smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1Nc2nc3ccccc3n2[C@H](C=Cc2cccc([N+](=O)[O-])c2)N1	ZINC000575442902	548087097	/nfs/dbraw/zinc/08/70/97/548087097.db2.gz	RRIBLDSIHHJSME-XVJNWHFHSA-N	0	1	334.339	3.106	50	5		EGBAMN
Cc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccccc1	ZINC000004577134	210224273	/nfs/dbraw/zinc/22/42/73/210224273.db2.gz	ZCWHGYXVBWBFEP-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000004756021	452817467	/nfs/dbraw/zinc/81/74/67/452817467.db2.gz	FJNRVJZACXZYKF-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
Cc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCC2)o1	ZINC000069391133	454100697	/nfs/dbraw/zinc/10/06/97/454100697.db2.gz	SKTGEIWRNOOSBG-INIZCTEOSA-N	0	1	343.383	3.063	50	5		EGBAMN
O=Cc1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1	ZINC000005999681	452915267	/nfs/dbraw/zinc/91/52/67/452915267.db2.gz	FWPPRCNSRRVXOO-UHFFFAOYSA-N	0	1	326.337	3.344	50	5		EGBAMN
COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C	ZINC000055543848	132195917	/nfs/dbraw/zinc/19/59/17/132195917.db2.gz	BPSHCIGKQRWYSH-UHFFFAOYSA-N	0	1	341.411	3.234	50	5		EGBAMN
Cc1cccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000000351162	452568741	/nfs/dbraw/zinc/56/87/41/452568741.db2.gz	QJZMKUDXGXQSKE-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000342787	452565973	/nfs/dbraw/zinc/56/59/73/452565973.db2.gz	USYCZQRNASAGEN-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
CSc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	ZINC000004086634	452792509	/nfs/dbraw/zinc/79/25/09/452792509.db2.gz	CBWFWVPTLCUSHX-UHFFFAOYSA-N	0	1	330.778	3.074	50	5		EGBAMN
CCOc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)NCC2	ZINC000020506819	202046268	/nfs/dbraw/zinc/04/62/68/202046268.db2.gz	SMCRTHWPOSSCKG-GOSISDBHSA-N	0	1	328.368	3.237	50	5		EGBAMN
COc1cc(CN2CCCC[C@@H]2c2cccnc2)cc([N+](=O)[O-])c1O	ZINC000022022983	202077370	/nfs/dbraw/zinc/07/73/70/202077370.db2.gz	GDEGTDIPZDPPNG-OAHLLOKOSA-N	0	1	343.383	3.431	50	5		EGBAMN
CCSc1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	ZINC000002737784	452719311	/nfs/dbraw/zinc/71/93/11/452719311.db2.gz	XTZVNIZSMACGEK-UHFFFAOYSA-N	0	1	344.805	3.464	50	5		EGBAMN
N=C1Nc2nc3ccccc3n2[C@@H](C=Cc2cccc([N+](=O)[O-])c2)N1	ZINC000575442901	548086967	/nfs/dbraw/zinc/08/69/67/548086967.db2.gz	RRIBLDSIHHJSME-HVHJFMEUSA-N	0	1	334.339	3.106	50	5		EGBAMN
Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000003876599	210081382	/nfs/dbraw/zinc/08/13/82/210081382.db2.gz	BNXVEFCVHUGCIB-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000000300492	209524281	/nfs/dbraw/zinc/52/42/81/209524281.db2.gz	VBWYYHYBEASJDO-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
Cc1c([N+](=O)[O-])cc(C(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000001309220	452653646	/nfs/dbraw/zinc/65/36/46/452653646.db2.gz	WYUICDYSHXLKKP-UHFFFAOYSA-N	0	1	348.155	3.124	50	5		EGBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1	ZINC000000074714	452501144	/nfs/dbraw/zinc/50/11/44/452501144.db2.gz	JMXFZFBNDCPIRV-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1	ZINC000100848908	219108643	/nfs/dbraw/zinc/10/86/43/219108643.db2.gz	LIYNJQCDMODWAP-MRXNPFEDSA-N	0	1	341.342	3.434	50	5		EGBAMN
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c2ncccc12	ZINC000056918737	132198283	/nfs/dbraw/zinc/19/82/83/132198283.db2.gz	ILPJQNPNRKFPRX-UHFFFAOYSA-N	0	1	348.406	3.465	50	5		EGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1	ZINC000005344655	452860622	/nfs/dbraw/zinc/86/06/22/452860622.db2.gz	SNXJPYGRLUNCAS-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-]	ZINC000010329568	211163898	/nfs/dbraw/zinc/16/38/98/211163898.db2.gz	UOGOXJHMIZBSEA-QGZVFWFLSA-N	0	1	345.374	3.075	50	5		EGBAMN
COc1ccc2nc(Sc3ccc(C=O)cc3[N+](=O)[O-])[nH]c2c1	ZINC000009187524	211050210	/nfs/dbraw/zinc/05/02/10/211050210.db2.gz	XUPOCCUKUOWZCR-UHFFFAOYSA-N	0	1	329.337	3.443	50	5		EGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000000168327	452525115	/nfs/dbraw/zinc/52/51/15/452525115.db2.gz	KCDRKUYDDXPNQT-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
O=C(CNCc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000052537592	214133010	/nfs/dbraw/zinc/13/30/10/214133010.db2.gz	ZBEOWQKXSNABAO-UHFFFAOYSA-N	0	1	337.738	3.116	50	5		EGBAMN
Cc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003833667	210078919	/nfs/dbraw/zinc/07/89/19/210078919.db2.gz	RNILVZUJVGYJJZ-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
Cc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCC2)o1	ZINC000069391131	215398608	/nfs/dbraw/zinc/39/86/08/215398608.db2.gz	SKTGEIWRNOOSBG-MRXNPFEDSA-N	0	1	343.383	3.063	50	5		EGBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1Br	ZINC000004833621	210292356	/nfs/dbraw/zinc/29/23/56/210292356.db2.gz	CVHMAHMOQWBOGT-UHFFFAOYSA-N	0	1	337.129	3.315	50	5		EGBAMN
O=C(Nc1cc(Cl)ccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004745728	210268903	/nfs/dbraw/zinc/26/89/03/210268903.db2.gz	PJPWSMZCLJNLNH-UHFFFAOYSA-N	0	1	337.675	3.114	50	5		EGBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1F	ZINC000000461242	452598324	/nfs/dbraw/zinc/59/83/24/452598324.db2.gz	VTSHZOFDPJZHCI-UHFFFAOYSA-N	0	1	330.724	3.188	50	5		EGBAMN
Cc1cccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000000121063	452513892	/nfs/dbraw/zinc/51/38/92/452513892.db2.gz	FRTKZIWMXSDEOR-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
Cc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000000285274	452553929	/nfs/dbraw/zinc/55/39/29/452553929.db2.gz	VRKMESPZHKEPLQ-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
O=C(CSc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000004894850	210314202	/nfs/dbraw/zinc/31/42/02/210314202.db2.gz	POWLTCZYCNKYRN-UHFFFAOYSA-N	0	1	340.364	3.355	50	5		EGBAMN
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000005999679	452915533	/nfs/dbraw/zinc/91/55/33/452915533.db2.gz	GIGWIFDSTAIOKX-UHFFFAOYSA-N	0	1	326.337	3.344	50	5		EGBAMN
Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cccc1[N+](=O)[O-]	ZINC000010329551	280215045	/nfs/dbraw/zinc/21/50/45/280215045.db2.gz	UTIPKWJGNLNBDS-KRWDZBQOSA-N	0	1	345.374	3.075	50	5		EGBAMN
Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000003833668	210077944	/nfs/dbraw/zinc/07/79/44/210077944.db2.gz	MNYAXJNMERPEGU-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Br)cc1	ZINC000009190515	211050761	/nfs/dbraw/zinc/05/07/61/211050761.db2.gz	MEAGKTOFUJTBPK-UHFFFAOYSA-N	0	1	337.129	3.315	50	5		EGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1	ZINC000000209691	452536694	/nfs/dbraw/zinc/53/66/94/452536694.db2.gz	DZTNUTAKNMMPJI-UHFFFAOYSA-N	0	1	332.381	3.274	50	5		EGBAMN
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(Cc2ccccc2)CC1	ZINC000004988817	210351136	/nfs/dbraw/zinc/35/11/36/210351136.db2.gz	DIOKNSHDRPZBKK-UXBLZVDNSA-N	0	1	337.423	3.426	50	5		EGBAMN
COc1ccc(C)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000000583269	452629957	/nfs/dbraw/zinc/62/99/57/452629957.db2.gz	IONRBLXCPZWHJE-UHFFFAOYSA-N	0	1	336.369	3.021	50	5		EGBAMN
CN1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	ZINC000004687384	452813317	/nfs/dbraw/zinc/81/33/17/452813317.db2.gz	DVVLFHJJRRSZPW-UHFFFAOYSA-N	0	1	340.427	3.001	50	5		EGBAMN
Cc1ccccc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000285273	452554051	/nfs/dbraw/zinc/55/40/51/452554051.db2.gz	WGPDTSIPHAMUKM-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
COC(=O)c1sc2ccccc2c1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000004176820	210139652	/nfs/dbraw/zinc/13/96/52/210139652.db2.gz	SEAVXOJJPYWASY-UHFFFAOYSA-N	0	1	346.320	3.441	50	5		EGBAMN
Cc1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004071518	210113035	/nfs/dbraw/zinc/11/30/35/210113035.db2.gz	YZJPDYYHISAUFR-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
Cc1ccccc1CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000004170497	210138677	/nfs/dbraw/zinc/13/86/77/210138677.db2.gz	BSTQATVFOQBPGD-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000000304329	452558777	/nfs/dbraw/zinc/55/87/77/452558777.db2.gz	WMHZLILREYNCCX-UHFFFAOYSA-N	0	1	330.724	3.188	50	5		EGBAMN
O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc([N+](=O)[O-])s1	ZINC000004275959	452797417	/nfs/dbraw/zinc/79/74/17/452797417.db2.gz	WOPQHQNBRPFBLW-UHFFFAOYSA-N	0	1	334.288	3.098	50	5		EGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000003069526	452741281	/nfs/dbraw/zinc/74/12/81/452741281.db2.gz	RTVHCUSSDGMZKG-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
Cc1cccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]n2)c1O	ZINC000008994106	453239188	/nfs/dbraw/zinc/23/91/88/453239188.db2.gz	ZSHHSTPHANMCCY-UHFFFAOYSA-N	0	1	338.323	3.251	50	5		EGBAMN
COc1ccc2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(=O)oc2c1	ZINC000020615294	274141293	/nfs/dbraw/zinc/14/12/93/274141293.db2.gz	MFPUELBBTUERCN-UHFFFAOYSA-N	0	1	337.291	3.253	50	5		EGBAMN
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000209647	452537050	/nfs/dbraw/zinc/53/70/50/452537050.db2.gz	MLWDGRHIQXJCJT-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
CCOc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004289714	452799677	/nfs/dbraw/zinc/79/96/77/452799677.db2.gz	NUOMFQVZKMSWMI-UHFFFAOYSA-N	0	1	336.369	3.103	50	5		EGBAMN
Cc1cc(C)n(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1	ZINC000005336945	452861630	/nfs/dbraw/zinc/86/16/30/452861630.db2.gz	SMARPBJDDCPNKN-UHFFFAOYSA-N	0	1	331.375	3.308	50	5		EGBAMN
Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cccc1[N+](=O)[O-]	ZINC000010329553	453285217	/nfs/dbraw/zinc/28/52/17/453285217.db2.gz	UTIPKWJGNLNBDS-QGZVFWFLSA-N	0	1	345.374	3.075	50	5		EGBAMN
Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-]	ZINC000010329566	211164513	/nfs/dbraw/zinc/16/45/13/211164513.db2.gz	UOGOXJHMIZBSEA-KRWDZBQOSA-N	0	1	345.374	3.075	50	5		EGBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1	ZINC000004834286	210291577	/nfs/dbraw/zinc/29/15/77/210291577.db2.gz	TUYFOSZPQQWKDJ-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
CCOc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)NCC2	ZINC000020506818	212141060	/nfs/dbraw/zinc/14/10/60/212141060.db2.gz	SMCRTHWPOSSCKG-SFHVURJKSA-N	0	1	328.368	3.237	50	5		EGBAMN
Cc1cccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]n2)c1O	ZINC000008972981	211024617	/nfs/dbraw/zinc/02/46/17/211024617.db2.gz	YVXMYWIDBUZQQZ-UHFFFAOYSA-N	0	1	338.323	3.251	50	5		EGBAMN
COc1cc(CN2CCCC[C@H]2c2cccnc2)cc([N+](=O)[O-])c1O	ZINC000022022984	212271631	/nfs/dbraw/zinc/27/16/31/212271631.db2.gz	GDEGTDIPZDPPNG-HNNXBMFYSA-N	0	1	343.383	3.431	50	5		EGBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O	ZINC000004014142	210099750	/nfs/dbraw/zinc/09/97/50/210099750.db2.gz	MGFBVPMCHNAYJG-UHFFFAOYSA-N	0	1	337.129	3.315	50	5		EGBAMN
O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n[nH]2)o1	ZINC000104177641	219355554	/nfs/dbraw/zinc/35/55/54/219355554.db2.gz	FUBLXIQOHJVRKN-UHFFFAOYSA-N	0	1	345.227	3.061	50	5		EGBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000004353976	210177571	/nfs/dbraw/zinc/17/75/71/210177571.db2.gz	DUAIUZITXRCFKO-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
CC(C)(C)OC(=O)NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000039177189	213231296	/nfs/dbraw/zinc/23/12/96/213231296.db2.gz	DVMHCFBGNOEPLX-UHFFFAOYSA-N	0	1	335.404	3.084	50	5		EGBAMN
COc1cc2c(cc1OC)[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)CC2	ZINC000002172581	258049497	/nfs/dbraw/zinc/04/94/97/258049497.db2.gz	XEZXULDMQFMWKQ-QGZVFWFLSA-N	0	1	342.395	3.384	50	5		EGBAMN
CCc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000004170372	210138000	/nfs/dbraw/zinc/13/80/00/210138000.db2.gz	AUIIIQSXZWTVAK-UHFFFAOYSA-N	0	1	339.439	3.475	50	5		EGBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1	ZINC000003832659	275037380	/nfs/dbraw/zinc/03/73/80/275037380.db2.gz	JIHBEEHTSKTWES-UHFFFAOYSA-N	0	1	346.286	3.414	50	5		EGBAMN
CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1/C=C(\C)N1CCCC1	ZINC000051353963	214089788	/nfs/dbraw/zinc/08/97/88/214089788.db2.gz	VRYNCHOYSHZQQB-VAWYXSNFSA-N	0	1	345.428	3.489	50	5		EGBAMN
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1	ZINC000100848906	219108476	/nfs/dbraw/zinc/10/84/76/219108476.db2.gz	LIYNJQCDMODWAP-INIZCTEOSA-N	0	1	341.342	3.434	50	5		EGBAMN
O=[N+]([O-])c1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1	ZINC000055543444	132195584	/nfs/dbraw/zinc/19/55/84/132195584.db2.gz	QEOATOUNLDHSQK-UHFFFAOYSA-N	0	1	336.395	3.398	50	5		EGBAMN
O=[N+]([O-])c1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000104219511	275039591	/nfs/dbraw/zinc/03/95/91/275039591.db2.gz	QYIFJMJFFSIGIN-UHFFFAOYSA-N	0	1	349.215	3.063	50	5		EGBAMN
CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000000345531	452568516	/nfs/dbraw/zinc/56/85/16/452568516.db2.gz	FAGJKGNKGYRPGE-UHFFFAOYSA-N	0	1	336.369	3.103	50	5		EGBAMN
COc1ccc(C)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000004809456	210281059	/nfs/dbraw/zinc/28/10/59/210281059.db2.gz	DBZMGOCMWACEFS-UHFFFAOYSA-N	0	1	336.369	3.021	50	5		EGBAMN
CCc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000055543472	536176363	/nfs/dbraw/zinc/17/63/63/536176363.db2.gz	JRAODWCOMXEVKF-UHFFFAOYSA-N	0	1	325.412	3.479	50	5		EGBAMN
CCc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000000178605	452528611	/nfs/dbraw/zinc/52/86/11/452528611.db2.gz	LYTSMILCFSSBGK-UHFFFAOYSA-N	0	1	339.439	3.475	50	5		EGBAMN
Cc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000000351214	452568813	/nfs/dbraw/zinc/56/88/13/452568813.db2.gz	AXMLGCOEGOYMAR-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
COc1cc(CNc2ccc3c[nH]nc3c2)c([N+](=O)[O-])cc1OC	ZINC000023282890	1291233427	/nfs/dbraw/zinc/23/34/27/1291233427.db2.gz	UQGIBMSGFFNCRU-UHFFFAOYSA-N	0	1	328.328	3.100	50	5		EGBAMN
CSc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005041961	210372995	/nfs/dbraw/zinc/37/29/95/210372995.db2.gz	RFYYPLTVRPBXMT-UHFFFAOYSA-N	0	1	338.410	3.426	50	5		EGBAMN
Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004760461	210271824	/nfs/dbraw/zinc/27/18/24/210271824.db2.gz	GSBIHTCRABAFNX-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
COc1cc2c(cc1OC)[C@H](Cc1ccccc1[N+](=O)[O-])N(C)CC2	ZINC000002172585	258049554	/nfs/dbraw/zinc/04/95/54/258049554.db2.gz	XEZXULDMQFMWKQ-KRWDZBQOSA-N	0	1	342.395	3.384	50	5		EGBAMN
Cc1cccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000000351174	452568694	/nfs/dbraw/zinc/56/86/94/452568694.db2.gz	AIZNCYQISULHBX-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN
COc1cc(CN(C)CCc2ccccc2)c([N+](=O)[O-])cc1OC	ZINC000019632782	212052363	/nfs/dbraw/zinc/05/23/63/212052363.db2.gz	RHKOYSBGTMNUJW-UHFFFAOYSA-N	0	1	330.384	3.287	50	5		EGBAMN
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000272816	452551924	/nfs/dbraw/zinc/55/19/24/452551924.db2.gz	RTYMATKFKZYLGM-UHFFFAOYSA-N	0	1	326.761	3.357	50	5		EGBAMN
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000000318690	452564180	/nfs/dbraw/zinc/56/41/80/452564180.db2.gz	VEBRQRISZVLSPO-UHFFFAOYSA-N	0	1	342.760	3.058	50	5		EGBAMN
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000004785542	210279401	/nfs/dbraw/zinc/27/94/01/210279401.db2.gz	RLVBCDHVDITPBR-UHFFFAOYSA-N	0	1	342.760	3.058	50	5		EGBAMN
O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000027741629	453820129	/nfs/dbraw/zinc/82/01/29/453820129.db2.gz	VUQANMCIRLFCDK-HNNXBMFYSA-N	0	1	345.424	3.223	50	5		EGBAMN
O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000027741620	453820248	/nfs/dbraw/zinc/82/02/48/453820248.db2.gz	VUQANMCIRLFCDK-OAHLLOKOSA-N	0	1	345.424	3.223	50	5		EGBAMN
O=[N+]([O-])c1ccc(-c2n[nH]c(-c3cncc(Br)c3)n2)cc1	ZINC000026463305	275034715	/nfs/dbraw/zinc/03/47/15/275034715.db2.gz	KSIMZASFSLNBHA-UHFFFAOYSA-N	0	1	346.144	3.204	50	5		EGBAMN
Cc1ccccc1CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000351212	452568778	/nfs/dbraw/zinc/56/87/78/452568778.db2.gz	OCWABPSVVVDUEQ-UHFFFAOYSA-N	0	1	325.412	3.221	50	5		EGBAMN