRVAFR-AWEZNQCLSA-N	0	2	325.328	2.442	40	5		EEBBLN
COc1ccc(-c2nc(Cc3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)co2)cc1	ZINC000078773967	463147812	/nfs/dbraw/zinc/14/78/12/463147812.db2.gz	HFTRTKPQKPGEEC-CHWSQXEVSA-N	0	2	342.311	2.457	40	5		EEBBLN
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1CC(F)(F)F	ZINC000195567714	241015163	/nfs/dbraw/zinc/01/51/63/241015163.db2.gz	IDBWGGJSIWRXNL-SECBINFHSA-N	0	2	347.293	2.009	40	5		EEBBLN
COc1cccc([C@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)c1	ZINC000095533614	463107205	/nfs/dbraw/zinc/10/72/05/463107205.db2.gz	WXSZQHBUJDXHLY-AWEZNQCLSA-N	0	2	341.327	2.142	40	5		EEBBLN
COc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000037089033	463441497	/nfs/dbraw/zinc/44/14/97/463441497.db2.gz	OHOJWMOOECNFAS-UHFFFAOYSA-N	0	2	347.352	2.436	40	5		EEBBLN
Cc1cc(C)n(-c2ccc(-c3noc([C@@H]4C[C@H]4[N+](=O)[O-])n3)cn2)n1	ZINC000078774655	202399511	/nfs/dbraw/zinc/39/95/11/202399511.db2.gz	RUOBFMPUOJNROO-VXGBXAGGSA-N	0	2	326.316	2.067	40	5		EEBBLN
O=c1nc2n(-c3ccccc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1	ZINC000005615140	462665183	/nfs/dbraw/zinc/66/51/83/462665183.db2.gz	NZUQPNZMGOEOBD-UHFFFAOYSA-N	0	2	334.291	2.087	40	5		EEBBLN
CCc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1	ZINC000134205724	463015668	/nfs/dbraw/zinc/01/56/68/463015668.db2.gz	SMFIXYMQMMWFEL-UHFFFAOYSA-N	0	2	343.339	2.231	40	5		EEBBLN
O=C(Cc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000036569440	463437679	/nfs/dbraw/zinc/43/76/79/463437679.db2.gz	IFYORZKXHGIDAN-UHFFFAOYSA-N	0	2	331.353	2.356	40	5		EEBBLN
CCCN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O	ZINC000409250733	466686622	/nfs/dbraw/zinc/68/66/22/466686622.db2.gz	XZEISEHCGOMVPF-WEVVVXLNSA-N	0	2	325.708	2.257	40	5		EEBBLN
[NH3+][C@@H](c1nnc(-c2ccc([O-])c([N+](=O)[O-])c2)[nH]1)c1ccc(F)cc1	ZINC000095533349	463106887	/nfs/dbraw/zinc/10/68/87/463106887.db2.gz	LFMMPADDMBRLKO-CYBMUJFWSA-N	0	2	329.291	2.273	40	5		EEBBLN
O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000074829675	303953209	/nfs/dbraw/zinc/95/32/09/303953209.db2.gz	CWWLELCLNNJFRU-STQMWFEESA-N	0	2	330.344	2.411	40	5		EEBBLN
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036231191	213076953	/nfs/dbraw/zinc/07/69/53/213076953.db2.gz	DEADWIAHWIVVGM-AWEZNQCLSA-N	0	2	349.343	2.272	40	5		EEBBLN
CN1C[C@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408567700	466680868	/nfs/dbraw/zinc/68/08/68/466680868.db2.gz	QYYWYOLSMLAVAH-RPVQJOFSSA-N	0	2	341.342	2.348	40	5		EEBBLN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000078876049	217136560	/nfs/dbraw/zinc/13/65/60/217136560.db2.gz	PJSZRZBRJCGPIT-RKDXNWHRSA-N	0	2	340.357	2.040	40	5		EEBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(Br)c2)[nH]1	ZINC000033399337	463420465	/nfs/dbraw/zinc/42/04/65/463420465.db2.gz	VJIPHIZKZCBWIF-PLNGDYQASA-N	0	2	338.117	2.317	40	5		EEBBLN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000078876047	217136337	/nfs/dbraw/zinc/13/63/37/217136337.db2.gz	PJSZRZBRJCGPIT-IUCAKERBSA-N	0	2	340.357	2.040	40	5		EEBBLN
COc1ccc(-c2nc(Cc3noc([C@H]4C[C@H]4[N+](=O)[O-])n3)co2)cc1	ZINC000078773972	217118740	/nfs/dbraw/zinc/11/87/40/217118740.db2.gz	HFTRTKPQKPGEEC-QWHCGFSZSA-N	0	2	342.311	2.457	40	5		EEBBLN
O=c1/c(=C/c2cc([N+](=O)[O-])ccc2O)sc2nc3ccccc3n12	ZINC000002067700	462588692	/nfs/dbraw/zinc/58/86/92/462588692.db2.gz	RRRSTULBBZSQQS-ZSOIEALJSA-N	0	2	339.332	2.071	40	5		EEBBLN
O=C1NC(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1	ZINC000409018346	466684553	/nfs/dbraw/zinc/68/45/53/466684553.db2.gz	WNQBUVPOKDHFNN-UKTHLTGXSA-N	0	2	325.280	2.398	40	5		EEBBLN
CCSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000013952395	462906168	/nfs/dbraw/zinc/90/61/68/462906168.db2.gz	OHEBYFRQZKTGNB-UHFFFAOYSA-N	0	2	346.415	2.359	40	5		EEBBLN
Cc1noc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C	ZINC000096494513	463288626	/nfs/dbraw/zinc/28/86/26/463288626.db2.gz	UYUINFWYWXEFNI-UHFFFAOYSA-N	0	2	325.346	2.184	40	5		EEBBLN
O=C(O)Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000005514163	210479072	/nfs/dbraw/zinc/47/90/72/210479072.db2.gz	DOGIPDIHZJBCKK-UHFFFAOYSA-N	0	2	328.236	2.452	40	5		EEBBLN
COc1ccc(-c2nc(Cc3noc([C@H]4C[C@@H]4[N+](=O)[O-])n3)co2)cc1	ZINC000078773964	463147983	/nfs/dbraw/zinc/14/79/83/463147983.db2.gz	HFTRTKPQKPGEEC-STQMWFEESA-N	0	2	342.311	2.457	40	5		EEBBLN
COC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000010112232	211148548	/nfs/dbraw/zinc/14/85/48/211148548.db2.gz	DUXDFEBJJQWVIS-UHFFFAOYSA-N	0	2	336.325	2.182	40	5		EEBBLN
O=C1[C@H]2Nc3ccccc3S[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102938088	285011134	/nfs/dbraw/zinc/01/11/34/285011134.db2.gz	YLNRKQNNHZDAES-KBPBESRZSA-N	0	2	341.348	2.423	40	5		EEBBLN
O=C1[C@H]2Nc3ccccc3S[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102938085	285011552	/nfs/dbraw/zinc/01/15/52/285011552.db2.gz	YLNRKQNNHZDAES-UONOGXRCSA-N	0	2	341.348	2.423	40	5		EEBBLN
CN1C[C@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	ZINC000408567695	466681097	/nfs/dbraw/zinc/68/10/97/466681097.db2.gz	QYYWYOLSMLAVAH-QBIMZIAESA-N	0	2	341.342	2.348	40	5		EEBBLN
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2ncccc21	ZINC000390835644	467414733	/nfs/dbraw/zinc/41/47/33/467414733.db2.gz	TYZHOSHEFOVTMJ-UHFFFAOYSA-N	0	2	348.340	2.281	40	5		EEBBLN
CC[C@H](C)Oc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000006356019	462684541	/nfs/dbraw/zinc/68/45/41/462684541.db2.gz	IUKJMYKEYFCYPQ-ZKXNXJMVSA-N	0	2	331.328	2.319	40	5		EEBBLN
COc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O	ZINC000014257533	462923037	/nfs/dbraw/zinc/92/30/37/462923037.db2.gz	GWBIELCIFQLWRH-UHFFFAOYSA-N	0	2	347.352	2.436	40	5		EEBBLN
Cc1ccccc1-n1c2ccc([N+](=O)[O-])cc2cc2c(=O)[nH]c(=O)nc1-2	ZINC000059497766	302074564	/nfs/dbraw/zinc/07/45/64/302074564.db2.gz	PSFJPPJGDKFPSL-UHFFFAOYSA-N	0	2	348.318	2.395	40	5		EEBBLN
COCCCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O	ZINC000409242730	257873388	/nfs/dbraw/zinc/87/33/88/257873388.db2.gz	SSUXAYXJYGMYCS-DHZHZOJOSA-N	0	2	338.341	2.373	40	5		EEBBLN
CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1CC(F)F	ZINC000195567768	241014281	/nfs/dbraw/zinc/01/42/81/241014281.db2.gz	NJBBHUWZZSYSMG-JTQLQIEISA-N	0	2	343.330	2.102	40	5		EEBBLN
O=C1NC(=Cc2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1	ZINC000409020706	466684643	/nfs/dbraw/zinc/68/46/43/466684643.db2.gz	SGLXQAUIJAMJGZ-FMIVXFBMSA-N	0	2	325.280	2.398	40	5		EEBBLN
CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1CC(F)F	ZINC000195567765	535841269	/nfs/dbraw/zinc/84/12/69/535841269.db2.gz	NJBBHUWZZSYSMG-SNVBAGLBSA-N	0	2	343.330	2.102	40	5		EEBBLN
CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	ZINC000036231189	213076572	/nfs/dbraw/zinc/07/65/72/213076572.db2.gz	DEADWIAHWIVVGM-CQSZACIVSA-N	0	2	349.343	2.272	40	5		EEBBLN
COc1ccc(-c2nc(Cc3noc([C@@H]4C[C@@H]4[N+](=O)[O-])n3)co2)cc1	ZINC000078773961	217117623	/nfs/dbraw/zinc/11/76/23/217117623.db2.gz	HFTRTKPQKPGEEC-OLZOCXBDSA-N	0	2	342.311	2.457	40	5		EEBBLN
Cc1cc(C)n(-c2ccc(-c3noc([C@@H]4C[C@@H]4[N+](=O)[O-])n3)cn2)n1	ZINC000078774650	217118748	/nfs/dbraw/zinc/11/87/48/217118748.db2.gz	RUOBFMPUOJNROO-NEPJUHHUSA-N	0	2	326.316	2.067	40	5		EEBBLN
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1	ZINC000055547888	214328643	/nfs/dbraw/zinc/32/86/43/214328643.db2.gz	HCHNWHXHCRNESO-UHFFFAOYSA-N	0	2	338.341	2.413	40	5		EEBBLN
CCn1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21	ZINC000006354251	462683482	/nfs/dbraw/zinc/68/34/82/462683482.db2.gz	XYHZNYAAAPHRJW-BQYQJAHWSA-N	0	2	326.312	2.116	40	5		EEBBLN
COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]2)cc1	ZINC000095533757	463106528	/nfs/dbraw/zinc/10/65/28/463106528.db2.gz	LEDLQEVUTYIGLY-CQSZACIVSA-N	0	2	341.327	2.142	40	5		EEBBLN
CSc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	ZINC000223306091	464140828	/nfs/dbraw/zinc/14/08/28/464140828.db2.gz	ITEXUQAWGSKWTO-UHFFFAOYSA-N	0	2	346.415	2.277	40	5		EEBBLN
CN1C[C@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	ZINC000408567689	466681258	/nfs/dbraw/zinc/68/12/58/466681258.db2.gz	QYYWYOLSMLAVAH-MZMPZRCHSA-N	0	2	341.342	2.348	40	5		EEBBLN
COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000409231161	466686386	/nfs/dbraw/zinc/68/63/86/466686386.db2.gz	HZPXXBJIYVNGNI-XYOKQWHBSA-N	0	2	338.341	2.373	40	5		EEBBLN
CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000078876043	217136101	/nfs/dbraw/zinc/13/61/01/217136101.db2.gz	PJSZRZBRJCGPIT-BDAKNGLRSA-N	0	2	340.357	2.040	40	5		EEBBLN