smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccncc1	ZINC000613980808	362257217	/nfs/dbraw/zinc/25/72/17/362257217.db2.gz	SOIHNFDVEHQTOP-SNVBAGLBSA-N	0	2	301.302	2.229	10	5		DEBELN
COCc1nc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1	ZINC000166177033	402481946	/nfs/dbraw/zinc/48/19/46/402481946.db2.gz	UAOPIVSFMOLWJK-UHFFFAOYSA-N	0	2	323.330	2.464	10	5		DEBELN
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000088302435	185245054	/nfs/dbraw/zinc/24/50/54/185245054.db2.gz	NNXCTUOVNWEKNK-VHSXEESVSA-N	0	2	315.395	2.280	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000066253147	354706681	/nfs/dbraw/zinc/70/66/81/354706681.db2.gz	RWRUXJDPTBCHRN-UHFFFAOYSA-N	0	2	310.335	2.002	10	5		DEBELN
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnoc2)c1	ZINC000061685485	184182149	/nfs/dbraw/zinc/18/21/49/184182149.db2.gz	FRVLPWRVTNNMHN-UHFFFAOYSA-N	0	2	303.683	2.037	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H]2CCCC[C@H]21	ZINC000066921052	402146281	/nfs/dbraw/zinc/14/62/81/402146281.db2.gz	FAWGDYRHRYTTHP-TZMCWYRMSA-N	0	2	306.318	2.084	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1n[nH]c2c1CCCC2	ZINC000183895101	402803469	/nfs/dbraw/zinc/80/34/69/402803469.db2.gz	URKZBGDKXPEACZ-UHFFFAOYSA-N	0	2	302.290	2.155	10	5		DEBELN
COc1cnccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000189550638	533149131	/nfs/dbraw/zinc/14/91/31/533149131.db2.gz	JIWZPOZBSJNOCL-VIFPVBQESA-N	0	2	317.301	2.195	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1Cc2ccccc2O1	ZINC000183902171	144936933	/nfs/dbraw/zinc/93/69/33/144936933.db2.gz	UDKOIJCPNBIPPG-CQSZACIVSA-N	0	2	300.270	2.243	10	5		DEBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@]2(CCCOC2)C1	ZINC000408069201	405103983	/nfs/dbraw/zinc/10/39/83/405103983.db2.gz	ATJDLGRYZWRXRL-INIZCTEOSA-N	0	2	320.345	2.333	10	5		DEBELN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(O)cc(F)c1	ZINC000131384978	196164227	/nfs/dbraw/zinc/16/42/27/196164227.db2.gz	HCNTZWPHSYJHHL-UHFFFAOYSA-N	0	2	312.278	2.240	10	5		DEBELN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn[nH]c1	ZINC000133764550	196334508	/nfs/dbraw/zinc/33/45/08/196334508.db2.gz	LDMRPBNHKAPJMU-UHFFFAOYSA-N	0	2	316.726	2.081	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000182015519	304503910	/nfs/dbraw/zinc/50/39/10/304503910.db2.gz	YWPCEOXXWNEZPM-ZDUSSCGKSA-N	0	2	316.317	2.391	10	5		DEBELN
CC(C)c1nnc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1	ZINC000182089701	199385674	/nfs/dbraw/zinc/38/56/74/199385674.db2.gz	MJKBPFFJIUSVTA-UHFFFAOYSA-N	0	2	320.305	2.378	10	5		DEBELN
CC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1O	ZINC000552287490	406701508	/nfs/dbraw/zinc/70/15/08/406701508.db2.gz	UBJQHTHEOOMDRV-UHFFFAOYSA-N	0	2	316.269	2.461	10	5		DEBELN
COc1ccccc1Oc1ncnc(NN(C)C)c1[N+](=O)[O-]	ZINC000040629038	183110847	/nfs/dbraw/zinc/11/08/47/183110847.db2.gz	XKKPAIBSNNPIPI-UHFFFAOYSA-N	0	2	305.294	2.074	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)nc1	ZINC000121332690	402028901	/nfs/dbraw/zinc/02/89/01/402028901.db2.gz	RAWBWVRLUQYZON-UHFFFAOYSA-N	0	2	323.330	2.108	10	5		DEBELN
Cc1ccc2c(n1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000186136266	402404383	/nfs/dbraw/zinc/40/43/83/402404383.db2.gz	BOBPKUQPIPBGNL-UHFFFAOYSA-N	0	2	315.285	2.043	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1Cc2cc(F)ccc2O1	ZINC000166139835	402481768	/nfs/dbraw/zinc/48/17/68/402481768.db2.gz	GRYPBXKZRCCKTB-AWEZNQCLSA-N	0	2	318.260	2.382	10	5		DEBELN
O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCOc2ccccc21	ZINC000035856788	267365853	/nfs/dbraw/zinc/36/58/53/267365853.db2.gz	OKDVFGHMABVPKO-UHFFFAOYSA-N	0	2	300.270	2.340	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000184671364	304533935	/nfs/dbraw/zinc/53/39/35/304533935.db2.gz	MIGXQNKPSLZIRT-JSGCOSHPSA-N	0	2	306.318	2.084	10	5		DEBELN
Cc1cc(C)n([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	ZINC000089531368	401951279	/nfs/dbraw/zinc/95/12/79/401951279.db2.gz	HFZUBCULDXEJBS-JTQLQIEISA-N	0	2	304.306	2.313	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000182124381	402667604	/nfs/dbraw/zinc/66/76/04/402667604.db2.gz	JRYMLLPCWKMQCQ-BDJLRTHQSA-N	0	2	320.345	2.068	10	5		DEBELN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2O)n1	ZINC000191876825	529154565	/nfs/dbraw/zinc/15/45/65/529154565.db2.gz	YDTJSEZYINACQD-UHFFFAOYSA-N	0	2	310.697	2.423	10	5		DEBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOC[C@@H](C2CCC2)C1	ZINC000574354020	326146860	/nfs/dbraw/zinc/14/68/60/326146860.db2.gz	KYEJOZPRKBZTDO-LBPRGKRZSA-N	0	2	320.345	2.189	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc2C1	ZINC000186022455	144973375	/nfs/dbraw/zinc/97/33/75/144973375.db2.gz	BHIAOCDVNVPRQH-LLVKDONJSA-N	0	2	314.297	2.490	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1	ZINC000126501319	401697614	/nfs/dbraw/zinc/69/76/14/401697614.db2.gz	QPSUNKBJJLSGIC-UHFFFAOYSA-N	0	2	324.362	2.380	10	5		DEBELN
O=C(NCc1ccccc1OC1CCC1)c1[nH]ncc1[N+](=O)[O-]	ZINC000161732299	402397324	/nfs/dbraw/zinc/39/73/24/402397324.db2.gz	NYYQWGPPCFLHLK-UHFFFAOYSA-N	0	2	316.317	2.179	10	5		DEBELN
O=C(NCc1ccccc1OC1CCC1)c1n[nH]cc1[N+](=O)[O-]	ZINC000161732299	402397326	/nfs/dbraw/zinc/39/73/26/402397326.db2.gz	NYYQWGPPCFLHLK-UHFFFAOYSA-N	0	2	316.317	2.179	10	5		DEBELN
O=C(NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1O	ZINC000186137833	402404298	/nfs/dbraw/zinc/40/42/98/402404298.db2.gz	VCYROPJLMIHZEC-UHFFFAOYSA-N	0	2	307.693	2.279	10	5		DEBELN
COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1CO	ZINC000437003361	405178700	/nfs/dbraw/zinc/17/87/00/405178700.db2.gz	SVEHIHWHJKQUPT-UHFFFAOYSA-N	0	2	318.285	2.054	10	5		DEBELN
Nc1c(C(=O)[O-])c[nH+]c2c(Br)cc([N+](=O)[O-])cc12	ZINC000072237342	191080694	/nfs/dbraw/zinc/08/06/94/191080694.db2.gz	SODBCBLIPBXHDO-UHFFFAOYSA-N	0	2	312.079	2.186	10	5		DEBELN
O=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1-n1ccnc1	ZINC000040647221	183114416	/nfs/dbraw/zinc/11/44/16/183114416.db2.gz	KQMLJLMXVWXHFB-UHFFFAOYSA-N	0	2	317.696	2.363	10	5		DEBELN
CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cs1	ZINC000157849148	402299355	/nfs/dbraw/zinc/29/93/55/402299355.db2.gz	UOIGXTJABSLAAG-UHFFFAOYSA-N	0	2	307.331	2.249	10	5		DEBELN
O=C(NCc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1O	ZINC000182184557	402670068	/nfs/dbraw/zinc/67/00/68/402670068.db2.gz	RMJCRAIZVXWNJM-UHFFFAOYSA-N	0	2	307.693	2.279	10	5		DEBELN
C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCCC1	ZINC000436888518	405157652	/nfs/dbraw/zinc/15/76/52/405157652.db2.gz	SWWYIUXGGVRQRQ-INIZCTEOSA-N	0	2	322.361	2.362	10	5		DEBELN
Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131251013	196154653	/nfs/dbraw/zinc/15/46/53/196154653.db2.gz	VWWIYJJWEPYDPI-UHFFFAOYSA-N	0	2	311.294	2.238	10	5		DEBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@H](C2CCC2)C1	ZINC000293638091	304550070	/nfs/dbraw/zinc/55/00/70/304550070.db2.gz	FWUHNABIJXXPQZ-GFCCVEGCSA-N	0	2	320.345	2.189	10	5		DEBELN
O=C(COc1ccccc1F)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183916974	356181863	/nfs/dbraw/zinc/18/18/63/356181863.db2.gz	YGCYMAKQJWTSIJ-UHFFFAOYSA-N	0	2	306.249	2.457	10	5		DEBELN
C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000188630614	200278298	/nfs/dbraw/zinc/27/82/98/200278298.db2.gz	HCDQVQNDCJABQS-SECBINFHSA-N	0	2	323.349	2.180	10	5		DEBELN
CC(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1	ZINC000557017852	405569301	/nfs/dbraw/zinc/56/93/01/405569301.db2.gz	YGMSCMLJICOJFN-UHFFFAOYSA-N	0	2	314.297	2.433	10	5		DEBELN
COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000188683208	225030571	/nfs/dbraw/zinc/03/05/71/225030571.db2.gz	RDNWWYMOILWHLI-UHFFFAOYSA-N	0	2	320.276	2.378	10	5		DEBELN
CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183901242	186229189	/nfs/dbraw/zinc/22/91/89/186229189.db2.gz	HFQCOQMIEJDKBX-LLVKDONJSA-N	0	2	321.333	2.030	10	5		DEBELN
CC(C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n(C)n1	ZINC000183896457	356181933	/nfs/dbraw/zinc/18/19/33/356181933.db2.gz	SXUVALPBNMJJDY-UHFFFAOYSA-N	0	2	304.306	2.410	10	5		DEBELN
Nc1ccc(F)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000063202560	184278418	/nfs/dbraw/zinc/27/84/18/184278418.db2.gz	PXSCVTBXUHFHMN-UHFFFAOYSA-N	0	2	311.294	2.117	10	5		DEBELN
CCc1cnc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)s1	ZINC000179523220	402593647	/nfs/dbraw/zinc/59/36/47/402593647.db2.gz	WMZJHVIRTRHUFU-UHFFFAOYSA-N	0	2	321.358	2.292	10	5		DEBELN
CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1	ZINC000436883408	405157817	/nfs/dbraw/zinc/15/78/17/405157817.db2.gz	FNRVMRNDGYNCKH-UHFFFAOYSA-N	0	2	302.290	2.014	10	5		DEBELN
CCOC(=O)Cc1cc([N+](=O)[O-])c(Br)cc1O	ZINC000575700637	406820710	/nfs/dbraw/zinc/82/07/10/406820710.db2.gz	WKOHFQVGKGJMEP-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)Br	ZINC000142799179	355895852	/nfs/dbraw/zinc/89/58/52/355895852.db2.gz	ARKAADBCQFVLSB-UHFFFAOYSA-N	0	2	311.038	2.227	10	5		DEBELN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	ZINC000610528434	361417057	/nfs/dbraw/zinc/41/70/57/361417057.db2.gz	FEZQKCRFLUJVKP-SNVBAGLBSA-N	0	2	301.302	2.229	10	5		DEBELN
CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000153861964	402175439	/nfs/dbraw/zinc/17/54/39/402175439.db2.gz	QRLTXBWQCNOVPP-UHFFFAOYSA-N	0	2	321.358	2.462	10	5		DEBELN
CCO[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C	ZINC000456133213	286215569	/nfs/dbraw/zinc/21/55/69/286215569.db2.gz	GDPNKYGVUJWJAA-ZWNOBZJWSA-N	0	2	308.334	2.188	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1Cc2cc(F)ccc2O1	ZINC000166139946	402482040	/nfs/dbraw/zinc/48/20/40/402482040.db2.gz	GRYPBXKZRCCKTB-CQSZACIVSA-N	0	2	318.260	2.382	10	5		DEBELN
C[C@]12CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@H]1C2(F)F	ZINC000294682488	403724763	/nfs/dbraw/zinc/72/47/63/403724763.db2.gz	MCNIIIFCZBMERF-MFKMUULPSA-N	0	2	312.272	2.418	10	5		DEBELN
O=C(NC1(CCO)CCCCC1)c1cc([N+](=O)[O-])ccc1O	ZINC000436800062	405140406	/nfs/dbraw/zinc/14/04/06/405140406.db2.gz	SQEIQYBHQFRVAI-UHFFFAOYSA-N	0	2	308.334	2.116	10	5		DEBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)s1	ZINC000098129804	402138062	/nfs/dbraw/zinc/13/80/62/402138062.db2.gz	FPACOBZMIXFDSL-UHFFFAOYSA-N	0	2	324.343	2.333	10	5		DEBELN
Cn1cc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1	ZINC000184750268	402297285	/nfs/dbraw/zinc/29/72/85/402297285.db2.gz	NUZXKBFHOKCZCF-CYBMUJFWSA-N	0	2	316.317	2.011	10	5		DEBELN
O=C(NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000359414938	147324471	/nfs/dbraw/zinc/32/44/71/147324471.db2.gz	IFNGROKFGBTSNZ-UHFFFAOYSA-N	0	2	312.285	2.107	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H]2CCCC[C@H]21	ZINC000066921051	402146442	/nfs/dbraw/zinc/14/64/42/402146442.db2.gz	FAWGDYRHRYTTHP-OCCSQVGLSA-N	0	2	306.318	2.084	10	5		DEBELN
CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000154077696	402191332	/nfs/dbraw/zinc/19/13/32/402191332.db2.gz	BVJCVUHXJCHIBK-UHFFFAOYSA-N	0	2	318.333	2.083	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@]2(CCCOC2)C1	ZINC000408416160	405202015	/nfs/dbraw/zinc/20/20/15/405202015.db2.gz	RWYBEVPGNULPDY-MRXNPFEDSA-N	0	2	320.345	2.333	10	5		DEBELN
COc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1	ZINC000189935187	295050182	/nfs/dbraw/zinc/05/01/82/295050182.db2.gz	UJLDFRJLTWOOSF-UHFFFAOYSA-N	0	2	314.257	2.421	10	5		DEBELN
Cc1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1O	ZINC000166076434	402481148	/nfs/dbraw/zinc/48/11/48/402481148.db2.gz	IRIATCUETPOCLY-UHFFFAOYSA-N	0	2	302.286	2.496	10	5		DEBELN
CC(C)CCn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1	ZINC000166157325	402481690	/nfs/dbraw/zinc/48/16/90/402481690.db2.gz	RUANODTYUCKLRL-UHFFFAOYSA-N	0	2	319.321	2.190	10	5		DEBELN
Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131222986	196151473	/nfs/dbraw/zinc/15/14/73/196151473.db2.gz	LKAGADSJQHFLOB-UHFFFAOYSA-N	0	2	311.294	2.238	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2cc[nH]n2)CC1	ZINC000131944020	196212434	/nfs/dbraw/zinc/21/24/34/196212434.db2.gz	AORIJFRZCMIAFT-UHFFFAOYSA-N	0	2	316.317	2.043	10	5		DEBELN
COc1ccccc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183908487	356182010	/nfs/dbraw/zinc/18/20/10/356182010.db2.gz	MHGSGEDNRVAPER-UHFFFAOYSA-N	0	2	302.286	2.490	10	5		DEBELN
CC(C)Cn1ccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000159406360	402322618	/nfs/dbraw/zinc/32/26/18/402322618.db2.gz	PAUUDHZFVYRCKI-UHFFFAOYSA-N	0	2	318.333	2.083	10	5		DEBELN
CC(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000187513920	402503331	/nfs/dbraw/zinc/50/33/31/402503331.db2.gz	WPMYQHNBZMOMQW-HNNXBMFYSA-N	0	2	310.350	2.217	10	5		DEBELN
O=C(NCCCc1ccccn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000179071170	402570425	/nfs/dbraw/zinc/57/04/25/402570425.db2.gz	RYOMQEHCEQDVSN-UHFFFAOYSA-N	0	2	301.302	2.058	10	5		DEBELN
COc1ccc(F)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000188676058	225027658	/nfs/dbraw/zinc/02/76/58/225027658.db2.gz	LHYXYATWYMTHNJ-UHFFFAOYSA-N	0	2	320.276	2.378	10	5		DEBELN
COc1cc(CC(=O)c2c(Cl)cccc2[N+](=O)[O-])ncn1	ZINC000138605971	186017628	/nfs/dbraw/zinc/01/76/28/186017628.db2.gz	CUBQLCGQHSVMDO-UHFFFAOYSA-N	0	2	307.693	2.472	10	5		DEBELN
O=C(Nc1cc(F)ccc1[N+](=O)[O-])c1nnc(Cl)s1	ZINC000149041874	186046626	/nfs/dbraw/zinc/04/66/26/186046626.db2.gz	XRRWCXYORBNYME-UHFFFAOYSA-N	0	2	302.674	2.491	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H]2CCCC[C@@H]21	ZINC000179436740	199035693	/nfs/dbraw/zinc/03/56/93/199035693.db2.gz	MHYSSHCVIFGXOX-JSGCOSHPSA-N	0	2	306.318	2.084	10	5		DEBELN
COc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000189550656	533140511	/nfs/dbraw/zinc/14/05/11/533140511.db2.gz	JIWZPOZBSJNOCL-SECBINFHSA-N	0	2	317.301	2.195	10	5		DEBELN
O=C(Nc1ccc2nccnc2c1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000183433028	402766688	/nfs/dbraw/zinc/76/66/88/402766688.db2.gz	ZHECADDTCYXMJS-UHFFFAOYSA-N	0	2	310.269	2.496	10	5		DEBELN
Cn1cc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1	ZINC000171486616	186167475	/nfs/dbraw/zinc/16/74/75/186167475.db2.gz	DDHKIVAWHNLDKN-LBPRGKRZSA-N	0	2	316.317	2.011	10	5		DEBELN
O=C(CN1CCCCCCC1=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000186016119	186231868	/nfs/dbraw/zinc/23/18/68/186231868.db2.gz	RDUCXUNHRJQLIS-UHFFFAOYSA-N	0	2	321.333	2.032	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000066253276	402129480	/nfs/dbraw/zinc/12/94/80/402129480.db2.gz	IZVCRJACDMZTDK-UHFFFAOYSA-N	0	2	324.362	2.311	10	5		DEBELN
CC(=O)c1cnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1	ZINC000160439319	402345285	/nfs/dbraw/zinc/34/52/85/402345285.db2.gz	ROIHVYDVMOVLJX-UHFFFAOYSA-N	0	2	307.287	2.212	10	5		DEBELN
CC(C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1C	ZINC000183919816	402805133	/nfs/dbraw/zinc/80/51/33/402805133.db2.gz	CJIGOJCTPCNLCP-UHFFFAOYSA-N	0	2	304.306	2.410	10	5		DEBELN
CC(C)c1noc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1	ZINC000183901000	186229268	/nfs/dbraw/zinc/22/92/68/186229268.db2.gz	IXXVGQZBYFFYFP-UHFFFAOYSA-N	0	2	320.305	2.378	10	5		DEBELN
NNc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040656862	183115013	/nfs/dbraw/zinc/11/50/13/183115013.db2.gz	FRACDUVOCXJTOW-UHFFFAOYSA-N	0	2	314.330	2.370	10	5		DEBELN
Cc1cnc(CCN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)s1	ZINC000152407064	402094923	/nfs/dbraw/zinc/09/49/23/402094923.db2.gz	WLDGSFQBHKCVOC-UHFFFAOYSA-N	0	2	321.358	2.380	10	5		DEBELN
CCCc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1	ZINC000180818881	402627176	/nfs/dbraw/zinc/62/71/76/402627176.db2.gz	XNIVNEZDKPHKCV-UHFFFAOYSA-N	0	2	324.362	2.212	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000066921050	304530661	/nfs/dbraw/zinc/53/06/61/304530661.db2.gz	FAWGDYRHRYTTHP-GXTWGEPZSA-N	0	2	306.318	2.084	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21	ZINC000183897525	402803612	/nfs/dbraw/zinc/80/36/12/402803612.db2.gz	QRRNVQGFZYEAEX-LLVKDONJSA-N	0	2	300.270	2.415	10	5		DEBELN
CCOC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1O	ZINC000575699228	406820814	/nfs/dbraw/zinc/82/08/14/406820814.db2.gz	FVXYUZRHLHWVMG-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
O=c1[nH]nc(Sc2ccc(Br)cc2[N+](=O)[O-])[nH]1	ZINC000192752204	534879765	/nfs/dbraw/zinc/87/97/65/534879765.db2.gz	IMOCSFMAHQNTAM-UHFFFAOYSA-N	0	2	317.124	2.332	10	5		DEBELN
CC(=O)c1cnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1	ZINC000357050222	534936229	/nfs/dbraw/zinc/93/62/29/534936229.db2.gz	NXZDOYNAVADWAO-UHFFFAOYSA-N	0	2	307.287	2.212	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCc2n[nH]cc21	ZINC000182088596	199385720	/nfs/dbraw/zinc/38/57/20/199385720.db2.gz	HPMNQWSNQPSADX-SECBINFHSA-N	0	2	302.290	2.082	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc2ccccc2n1	ZINC000186018673	402397048	/nfs/dbraw/zinc/39/70/48/402397048.db2.gz	RTMPEHNTDIPQOG-UHFFFAOYSA-N	0	2	310.269	2.496	10	5		DEBELN
CCOC(=O)Cc1cc(O)c([N+](=O)[O-])c(Br)c1	ZINC000575699284	406820524	/nfs/dbraw/zinc/82/05/24/406820524.db2.gz	GUHCKHZRJGUWGF-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1n[nH]c(=O)[nH]1	ZINC000187643871	535022155	/nfs/dbraw/zinc/02/21/55/535022155.db2.gz	PHBINVYWMDBNSZ-UHFFFAOYSA-N	0	2	310.335	2.498	10	5		DEBELN
O=C(COCc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000186013820	402396361	/nfs/dbraw/zinc/39/63/61/402396361.db2.gz	SXGUJKUENYRICJ-UHFFFAOYSA-N	0	2	302.286	2.456	10	5		DEBELN
CCNc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1	ZINC000166143783	402481897	/nfs/dbraw/zinc/48/18/97/402481897.db2.gz	BASKYRPYKNJHQF-UHFFFAOYSA-N	0	2	308.319	2.441	10	5		DEBELN
CCc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cs1	ZINC000179486993	402592303	/nfs/dbraw/zinc/59/23/03/402592303.db2.gz	AEZKLRCXLPTBLF-UHFFFAOYSA-N	0	2	307.331	2.249	10	5		DEBELN
CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183901259	186229151	/nfs/dbraw/zinc/22/91/51/186229151.db2.gz	HFQCOQMIEJDKBX-NSHDSACASA-N	0	2	321.333	2.030	10	5		DEBELN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccncc1	ZINC000610528433	361417296	/nfs/dbraw/zinc/41/72/96/361417296.db2.gz	FEZQKCRFLUJVKP-JTQLQIEISA-N	0	2	301.302	2.229	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000184841079	402303615	/nfs/dbraw/zinc/30/36/15/402303615.db2.gz	VRKPSJHHJSCOON-MEDUHNTESA-N	0	2	320.345	2.068	10	5		DEBELN
CCOc1cccnc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000166094074	402481209	/nfs/dbraw/zinc/48/12/09/402481209.db2.gz	UTCYLRRHRUJFAU-UHFFFAOYSA-N	0	2	303.274	2.346	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000184841059	304534204	/nfs/dbraw/zinc/53/42/04/304534204.db2.gz	VRKPSJHHJSCOON-BZNIZROVSA-N	0	2	320.345	2.068	10	5		DEBELN
CCS(=O)(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000081570677	192293734	/nfs/dbraw/zinc/29/37/34/192293734.db2.gz	NINQXWCJDDJUBK-UHFFFAOYSA-N	0	2	309.141	2.119	10	5		DEBELN
CNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccsc2)c1	ZINC000090868439	192940673	/nfs/dbraw/zinc/94/06/73/192940673.db2.gz	AKXQGKVJRGFUND-UHFFFAOYSA-N	0	2	313.360	2.499	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(=O)[nH]c(C2CC2)c1	ZINC000186028377	402397736	/nfs/dbraw/zinc/39/77/36/402397736.db2.gz	PJLFKHMVUQWOER-UHFFFAOYSA-N	0	2	315.285	2.118	10	5		DEBELN
O=C(NCCOCc1ccccc1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000354515014	403850650	/nfs/dbraw/zinc/85/06/50/403850650.db2.gz	TZKVZJCLJKLUQA-UHFFFAOYSA-N	0	2	316.313	2.247	10	5		DEBELN
O=c1[nH]nc(Sc2ccc([N+](=O)[O-])c(OC(F)F)c2)[nH]1	ZINC000192752247	534882891	/nfs/dbraw/zinc/88/28/91/534882891.db2.gz	PYANNJGJTPFKKL-UHFFFAOYSA-N	0	2	304.234	2.171	10	5		DEBELN
O=C1OC(c2cccnc2)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1	ZINC000255571467	625180223	/nfs/dbraw/zinc/18/02/23/625180223.db2.gz	WQVQHUQKTJWLRX-WDZFZDKYSA-N	0	2	311.253	2.040	10	5		DEBELN
Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183898534	186228838	/nfs/dbraw/zinc/22/88/38/186228838.db2.gz	ZQBMWFNAJRMONV-UHFFFAOYSA-N	0	2	318.333	2.222	10	5		DEBELN
CNc1snc(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000182090201	356109003	/nfs/dbraw/zinc/10/90/03/356109003.db2.gz	GRJGKVYKUXOCEU-UHFFFAOYSA-N	0	2	308.319	2.359	10	5		DEBELN
CCOc1ncccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183894890	356181873	/nfs/dbraw/zinc/18/18/73/356181873.db2.gz	ONLIEDJEPCWTQF-UHFFFAOYSA-N	0	2	303.274	2.346	10	5		DEBELN
Cc1ccc([N+](=O)[O-])c(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1	ZINC000588037873	357390563	/nfs/dbraw/zinc/39/05/63/357390563.db2.gz	RYTAHPWUIPMEEK-UHFFFAOYSA-N	0	2	303.322	2.111	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@]2(CCCOC2)C1	ZINC000408416159	405202085	/nfs/dbraw/zinc/20/20/85/405202085.db2.gz	RWYBEVPGNULPDY-INIZCTEOSA-N	0	2	320.345	2.333	10	5		DEBELN
CCN(CC)C(=O)CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183897259	186228848	/nfs/dbraw/zinc/22/88/48/186228848.db2.gz	QGQJTMLVUSATSK-UHFFFAOYSA-N	0	2	323.349	2.278	10	5		DEBELN
CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1(C)C	ZINC000121737586	355797797	/nfs/dbraw/zinc/79/77/97/355797797.db2.gz	XOQADFLBYMPAEK-WDEREUQCSA-N	0	2	306.318	2.490	10	5		DEBELN
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000040414076	183063122	/nfs/dbraw/zinc/06/31/22/183063122.db2.gz	MAOYTFAHIIEADF-UHFFFAOYSA-N	0	2	310.335	2.044	10	5		DEBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CC(F)(F)C(F)(F)C1	ZINC000457931092	304549258	/nfs/dbraw/zinc/54/92/58/304549258.db2.gz	OIPOJENHTFQSRY-UHFFFAOYSA-N	0	2	308.187	2.027	10	5		DEBELN
O=C1OC(c2cccnc2)=N/C1=C/c1ccc([N+](=O)[O-])c(O)c1	ZINC000130227678	684186780	/nfs/dbraw/zinc/18/67/80/684186780.db2.gz	WQVQHUQKTJWLRX-IZZDOVSWSA-N	0	2	311.253	2.040	10	5		DEBELN
Cn1cc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1	ZINC000181979508	199370775	/nfs/dbraw/zinc/37/07/75/199370775.db2.gz	QEJAGOCDPOZOAH-CYBMUJFWSA-N	0	2	316.317	2.011	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCc2n[nH]cc21	ZINC000182088616	199385909	/nfs/dbraw/zinc/38/59/09/199385909.db2.gz	HPMNQWSNQPSADX-VIFPVBQESA-N	0	2	302.290	2.082	10	5		DEBELN
O=C(Cc1c[nH]c2ncccc12)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183920021	356181911	/nfs/dbraw/zinc/18/19/11/356181911.db2.gz	LGDHDCAASDQIFQ-UHFFFAOYSA-N	0	2	312.285	2.358	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H]2CCCC[C@H]21	ZINC000179436754	402590075	/nfs/dbraw/zinc/59/00/75/402590075.db2.gz	MHYSSHCVIFGXOX-OCCSQVGLSA-N	0	2	306.318	2.084	10	5		DEBELN
CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000174491701	402744111	/nfs/dbraw/zinc/74/41/11/402744111.db2.gz	JDPZCWCMTDGOPH-OAHLLOKOSA-N	0	2	310.350	2.217	10	5		DEBELN
CCO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000452875597	286450204	/nfs/dbraw/zinc/45/02/04/286450204.db2.gz	SBKMJGBPXSELOY-HZMBPMFUSA-N	0	2	308.334	2.188	10	5		DEBELN
C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCCC1	ZINC000436888519	405157516	/nfs/dbraw/zinc/15/75/16/405157516.db2.gz	SWWYIUXGGVRQRQ-MRXNPFEDSA-N	0	2	322.361	2.362	10	5		DEBELN
COc1c(O)cc2oc3c(OC)c(O)cc(C)c3c(=O)c2c1O	ZINC000096023815	294905490	/nfs/dbraw/zinc/90/54/90/294905490.db2.gz	PWBCXOKCVLBBMI-UHFFFAOYSA-N	0	2	318.281	2.389	10	5	biogenic	DEBELN
O=C(COc1ccc(F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000183910889	356181979	/nfs/dbraw/zinc/18/19/79/356181979.db2.gz	VHWNNYMAXQJBPK-UHFFFAOYSA-N	0	2	306.249	2.457	10	5		DEBELN
CNc1sc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-]	ZINC000125362657	195741273	/nfs/dbraw/zinc/74/12/73/195741273.db2.gz	NXAQOAVVMVGSJO-UHFFFAOYSA-N	0	2	313.360	2.499	10	5		DEBELN
Cc1cc(C)n([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1	ZINC000089531370	401951219	/nfs/dbraw/zinc/95/12/19/401951219.db2.gz	HFZUBCULDXEJBS-SNVBAGLBSA-N	0	2	304.306	2.313	10	5		DEBELN
O=C(NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1O	ZINC000436595996	405107241	/nfs/dbraw/zinc/10/72/41/405107241.db2.gz	OFZIHOYJNWYSCG-UHFFFAOYSA-N	0	2	312.285	2.107	10	5		DEBELN
Cc1cc(S(=O)(=O)Nc2nccs2)cc([N+](=O)[O-])c1F	ZINC000164552610	197655629	/nfs/dbraw/zinc/65/56/29/197655629.db2.gz	KGVJPZJVUHBVHC-UHFFFAOYSA-N	0	2	317.323	2.300	10	5		DEBELN
Cn1cc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1	ZINC000181979492	199370433	/nfs/dbraw/zinc/37/04/33/199370433.db2.gz	QEJAGOCDPOZOAH-ZDUSSCGKSA-N	0	2	316.317	2.011	10	5		DEBELN
CCO[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1C	ZINC000456133210	405510632	/nfs/dbraw/zinc/51/06/32/405510632.db2.gz	GDPNKYGVUJWJAA-MFKMUULPSA-N	0	2	308.334	2.188	10	5		DEBELN
Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1	ZINC000064240789	418485954	/nfs/dbraw/zinc/48/59/54/418485954.db2.gz	OBFQRJUGNLLFKX-UHFFFAOYSA-N	0	2	305.362	2.222	10	5		DEBELN
CC(=O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1	ZINC000159392051	278253453	/nfs/dbraw/zinc/25/34/53/278253453.db2.gz	USDOIKKTFXBFMQ-UHFFFAOYSA-N	0	2	307.287	2.212	10	5		DEBELN
O=C(NCc1cnc(Cl)s1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000718803753	1088654183	/nfs/dbraw/zinc/65/41/83/1088654183.db2.gz	LIWCKNCHAMOBDV-UHFFFAOYSA-N	0	2	313.722	2.340	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000179436746	199034986	/nfs/dbraw/zinc/03/49/86/199034986.db2.gz	MHYSSHCVIFGXOX-GXTWGEPZSA-N	0	2	306.318	2.084	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1	ZINC000126437926	401694314	/nfs/dbraw/zinc/69/43/14/401694314.db2.gz	QWTXXWPENKSDAB-UHFFFAOYSA-N	0	2	324.362	2.380	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1	ZINC000126533923	401698563	/nfs/dbraw/zinc/69/85/63/401698563.db2.gz	UUNMQDMEXBNKPT-UHFFFAOYSA-N	0	2	324.362	2.380	10	5		DEBELN
Cc1cnc(CCN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)s1	ZINC000184891441	402307310	/nfs/dbraw/zinc/30/73/10/402307310.db2.gz	CDYJTPGVGAXCBH-UHFFFAOYSA-N	0	2	321.358	2.380	10	5		DEBELN
CCO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C	ZINC000452875598	286215276	/nfs/dbraw/zinc/21/52/76/286215276.db2.gz	SBKMJGBPXSELOY-IINYFYTJSA-N	0	2	308.334	2.188	10	5		DEBELN
O=c1[nH]nc([C@H]2CCCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1	ZINC000376459531	404823129	/nfs/dbraw/zinc/82/31/29/404823129.db2.gz	FVEMDYLWDHICQF-QMMMGPOBSA-N	0	2	323.740	2.456	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccc1C	ZINC000069901024	418488667	/nfs/dbraw/zinc/48/86/67/418488667.db2.gz	SQLNAHHKLUQJSW-UHFFFAOYSA-N	0	2	323.330	2.108	10	5		DEBELN
O=C(N[C@H]1CCOC2(CCC2)C1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000514957020	269339124	/nfs/dbraw/zinc/33/91/24/269339124.db2.gz	KNFFHKCLOQQELE-JTQLQIEISA-N	0	2	306.318	2.132	10	5		DEBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCOC[C@H](C2CCC2)C1	ZINC000574354019	326146916	/nfs/dbraw/zinc/14/69/16/326146916.db2.gz	KYEJOZPRKBZTDO-GFCCVEGCSA-N	0	2	320.345	2.189	10	5		DEBELN
CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC(C)(C)O1	ZINC000318652051	282881850	/nfs/dbraw/zinc/88/18/50/282881850.db2.gz	GDILNCMMOIXZIS-UHFFFAOYSA-N	0	2	308.334	2.330	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000066253198	402129247	/nfs/dbraw/zinc/12/92/47/402129247.db2.gz	HRIXTFSTZBSWMT-UHFFFAOYSA-N	0	2	324.362	2.311	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cn1	ZINC000069901106	418487736	/nfs/dbraw/zinc/48/77/36/418487736.db2.gz	XHNXYCTZDMVXII-UHFFFAOYSA-N	0	2	323.330	2.108	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1	ZINC000177750193	521380782	/nfs/dbraw/zinc/38/07/82/521380782.db2.gz	AGEKNRTWJYEEIX-UHFFFAOYSA-N	0	2	324.362	2.380	10	5		DEBELN
CCNc1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1	ZINC000166157738	402482129	/nfs/dbraw/zinc/48/21/29/402482129.db2.gz	RRYOTCXWWOPMQN-UHFFFAOYSA-N	0	2	308.319	2.441	10	5		DEBELN
CCOC(=O)Cc1cc([N+](=O)[O-])c(O)cc1Br	ZINC000575700250	406820667	/nfs/dbraw/zinc/82/06/67/406820667.db2.gz	RKYSCBPTCQQHIY-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
CC(C)Cn1ccnc1NC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000182136266	279258874	/nfs/dbraw/zinc/25/88/74/279258874.db2.gz	IDVBBODVPDTEMU-UHFFFAOYSA-N	0	2	304.306	2.405	10	5		DEBELN
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1nnc(Cl)s1	ZINC000159744999	186139122	/nfs/dbraw/zinc/13/91/22/186139122.db2.gz	WPRXTUZXUSOWIP-UHFFFAOYSA-N	0	2	302.674	2.491	10	5		DEBELN
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccccc1O	ZINC000020022894	182179583	/nfs/dbraw/zinc/17/95/83/182179583.db2.gz	PKRNZTDCLPZFOB-UHFFFAOYSA-N	0	2	312.278	2.240	10	5		DEBELN
O=c1[nH]nc(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[nH]1	ZINC000189437472	145027480	/nfs/dbraw/zinc/02/74/80/145027480.db2.gz	JIGGBMIEQMZJJI-UHFFFAOYSA-N	0	2	319.302	2.366	10	5		DEBELN
CC(C)Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000182046689	402665480	/nfs/dbraw/zinc/66/54/80/402665480.db2.gz	UONHBOSKACJXER-UHFFFAOYSA-N	0	2	318.333	2.083	10	5		DEBELN
COc1ccc(F)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000188684783	225030019	/nfs/dbraw/zinc/03/00/19/225030019.db2.gz	JVVXHLVVDQMENR-UHFFFAOYSA-N	0	2	320.276	2.378	10	5		DEBELN
O=[N+]([O-])C[C@@](O)(c1ccc(Br)cc1)C(F)(F)F	ZINC000584660931	337378227	/nfs/dbraw/zinc/37/82/27/337378227.db2.gz	FEWZNHQLJIDVEB-MRVPVSSYSA-N	0	2	314.057	2.476	10	5		DEBELN
CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000442223162	528402520	/nfs/dbraw/zinc/40/25/20/528402520.db2.gz	LUKKIHUHBNLIBQ-UHFFFAOYSA-N	0	2	324.362	2.253	10	5		DEBELN
C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000188630593	200278214	/nfs/dbraw/zinc/27/82/14/200278214.db2.gz	HCDQVQNDCJABQS-VIFPVBQESA-N	0	2	323.349	2.180	10	5		DEBELN
O=C(NCc1ccc2cc[nH]c2n1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000359416352	147324185	/nfs/dbraw/zinc/32/41/85/147324185.db2.gz	JOFOONVZHSHDFG-UHFFFAOYSA-N	0	2	312.285	2.107	10	5		DEBELN
CCN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000182156392	199394482	/nfs/dbraw/zinc/39/44/82/199394482.db2.gz	ATABJDYTGPJJER-UHFFFAOYSA-N	0	2	321.358	2.462	10	5		DEBELN
CC(C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000182066659	402666085	/nfs/dbraw/zinc/66/60/85/402666085.db2.gz	BOUDNQPKQWFPLK-OAHLLOKOSA-N	0	2	310.350	2.217	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000182124398	402667554	/nfs/dbraw/zinc/66/75/54/402667554.db2.gz	JRYMLLPCWKMQCQ-BZNIZROVSA-N	0	2	320.345	2.068	10	5		DEBELN
Cc1ccc2c(n1)OCCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000184042347	301919067	/nfs/dbraw/zinc/91/90/67/301919067.db2.gz	VVRICRKZRCKKME-UHFFFAOYSA-N	0	2	315.285	2.043	10	5		DEBELN
CCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC)CC)c1	ZINC000050636655	183793181	/nfs/dbraw/zinc/79/31/81/183793181.db2.gz	ITHZLLOTLJTOPK-UHFFFAOYSA-N	0	2	315.395	2.447	10	5		DEBELN
CC(C)Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1	ZINC000166186313	402482011	/nfs/dbraw/zinc/48/20/11/402482011.db2.gz	RRSYZCPXVUFKQY-UHFFFAOYSA-N	0	2	304.306	2.405	10	5		DEBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn2ccnc2s1	ZINC000188827985	225036404	/nfs/dbraw/zinc/03/64/04/225036404.db2.gz	JRFNCHHZZNXJLE-UHFFFAOYSA-N	0	2	304.287	2.262	10	5		DEBELN
O=C(N[C@@H]1CCOC2(CCC2)C1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000514957022	269338803	/nfs/dbraw/zinc/33/88/03/269338803.db2.gz	KNFFHKCLOQQELE-SNVBAGLBSA-N	0	2	306.318	2.132	10	5		DEBELN
COc1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000183899695	356182343	/nfs/dbraw/zinc/18/23/43/356182343.db2.gz	QULGSIXNNCCLFU-UHFFFAOYSA-N	0	2	302.286	2.490	10	5		DEBELN
CCOc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000089541024	401951265	/nfs/dbraw/zinc/95/12/65/401951265.db2.gz	KCIVBGWLTCHWJB-UHFFFAOYSA-N	0	2	303.274	2.346	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOc2ccccc21	ZINC000184646911	402288009	/nfs/dbraw/zinc/28/80/09/402288009.db2.gz	ZTNXHNSXMWRAQH-UHFFFAOYSA-N	0	2	300.270	2.340	10	5		DEBELN
Cn1cc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1	ZINC000184750249	402297340	/nfs/dbraw/zinc/29/73/40/402297340.db2.gz	NUZXKBFHOKCZCF-ZDUSSCGKSA-N	0	2	316.317	2.011	10	5		DEBELN
C[C@H](Oc1cccnc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000186011230	402396467	/nfs/dbraw/zinc/39/64/67/402396467.db2.gz	KIJGIWKHRBVLFC-VIFPVBQESA-N	0	2	303.274	2.101	10	5		DEBELN
COc1ccc(-c2nc3ccc(O)cc3c(=O)o2)cc1[N+](=O)[O-]	ZINC000059210599	184135689	/nfs/dbraw/zinc/13/56/89/184135689.db2.gz	GGAUSCFWUIYAJH-UHFFFAOYSA-N	0	2	314.253	2.477	10	5		DEBELN
Cn1cc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1	ZINC000171486619	402589653	/nfs/dbraw/zinc/58/96/53/402589653.db2.gz	DDHKIVAWHNLDKN-GFCCVEGCSA-N	0	2	316.317	2.011	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1	ZINC000174252654	402733868	/nfs/dbraw/zinc/73/38/68/402733868.db2.gz	YBENPIMYOWLWCK-UHFFFAOYSA-N	0	2	314.344	2.466	10	5		DEBELN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccncc1	ZINC000613980807	362257207	/nfs/dbraw/zinc/25/72/07/362257207.db2.gz	SOIHNFDVEHQTOP-JTQLQIEISA-N	0	2	301.302	2.229	10	5		DEBELN
COc1ccc(Oc2ncnc(NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040629041	183110687	/nfs/dbraw/zinc/11/06/87/183110687.db2.gz	UKPJMBHTBUZJKS-UHFFFAOYSA-N	0	2	305.294	2.074	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H]2CCCC[C@@H]21	ZINC000066921049	402146448	/nfs/dbraw/zinc/14/64/48/402146448.db2.gz	FAWGDYRHRYTTHP-JSGCOSHPSA-N	0	2	306.318	2.084	10	5		DEBELN
O=C(N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000195106015	402832449	/nfs/dbraw/zinc/83/24/49/402832449.db2.gz	IZBLSGBOJMNPOJ-LLVKDONJSA-N	0	2	300.270	2.164	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000182124433	199389939	/nfs/dbraw/zinc/38/99/39/199389939.db2.gz	JRYMLLPCWKMQCQ-ZBEGNZNMSA-N	0	2	320.345	2.068	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000157911067	402300079	/nfs/dbraw/zinc/30/00/79/402300079.db2.gz	DKRVFBQAZPKGCL-ZDUSSCGKSA-N	0	2	316.317	2.391	10	5		DEBELN
CC(C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000182066640	527863020	/nfs/dbraw/zinc/86/30/20/527863020.db2.gz	BOUDNQPKQWFPLK-HNNXBMFYSA-N	0	2	310.350	2.217	10	5		DEBELN
COc1cnccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000189665745	533149072	/nfs/dbraw/zinc/14/90/72/533149072.db2.gz	ZQKSYUDPVKQKPG-VIFPVBQESA-N	0	2	317.301	2.195	10	5		DEBELN
O=C(N[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	ZINC000179462347	402590960	/nfs/dbraw/zinc/59/09/60/402590960.db2.gz	RZUKYOOZVSLRLF-LBPRGKRZSA-N	0	2	300.270	2.164	10	5		DEBELN
O=C(NCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000182621639	402704258	/nfs/dbraw/zinc/70/42/58/402704258.db2.gz	DKWFNCNJFDZWIV-UHFFFAOYSA-N	0	2	307.693	2.279	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000066253144	354706314	/nfs/dbraw/zinc/70/63/14/354706314.db2.gz	HDCRXSKFUSSFHZ-UHFFFAOYSA-N	0	2	324.362	2.311	10	5		DEBELN
CCC(F)(F)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000599431386	359496516	/nfs/dbraw/zinc/49/65/16/359496516.db2.gz	GYCOMJQWIILYQU-UHFFFAOYSA-N	0	2	312.269	2.058	10	5		DEBELN
COc1cnccc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000189549123	533148836	/nfs/dbraw/zinc/14/88/36/533148836.db2.gz	XVJPDAJNKBKVEE-VIFPVBQESA-N	0	2	317.301	2.195	10	5		DEBELN
CCO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000452875600	286450273	/nfs/dbraw/zinc/45/02/73/286450273.db2.gz	SBKMJGBPXSELOY-YGRLFVJLSA-N	0	2	308.334	2.188	10	5		DEBELN
O=C(Nc1cccc(CCCO)c1)c1ccc(O)c([N+](=O)[O-])c1	ZINC000436986415	405174190	/nfs/dbraw/zinc/17/41/90/405174190.db2.gz	FXADVACWHMVBJU-UHFFFAOYSA-N	0	2	316.313	2.478	10	5		DEBELN
CC(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000174491689	527862918	/nfs/dbraw/zinc/86/29/18/527862918.db2.gz	JDPZCWCMTDGOPH-HNNXBMFYSA-N	0	2	310.350	2.217	10	5		DEBELN
C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	ZINC000611535460	361624799	/nfs/dbraw/zinc/62/47/99/361624799.db2.gz	DDDYIWYCRBXGRJ-JTQLQIEISA-N	0	2	301.302	2.229	10	5		DEBELN
CCc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)s1	ZINC000158060968	402301438	/nfs/dbraw/zinc/30/14/38/402301438.db2.gz	BLSNVUAZJYSJMQ-UHFFFAOYSA-N	0	2	321.358	2.292	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000184841097	402303673	/nfs/dbraw/zinc/30/36/73/402303673.db2.gz	VRKPSJHHJSCOON-ZBEGNZNMSA-N	0	2	320.345	2.068	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000066253142	354706629	/nfs/dbraw/zinc/70/66/29/354706629.db2.gz	NQHMMIDKDPJRGZ-UHFFFAOYSA-N	0	2	310.335	2.002	10	5		DEBELN
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1	ZINC000043570336	183372398	/nfs/dbraw/zinc/37/23/98/183372398.db2.gz	MDILFCOHNJPHAP-UHFFFAOYSA-N	0	2	310.335	2.044	10	5		DEBELN
O=C(NCCCc1ccccn1)c1ccc([N+](=O)[O-])cc1O	ZINC000185257524	402339217	/nfs/dbraw/zinc/33/92/17/402339217.db2.gz	HBMLPTZZGCWBDE-UHFFFAOYSA-N	0	2	301.302	2.058	10	5		DEBELN
Cc1noc(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000166182384	402481641	/nfs/dbraw/zinc/48/16/41/402481641.db2.gz	SMUZNSSONXGHDP-UHFFFAOYSA-N	0	2	305.290	2.477	10	5		DEBELN
O=c1[nH]nc([C@@H]2CCCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)[nH]1	ZINC000376459530	304802514	/nfs/dbraw/zinc/80/25/14/304802514.db2.gz	FVEMDYLWDHICQF-MRVPVSSYSA-N	0	2	323.740	2.456	10	5		DEBELN
O=C(N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1	ZINC000060471764	303988496	/nfs/dbraw/zinc/98/84/96/303988496.db2.gz	IZBLSGBOJMNPOJ-NSHDSACASA-N	0	2	300.270	2.164	10	5		DEBELN
C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1	ZINC000611535461	361624733	/nfs/dbraw/zinc/62/47/33/361624733.db2.gz	DDDYIWYCRBXGRJ-SNVBAGLBSA-N	0	2	301.302	2.229	10	5		DEBELN
O=C(NCc1ccc2cc[nH]c2n1)c1cc([N+](=O)[O-])ccc1O	ZINC000436806066	237775657	/nfs/dbraw/zinc/77/56/57/237775657.db2.gz	FNFQLVCEMBGDNR-UHFFFAOYSA-N	0	2	312.285	2.107	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1	ZINC000126481852	401696161	/nfs/dbraw/zinc/69/61/61/401696161.db2.gz	YYGKQOYAQGLQRY-UHFFFAOYSA-N	0	2	310.335	2.071	10	5		DEBELN
CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1	ZINC000174019536	402723844	/nfs/dbraw/zinc/72/38/44/402723844.db2.gz	VQPOMGFGVXNVIF-UHFFFAOYSA-N	0	2	319.389	2.476	10	5		DEBELN
C[C@@]12CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]1C2(F)F	ZINC000294682486	403724606	/nfs/dbraw/zinc/72/46/06/403724606.db2.gz	MCNIIIFCZBMERF-GXFFZTMASA-N	0	2	312.272	2.418	10	5		DEBELN
C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1	ZINC000436885620	237784136	/nfs/dbraw/zinc/78/41/36/237784136.db2.gz	HSBXOJYIRQCETQ-MRXNPFEDSA-N	0	2	322.361	2.362	10	5		DEBELN
CCN(CCc1nccs1)C(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000159482525	402323989	/nfs/dbraw/zinc/32/39/89/402323989.db2.gz	VLAOPEYHRLUEGD-UHFFFAOYSA-N	0	2	321.358	2.462	10	5		DEBELN
COCc1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1	ZINC000160416696	402344495	/nfs/dbraw/zinc/34/44/95/402344495.db2.gz	DUULZVRRBOPXGJ-UHFFFAOYSA-N	0	2	309.303	2.156	10	5		DEBELN
CCO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1C	ZINC000452875599	286215309	/nfs/dbraw/zinc/21/53/09/286215309.db2.gz	SBKMJGBPXSELOY-QMTHXVAHSA-N	0	2	308.334	2.188	10	5		DEBELN
CCO[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C	ZINC000456133208	286215618	/nfs/dbraw/zinc/21/56/18/286215618.db2.gz	GDPNKYGVUJWJAA-GXFFZTMASA-N	0	2	308.334	2.188	10	5		DEBELN
COCc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000613235720	362051207	/nfs/dbraw/zinc/05/12/07/362051207.db2.gz	LLXYCROVHMFZDS-UHFFFAOYSA-N	0	2	303.274	2.094	10	5		DEBELN
COCc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1	ZINC000182139296	402668333	/nfs/dbraw/zinc/66/83/33/402668333.db2.gz	XSNMDPOOJNCLQC-UHFFFAOYSA-N	0	2	309.303	2.156	10	5		DEBELN
CCOC(=O)Cc1cc(Br)cc(O)c1[N+](=O)[O-]	ZINC000575700779	406820587	/nfs/dbraw/zinc/82/05/87/406820587.db2.gz	XUWYVLOXDBPWOW-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
Cc1ccc2cccc(Oc3ncnc(NN)c3[N+](=O)[O-])c2n1	ZINC000040618644	183109711	/nfs/dbraw/zinc/10/97/11/183109711.db2.gz	KWBWFZFNDBOJML-UHFFFAOYSA-N	0	2	312.289	2.319	10	5		DEBELN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnoc2)ccc1Cl	ZINC000060393589	184148091	/nfs/dbraw/zinc/14/80/91/184148091.db2.gz	IDSIBPQKUXPBLA-UHFFFAOYSA-N	0	2	303.683	2.037	10	5		DEBELN
CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cs1	ZINC000107776108	402240881	/nfs/dbraw/zinc/24/08/81/402240881.db2.gz	WSBIPTNHQDLPFD-UHFFFAOYSA-N	0	2	307.331	2.249	10	5		DEBELN
CCOC(=O)Cc1cc([N+](=O)[O-])cc(O)c1Br	ZINC000575699199	406820543	/nfs/dbraw/zinc/82/05/43/406820543.db2.gz	FMKPJUCOWBWPJR-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
CCOC(=O)Cc1cc(O)c([N+](=O)[O-])cc1Br	ZINC000575699650	406820565	/nfs/dbraw/zinc/82/05/65/406820565.db2.gz	LNIZQMYNXUOJQO-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
CCOC(=O)Cc1cc(Br)c(O)cc1[N+](=O)[O-]	ZINC000575699577	406820768	/nfs/dbraw/zinc/82/07/68/406820768.db2.gz	JHDHMOYEQBBSSN-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H]2CCCC[C@H]21	ZINC000184671400	304533713	/nfs/dbraw/zinc/53/37/13/304533713.db2.gz	MIGXQNKPSLZIRT-OCCSQVGLSA-N	0	2	306.318	2.084	10	5		DEBELN
CS(=O)(=O)Nc1cccc(-c2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000095494993	185373811	/nfs/dbraw/zinc/37/38/11/185373811.db2.gz	SFYLEVKITQLSAN-UHFFFAOYSA-N	0	2	308.315	2.339	10	5		DEBELN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2O)cc1F	ZINC000149020902	186047028	/nfs/dbraw/zinc/04/70/28/186047028.db2.gz	NLWAVAYLHKQFKJ-UHFFFAOYSA-N	0	2	312.278	2.240	10	5		DEBELN
Cc1ccc([N+](=O)[O-])cc1C(C)N1CCOC2(CCOC2)C1	ZINC000249046017	292296684	/nfs/dbraw/zinc/29/66/84/292296684.db2.gz	VVSYEKJCEIZHRF-BBRMVZONSA-N	0	2	306.362	2.456	10	5		DEBELN
CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000175928545	282197050	/nfs/dbraw/zinc/19/70/50/282197050.db2.gz	NHVDPNXFXASISF-UHFFFAOYSA-N	0	2	318.333	2.083	10	5		DEBELN
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000088302437	185245092	/nfs/dbraw/zinc/24/50/92/185245092.db2.gz	NNXCTUOVNWEKNK-UWVGGRQHSA-N	0	2	315.395	2.280	10	5		DEBELN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000005582879	181260622	/nfs/dbraw/zinc/26/06/22/181260622.db2.gz	JUONWMCEPUNHCQ-UHFFFAOYSA-N	0	2	323.286	2.304	10	5		DEBELN
O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1nnc(Cl)s1	ZINC000159773366	197363422	/nfs/dbraw/zinc/36/34/22/197363422.db2.gz	KZWGXLONVRBAFT-UHFFFAOYSA-N	0	2	302.674	2.491	10	5		DEBELN
CCc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1	ZINC000075181773	401753788	/nfs/dbraw/zinc/75/37/88/401753788.db2.gz	DBLHRDBTZFIBJD-UHFFFAOYSA-N	0	2	321.358	2.292	10	5		DEBELN
CC(C)Cn1ccnc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1	ZINC000160208529	197393032	/nfs/dbraw/zinc/39/30/32/197393032.db2.gz	RWKXOJQRKQODCA-UHFFFAOYSA-N	0	2	304.306	2.405	10	5		DEBELN
CC(=O)Oc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1	ZINC000021027706	182262472	/nfs/dbraw/zinc/26/24/72/182262472.db2.gz	AWNQFRNPIXUDFI-UHFFFAOYSA-N	0	2	316.269	2.478	10	5		DEBELN
O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1cccc(O)c1	ZINC000021506160	182276151	/nfs/dbraw/zinc/27/61/51/182276151.db2.gz	DOLGDPUFVUPFTG-UHFFFAOYSA-N	0	2	312.278	2.240	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000066253322	402129571	/nfs/dbraw/zinc/12/95/71/402129571.db2.gz	KIPGPCICNPKZQZ-UHFFFAOYSA-N	0	2	324.362	2.311	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1C	ZINC000154030849	402187902	/nfs/dbraw/zinc/18/79/02/402187902.db2.gz	LHWOMNYHKGOKPH-UHFFFAOYSA-N	0	2	323.330	2.108	10	5		DEBELN
Cc1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131156797	196144973	/nfs/dbraw/zinc/14/49/73/196144973.db2.gz	IWBILHNAYMYPBJ-UHFFFAOYSA-N	0	2	311.294	2.238	10	5		DEBELN
CCNc1ncnc(NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000040596228	183106552	/nfs/dbraw/zinc/10/65/52/183106552.db2.gz	HXXPRPMFDDGDQI-UHFFFAOYSA-N	0	2	319.281	2.164	10	5		DEBELN
O=C(N[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1O	ZINC000184716208	402294263	/nfs/dbraw/zinc/29/42/63/402294263.db2.gz	VOTDUOQHFNGICP-LBPRGKRZSA-N	0	2	300.270	2.164	10	5		DEBELN
O=c1[nH]nc(Sc2ccc([N+](=O)[O-])cc2Br)[nH]1	ZINC000193533040	402772064	/nfs/dbraw/zinc/77/20/64/402772064.db2.gz	JZCKGNDQTNWNRT-UHFFFAOYSA-N	0	2	317.124	2.332	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2O1	ZINC000183902190	402803914	/nfs/dbraw/zinc/80/39/14/402803914.db2.gz	UDKOIJCPNBIPPG-AWEZNQCLSA-N	0	2	300.270	2.243	10	5		DEBELN
COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1CO	ZINC000436985123	534171853	/nfs/dbraw/zinc/17/18/53/534171853.db2.gz	GWQGFFOLCPEEDP-UHFFFAOYSA-N	0	2	318.285	2.054	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000228375780	356281383	/nfs/dbraw/zinc/28/13/83/356281383.db2.gz	LIHYAMAKXBAOAL-UHFFFAOYSA-N	0	2	310.335	2.071	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000179436764	402590333	/nfs/dbraw/zinc/59/03/33/402590333.db2.gz	MHYSSHCVIFGXOX-TZMCWYRMSA-N	0	2	306.318	2.084	10	5		DEBELN
O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H](C2CCC2)C1	ZINC000293638096	403525497	/nfs/dbraw/zinc/52/54/97/403525497.db2.gz	FWUHNABIJXXPQZ-LBPRGKRZSA-N	0	2	320.345	2.189	10	5		DEBELN
CC(C)Cn1ccnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000064662018	418485124	/nfs/dbraw/zinc/48/51/24/418485124.db2.gz	ROBOOAGDNRTDPL-UHFFFAOYSA-N	0	2	304.306	2.405	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000184841035	304534522	/nfs/dbraw/zinc/53/45/22/304534522.db2.gz	VRKPSJHHJSCOON-BDJLRTHQSA-N	0	2	320.345	2.068	10	5		DEBELN
CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1	ZINC000157405083	197185552	/nfs/dbraw/zinc/18/55/52/197185552.db2.gz	QSUBRKZGXDOJRY-UHFFFAOYSA-N	0	2	324.362	2.380	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H]2CCCC[C@H]21	ZINC000184671419	402290487	/nfs/dbraw/zinc/29/04/87/402290487.db2.gz	MIGXQNKPSLZIRT-TZMCWYRMSA-N	0	2	306.318	2.084	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000157910916	402299867	/nfs/dbraw/zinc/29/98/67/402299867.db2.gz	DKRVFBQAZPKGCL-CYBMUJFWSA-N	0	2	316.317	2.391	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc2C1	ZINC000186022438	402397134	/nfs/dbraw/zinc/39/71/34/402397134.db2.gz	BHIAOCDVNVPRQH-NSHDSACASA-N	0	2	314.297	2.490	10	5		DEBELN
CCOC(=O)Cc1cc(O)cc(Br)c1[N+](=O)[O-]	ZINC000575700665	406820795	/nfs/dbraw/zinc/82/07/95/406820795.db2.gz	XABNEOYYBYEYCT-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
Cc1nc2c(nccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]1	ZINC000437005227	644236790	/nfs/dbraw/zinc/23/67/90/644236790.db2.gz	SLLLKVPPRFSOKI-UHFFFAOYSA-N	0	2	313.273	2.132	10	5		DEBELN
COc1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1	ZINC000183895209	356182430	/nfs/dbraw/zinc/18/24/30/356182430.db2.gz	ZRVGFCKBYRDWTP-UHFFFAOYSA-N	0	2	302.286	2.490	10	5		DEBELN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1	ZINC000046542394	401970932	/nfs/dbraw/zinc/97/09/32/401970932.db2.gz	UVTNVYQLYLAGIG-UHFFFAOYSA-N	0	2	308.315	2.404	10	5		DEBELN
C[C@@H](Oc1cccnc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000186011249	402396506	/nfs/dbraw/zinc/39/65/06/402396506.db2.gz	KIJGIWKHRBVLFC-SECBINFHSA-N	0	2	303.274	2.101	10	5		DEBELN
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1	ZINC000436885619	405157388	/nfs/dbraw/zinc/15/73/88/405157388.db2.gz	HSBXOJYIRQCETQ-INIZCTEOSA-N	0	2	322.361	2.362	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2cc[nH]n2)CC1	ZINC000182035454	402664468	/nfs/dbraw/zinc/66/44/68/402664468.db2.gz	HIIMQPPNPPHNLY-UHFFFAOYSA-N	0	2	316.317	2.043	10	5		DEBELN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)cn1	ZINC000131261508	196154887	/nfs/dbraw/zinc/15/48/87/196154887.db2.gz	IOBJVNVAFZMYIE-UHFFFAOYSA-N	0	2	311.294	2.238	10	5		DEBELN
O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@]2(CCCOC2)C1	ZINC000408069202	304501499	/nfs/dbraw/zinc/50/14/99/304501499.db2.gz	ATJDLGRYZWRXRL-MRXNPFEDSA-N	0	2	320.345	2.333	10	5		DEBELN
O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1	ZINC000006858693	181398784	/nfs/dbraw/zinc/39/87/84/181398784.db2.gz	IJDFKNUDMHEOKD-UHFFFAOYSA-N	0	2	313.722	2.444	10	5		DEBELN
Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1	ZINC000064245092	184293318	/nfs/dbraw/zinc/29/33/18/184293318.db2.gz	SDXHOJJBUNLMCV-UHFFFAOYSA-N	0	2	305.362	2.222	10	5		DEBELN
COc1cnccc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000189549145	533140472	/nfs/dbraw/zinc/14/04/72/533140472.db2.gz	XVJPDAJNKBKVEE-SECBINFHSA-N	0	2	317.301	2.195	10	5		DEBELN
CC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1	ZINC000542833946	285260050	/nfs/dbraw/zinc/26/00/50/285260050.db2.gz	NLLMRABIZQPTNC-UHFFFAOYSA-N	0	2	301.258	2.150	10	5		DEBELN
COCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1	ZINC000115723199	401835876	/nfs/dbraw/zinc/83/58/76/401835876.db2.gz	WQFFWIUHQLWVSS-UHFFFAOYSA-N	0	2	309.303	2.156	10	5		DEBELN
CCCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	ZINC000066253275	402129539	/nfs/dbraw/zinc/12/95/39/402129539.db2.gz	AVDLXNJCXKFIKO-UHFFFAOYSA-N	0	2	324.362	2.311	10	5		DEBELN
CC(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC000187513942	402503415	/nfs/dbraw/zinc/50/34/15/402503415.db2.gz	WPMYQHNBZMOMQW-OAHLLOKOSA-N	0	2	310.350	2.217	10	5		DEBELN
CCO[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1C	ZINC000456133206	405510620	/nfs/dbraw/zinc/51/06/20/405510620.db2.gz	GDPNKYGVUJWJAA-GWCFXTLKSA-N	0	2	308.334	2.188	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H]2CCCC[C@@H]21	ZINC000184671379	304533878	/nfs/dbraw/zinc/53/38/78/304533878.db2.gz	MIGXQNKPSLZIRT-GXTWGEPZSA-N	0	2	306.318	2.084	10	5		DEBELN
CN(C)c1cc[nH+]c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000612347283	361800330	/nfs/dbraw/zinc/80/03/30/361800330.db2.gz	WTSABFFBMYPHPC-UHFFFAOYSA-N	0	2	302.290	2.014	10	5		DEBELN
CCCCS(=O)(=O)Nc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000041529532	183197815	/nfs/dbraw/zinc/19/78/15/183197815.db2.gz	AIFPLSYFKNCAQB-UHFFFAOYSA-N	0	2	318.351	2.154	10	5		DEBELN
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21	ZINC000183897540	402803406	/nfs/dbraw/zinc/80/34/06/402803406.db2.gz	QRRNVQGFZYEAEX-NSHDSACASA-N	0	2	300.270	2.415	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000182015497	304503993	/nfs/dbraw/zinc/50/39/93/304503993.db2.gz	YWPCEOXXWNEZPM-CYBMUJFWSA-N	0	2	316.317	2.391	10	5		DEBELN
COc1cnccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000189665765	533139955	/nfs/dbraw/zinc/13/99/55/533139955.db2.gz	ZQKSYUDPVKQKPG-SECBINFHSA-N	0	2	317.301	2.195	10	5		DEBELN
CC(=O)c1cnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1	ZINC000352984833	404711300	/nfs/dbraw/zinc/71/13/00/404711300.db2.gz	JSBXBQWWGWNPLF-UHFFFAOYSA-N	0	2	307.287	2.212	10	5		DEBELN
O=C(NCCSC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-]	ZINC000227879645	646608865	/nfs/dbraw/zinc/60/88/65/646608865.db2.gz	ZYVOSZSOJREOJA-UHFFFAOYSA-N	0	2	310.253	2.283	10	5		DEBELN
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000088302436	185245076	/nfs/dbraw/zinc/24/50/76/185245076.db2.gz	NNXCTUOVNWEKNK-ZJUUUORDSA-N	0	2	315.395	2.280	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(O)CCCC[C@H]2C1	ZINC000005478464	181248056	/nfs/dbraw/zinc/24/80/56/181248056.db2.gz	ASKYTQIXIOPGOO-BBRMVZONSA-N	0	2	304.346	2.362	10	5		DEBELN
Cc1c(Cl)cc(S(=O)(=O)Nc2ncc[nH]2)cc1[N+](=O)[O-]	ZINC000110537755	194337791	/nfs/dbraw/zinc/33/77/91/194337791.db2.gz	ZZMHPUGBPOAJQF-UHFFFAOYSA-N	0	2	316.726	2.081	10	5		DEBELN
O=C(N[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1O	ZINC000184716186	402294400	/nfs/dbraw/zinc/29/44/00/402294400.db2.gz	VOTDUOQHFNGICP-GFCCVEGCSA-N	0	2	300.270	2.164	10	5		DEBELN
Cc1noc2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc12	ZINC000155969785	402272478	/nfs/dbraw/zinc/27/24/78/402272478.db2.gz	HANNDJBFWWDVAO-UHFFFAOYSA-N	0	2	314.257	2.397	10	5		DEBELN
O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1O	ZINC000179462337	402590643	/nfs/dbraw/zinc/59/06/43/402590643.db2.gz	RZUKYOOZVSLRLF-GFCCVEGCSA-N	0	2	300.270	2.164	10	5		DEBELN
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn2c1CCCC2	ZINC000180772915	402625615	/nfs/dbraw/zinc/62/56/15/402625615.db2.gz	JEIIYHPQPFGCRC-UHFFFAOYSA-N	0	2	302.290	2.086	10	5		DEBELN
CCOC(=O)Cc1c(O)ccc([N+](=O)[O-])c1Br	ZINC000575700289	406820557	/nfs/dbraw/zinc/82/05/57/406820557.db2.gz	UEJCOJYPWSNGBB-UHFFFAOYSA-N	0	2	304.096	2.169	10	5		DEBELN
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc[nH]1	ZINC000133785030	186012090	/nfs/dbraw/zinc/01/20/90/186012090.db2.gz	HQUXZEVTOMNRNK-UHFFFAOYSA-N	0	2	316.726	2.081	10	5		DEBELN
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1nccs1	ZINC000094779953	193397113	/nfs/dbraw/zinc/39/71/13/193397113.db2.gz	DQAFPAHNGRHEPM-UHFFFAOYSA-N	0	2	317.323	2.300	10	5		DEBELN
Cc1nc([N-]c2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])sc1C	ZINC000040650081	183113972	/nfs/dbraw/zinc/11/39/72/183113972.db2.gz	WTXNQIFBQZABOV-UHFFFAOYSA-N	0	2	317.334	2.387	10	5		DEBELN
O=[N+]([O-])c1cc(S(=O)(=O)NCC(F)(F)F)sc1Cl	ZINC000157404288	197185543	/nfs/dbraw/zinc/18/55/43/197185543.db2.gz	YBYRLQCVAZTEBC-UHFFFAOYSA-N	0	2	324.689	2.150	10	5		DEBELN
O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@]2(O)CCCC[C@H]2C1	ZINC000182124416	402667720	/nfs/dbraw/zinc/66/77/20/402667720.db2.gz	JRYMLLPCWKMQCQ-MEDUHNTESA-N	0	2	320.345	2.068	10	5		DEBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOc2ccccc21	ZINC000183388993	304530562	/nfs/dbraw/zinc/53/05/62/304530562.db2.gz	LDIBXYUASQBKCR-UHFFFAOYSA-N	0	2	300.270	2.340	10	5		DEBELN