smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]2CCCO[C@H]12	ZINC001164656694	719302139	/nfs/dbraw/zinc/30/21/39/719302139.db2.gz	XYKJLEXWYQXDLF-PEYYIBSZSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]2CCCO[C@H]21	ZINC001164647947	719303037	/nfs/dbraw/zinc/30/30/37/719303037.db2.gz	FKRGUCWLZXTAJW-DJSGYFEHSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]2CCCO[C@@H]12	ZINC001164647951	719303298	/nfs/dbraw/zinc/30/32/98/719303298.db2.gz	FKRGUCWLZXTAJW-SGIREYDYSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2)N1CC=CC1	ZINC001164678085	719555894	/nfs/dbraw/zinc/55/58/94/719555894.db2.gz	VKVXNBYITODXLP-CQSZACIVSA-N	0	0	442.850	2.820	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC001164705633	719852350	/nfs/dbraw/zinc/85/23/50/719852350.db2.gz	VBHUWQAAVXJCFA-APPDUMDISA-N	0	0	433.292	2.529	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	ZINC001164707965	719877780	/nfs/dbraw/zinc/87/77/80/719877780.db2.gz	WVMJAFMJJDLLCG-WZONZLPQSA-N	0	0	440.500	2.890	20	5		IFBDRN
O=C([C@H]1Cn2nccc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164818241	720262488	/nfs/dbraw/zinc/26/24/88/720262488.db2.gz	XLOKMHUFFCCPSH-GFCCVEGCSA-N	0	0	440.838	2.643	20	5		IFBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4nc(C)cc(C)c4[N+](=O)[O-])CC3)C2=O)cs1	ZINC001164820085	720372367	/nfs/dbraw/zinc/37/23/67/720372367.db2.gz	KZMISMKDRYMFPJ-UHFFFAOYSA-N	0	0	444.561	2.685	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21	ZINC001164828060	720416031	/nfs/dbraw/zinc/41/60/31/720416031.db2.gz	VYJOXNWEQZXSBN-BZPMIXESSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2N1c1cccc(F)c1	ZINC001164881258	721361863	/nfs/dbraw/zinc/36/18/63/721361863.db2.gz	APJVYXRWOFEKQQ-LSDHHAIUSA-N	0	0	442.781	2.948	20	5		IFBDRN
Cn1cc(N2C[C@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)CC2=O)cn1	ZINC001164888765	721370484	/nfs/dbraw/zinc/37/04/84/721370484.db2.gz	WRHAWMVYQIJRGS-MRXNPFEDSA-N	0	0	426.811	2.555	20	5		IFBDRN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164788466	721393859	/nfs/dbraw/zinc/39/38/59/721393859.db2.gz	SBYPAEBHEYSNGF-TXEJJXNPSA-N	0	0	437.909	2.845	20	5		IFBDRN
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]12)N1CCCO1	ZINC001164793513	721480262	/nfs/dbraw/zinc/48/02/62/721480262.db2.gz	WNVBNYNCPWOSLO-IPYPFGDCSA-N	0	0	446.838	2.583	20	5		IFBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164806602	721541807	/nfs/dbraw/zinc/54/18/07/721541807.db2.gz	PBBSCCVEKIFTIH-GZBFAFLISA-N	0	0	439.303	2.955	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)cnc1Cl	ZINC001164798993	721606929	/nfs/dbraw/zinc/60/69/29/721606929.db2.gz	AMXOPLDTKZDSTO-PBHICJAKSA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c2c1	ZINC001164916684	721791721	/nfs/dbraw/zinc/79/17/21/721791721.db2.gz	SJYALYBBLLAMBW-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ncc(Cl)cc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164919783	721823172	/nfs/dbraw/zinc/82/31/72/721823172.db2.gz	WBQHVABAEGQFOL-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1	ZINC001165030970	721845094	/nfs/dbraw/zinc/84/50/94/721845094.db2.gz	NFMSFECFQQSDFL-UHFFFAOYSA-N	0	0	444.488	2.894	20	5		IFBDRN
Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC3)n1	ZINC001164933756	721904186	/nfs/dbraw/zinc/90/41/86/721904186.db2.gz	PPBXBPUIEMEWIT-UHFFFAOYSA-N	0	0	441.319	2.902	20	5		IFBDRN
Cn1ccc(CN2CCOCC23CCN(c2ccc(-c4ccc([N+](=O)[O-])cc4)nn2)CC3)n1	ZINC001164936618	721907873	/nfs/dbraw/zinc/90/78/73/721907873.db2.gz	RXUXDIPIZUGQCO-UHFFFAOYSA-N	0	0	449.515	2.657	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21	ZINC001164943957	721940680	/nfs/dbraw/zinc/94/06/80/721940680.db2.gz	QBRUEAHSUQMXGK-HUUCEWRRSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21	ZINC001164943955	721940899	/nfs/dbraw/zinc/94/08/99/721940899.db2.gz	QBRUEAHSUQMXGK-GJZGRUSLSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164940602	721944255	/nfs/dbraw/zinc/94/42/55/721944255.db2.gz	BYWRFFWBHGHJCM-ZIAGYGMSSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21	ZINC001164950961	721959497	/nfs/dbraw/zinc/95/94/97/721959497.db2.gz	YMXLTCPNFBEPJU-SFTDATJTSA-N	0	0	436.472	2.746	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@@H]21	ZINC001164950958	721959704	/nfs/dbraw/zinc/95/97/04/721959704.db2.gz	YMXLTCPNFBEPJU-LEWJYISDSA-N	0	0	436.472	2.746	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21	ZINC001164948214	721963818	/nfs/dbraw/zinc/96/38/18/721963818.db2.gz	SLVRXJLRLLZZLD-QZTJIDSGSA-N	0	0	444.879	2.886	20	5		IFBDRN
Cc1cc(Cl)nc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)c1[N+](=O)[O-]	ZINC001164944144	721971944	/nfs/dbraw/zinc/97/19/44/721971944.db2.gz	HBIVTXMHDMIHKL-UHFFFAOYSA-N	0	0	429.908	2.923	20	5		IFBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164944488	721973348	/nfs/dbraw/zinc/97/33/48/721973348.db2.gz	JGMFSDCMXCOXMM-UHFFFAOYSA-N	0	0	432.484	2.509	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]1Cc1cnn(C)c1	ZINC001164998000	722223130	/nfs/dbraw/zinc/22/31/30/722223130.db2.gz	GAEYPPSDVYMHQW-HUUCEWRRSA-N	0	0	445.854	2.775	20	5		IFBDRN
CC(C)Oc1nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ccc1[N+](=O)[O-]	ZINC001165006568	722269216	/nfs/dbraw/zinc/26/92/16/722269216.db2.gz	OHMZIZFVYWTFIW-JOCHJYFZSA-N	0	0	443.479	2.844	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]2CCCO[C@@H]12	ZINC001164656695	719302209	/nfs/dbraw/zinc/30/22/09/719302209.db2.gz	XYKJLEXWYQXDLF-SGIREYDYSA-N	0	0	430.839	2.794	20	5		IFBDRN
CN1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]21	ZINC001164670698	719489208	/nfs/dbraw/zinc/48/92/08/719489208.db2.gz	XYLTZYNQXOISTJ-HZPDHXFCSA-N	0	0	425.823	2.769	20	5		IFBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1	ZINC001164707343	719910223	/nfs/dbraw/zinc/91/02/23/719910223.db2.gz	PUNKQATXJRGIDE-UHFFFAOYSA-N	0	0	432.502	2.709	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164882752	721341244	/nfs/dbraw/zinc/34/12/44/721341244.db2.gz	HTRJFOYITSDHEA-RHSMWYFYSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2N1c1cccc(F)c1	ZINC001164881257	721361997	/nfs/dbraw/zinc/36/19/97/721361997.db2.gz	APJVYXRWOFEKQQ-HUUCEWRRSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)NCC1CC1	ZINC001164897760	721481724	/nfs/dbraw/zinc/48/17/24/721481724.db2.gz	UIHXSBWBJHCCIT-SJCJKPOMSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=C(C[C@@]12COC[C@@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)NCC1CC1	ZINC001164897769	721481777	/nfs/dbraw/zinc/48/17/77/721481777.db2.gz	UIHXSBWBJHCCIT-YVEFUNNKSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1	ZINC001164905685	721579722	/nfs/dbraw/zinc/57/97/22/721579722.db2.gz	VAWYQHQXTMATHS-KRWDZBQOSA-N	0	0	440.838	2.854	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1Cl	ZINC001164805315	721607282	/nfs/dbraw/zinc/60/72/82/721607282.db2.gz	NQHVZOPZVPYYPJ-GUYCJALGSA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1cccc2nc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)ccc21	ZINC001164915618	721780881	/nfs/dbraw/zinc/78/08/81/721780881.db2.gz	LZFDITVKKVHSSP-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CC1)c1ncc(C)n1CCN2C	ZINC001164919153	721813030	/nfs/dbraw/zinc/81/30/30/721813030.db2.gz	VWMHRDAJFJFUKR-UHFFFAOYSA-N	0	0	448.911	2.766	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4nccc(Cl)c4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164919173	721823069	/nfs/dbraw/zinc/82/30/69/721823069.db2.gz	NUUQOJDPNXICGV-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
COc1cc(OC)nc(CN2CCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC2)n1	ZINC001165030846	721848661	/nfs/dbraw/zinc/84/86/61/721848661.db2.gz	WJKYMASJEUUURI-UHFFFAOYSA-N	0	0	444.879	2.926	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001164942407	721936010	/nfs/dbraw/zinc/93/60/10/721936010.db2.gz	LYOMDJKZZXAYST-HOTGVXAUSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@H]21	ZINC001164948000	721963748	/nfs/dbraw/zinc/96/37/48/721963748.db2.gz	SLVRXJLRLLZZLD-MSOLQXFVSA-N	0	0	444.879	2.886	20	5		IFBDRN
Cc1cc([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc1Cl	ZINC001164944121	721972262	/nfs/dbraw/zinc/97/22/62/721972262.db2.gz	GQWDZPWWMRAMDP-UHFFFAOYSA-N	0	0	429.908	2.923	20	5		IFBDRN
CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1	ZINC001164952781	722008365	/nfs/dbraw/zinc/00/83/65/722008365.db2.gz	BHZOBUANYVIISK-BZNIZROVSA-N	0	0	433.843	2.587	20	5		IFBDRN
CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1	ZINC001164954910	722008750	/nfs/dbraw/zinc/00/87/50/722008750.db2.gz	QZAAPQVYPPVABU-BZNIZROVSA-N	0	0	433.843	2.587	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]1Cc1cnn(C)c1	ZINC001164998001	722223000	/nfs/dbraw/zinc/22/30/00/722223000.db2.gz	GAEYPPSDVYMHQW-LSDHHAIUSA-N	0	0	445.854	2.775	20	5		IFBDRN
Cc1cc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164996601	722231531	/nfs/dbraw/zinc/23/15/31/722231531.db2.gz	KPSRMRHJGMWTDC-UHFFFAOYSA-N	0	0	433.516	2.598	20	5		IFBDRN
CC(C)Oc1nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ccc1[N+](=O)[O-]	ZINC001165006569	722269043	/nfs/dbraw/zinc/26/90/43/722269043.db2.gz	OHMZIZFVYWTFIW-QFIPXVFZSA-N	0	0	443.479	2.844	20	5		IFBDRN
COCCN1CCN(C)C2(CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1=O	ZINC001164644306	719280202	/nfs/dbraw/zinc/28/02/02/719280202.db2.gz	HPOMPFSFHRHKGF-UHFFFAOYSA-N	0	0	447.923	2.556	20	5		IFBDRN
CN1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]21	ZINC001164670702	719488677	/nfs/dbraw/zinc/48/86/77/719488677.db2.gz	XYLTZYNQXOISTJ-JKSUJKDBSA-N	0	0	425.823	2.769	20	5		IFBDRN
CN1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@@H]21	ZINC001164670695	719488981	/nfs/dbraw/zinc/48/89/81/719488981.db2.gz	XYLTZYNQXOISTJ-HOTGVXAUSA-N	0	0	425.823	2.769	20	5		IFBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1	ZINC001164673881	719496481	/nfs/dbraw/zinc/49/64/81/719496481.db2.gz	TVZHIUDZQZGKEI-UHFFFAOYSA-N	0	0	444.463	2.787	20	5		IFBDRN
COC(=O)c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC001164673148	719502600	/nfs/dbraw/zinc/50/26/00/719502600.db2.gz	OHVDCINADOWQNT-UHFFFAOYSA-N	0	0	444.463	2.787	20	5		IFBDRN
O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164677571	719536272	/nfs/dbraw/zinc/53/62/72/719536272.db2.gz	FXTKHURWQJCLPD-DYEKYZERSA-N	0	0	430.839	2.794	20	5		IFBDRN
COc1cc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778221	721346105	/nfs/dbraw/zinc/34/61/05/721346105.db2.gz	LHTVZPMUYLFGGP-OAQYLSRUSA-N	0	0	431.493	2.722	20	5		IFBDRN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1	ZINC001164788468	721394098	/nfs/dbraw/zinc/39/40/98/721394098.db2.gz	SBYPAEBHEYSNGF-VXGBXAGGSA-N	0	0	437.909	2.845	20	5		IFBDRN
O=C(C[C@@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)NCC1CC1	ZINC001164893381	721480323	/nfs/dbraw/zinc/48/03/23/721480323.db2.gz	CLPHOGVSRATZCA-SUMWQHHRSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)NCC1CC1	ZINC001164894854	721481061	/nfs/dbraw/zinc/48/10/61/721481061.db2.gz	JRKUDAXOCCJQSP-SJCJKPOMSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)c1	ZINC001164803788	721607409	/nfs/dbraw/zinc/60/74/09/721607409.db2.gz	KKYIFWOSRTVTII-PBHICJAKSA-N	0	0	443.838	2.839	20	5		IFBDRN
COC(=O)c1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1	ZINC001164908399	721750558	/nfs/dbraw/zinc/75/05/58/721750558.db2.gz	HSTKATAGANVBLO-UHFFFAOYSA-N	0	0	437.456	2.959	20	5		IFBDRN
O=[N+]([O-])c1ccc2ccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)nc2c1	ZINC001164912643	721777794	/nfs/dbraw/zinc/77/77/94/721777794.db2.gz	NSYQOCANFNCIQB-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
O=[N+]([O-])c1cccc2nc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)ccc21	ZINC001164915617	721781099	/nfs/dbraw/zinc/78/10/99/721781099.db2.gz	LZFDITVKKVHSSP-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC001164942757	721941161	/nfs/dbraw/zinc/94/11/61/721941161.db2.gz	MVEODRVCPXNTLP-ROUUACIJSA-N	0	0	444.879	2.886	20	5		IFBDRN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1	ZINC001164946845	721972462	/nfs/dbraw/zinc/97/24/62/721972462.db2.gz	XGXGOWYCDLAUKD-UHFFFAOYSA-N	0	0	429.908	2.923	20	5		IFBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164945913	721973267	/nfs/dbraw/zinc/97/32/67/721973267.db2.gz	UPVURDKBZKYQGI-UHFFFAOYSA-N	0	0	432.484	2.509	20	5		IFBDRN
CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1	ZINC001164954909	722008739	/nfs/dbraw/zinc/00/87/39/722008739.db2.gz	QZAAPQVYPPVABU-BDJLRTHQSA-N	0	0	433.843	2.587	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]1Cc1cnn(C)c1	ZINC001164997358	722223473	/nfs/dbraw/zinc/22/34/73/722223473.db2.gz	CKFZRWBHGYJUPW-JKSUJKDBSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001165005364	722261142	/nfs/dbraw/zinc/26/11/42/722261142.db2.gz	WFLWXLMBYOIBPJ-JOCHJYFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]2CCCO[C@@H]21	ZINC001164654695	719303291	/nfs/dbraw/zinc/30/32/91/719303291.db2.gz	RMXNXYDUKFBGHI-KFNAQCHYSA-N	0	0	430.839	2.794	20	5		IFBDRN
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1	ZINC001164673859	719508888	/nfs/dbraw/zinc/50/88/88/719508888.db2.gz	SJSXWADACLPYQR-UHFFFAOYSA-N	0	0	431.468	2.712	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC001164704599	719847158	/nfs/dbraw/zinc/84/71/58/719847158.db2.gz	RYIIXMRPRQZFIF-PIGZYNQJSA-N	0	0	433.292	2.529	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	ZINC001164707962	719877847	/nfs/dbraw/zinc/87/78/47/719877847.db2.gz	WVMJAFMJJDLLCG-FDDCHVKYSA-N	0	0	440.500	2.890	20	5		IFBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2	ZINC001164695692	719887696	/nfs/dbraw/zinc/88/76/96/719887696.db2.gz	RDZXJFCGZLOPHE-UHFFFAOYSA-N	0	0	432.502	2.709	20	5		IFBDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])c(C)c4C)CC3)C2=O)cs1	ZINC001164820369	720373183	/nfs/dbraw/zinc/37/31/83/720373183.db2.gz	OZMGPBOYTDSYKO-UHFFFAOYSA-N	0	0	444.561	2.685	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164885897	721340081	/nfs/dbraw/zinc/34/00/81/721340081.db2.gz	QPRUEASSJOJQNI-RHSMWYFYSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164882754	721341348	/nfs/dbraw/zinc/34/13/48/721341348.db2.gz	HTRJFOYITSDHEA-YOEHRIQHSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2N1c1cccc(F)c1	ZINC001164885795	721363042	/nfs/dbraw/zinc/36/30/42/721363042.db2.gz	ZKQHKYWFNVTEQS-UONOGXRCSA-N	0	0	442.781	2.948	20	5		IFBDRN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164788463	721394418	/nfs/dbraw/zinc/39/44/18/721394418.db2.gz	SBYPAEBHEYSNGF-RYUDHWBXSA-N	0	0	437.909	2.845	20	5		IFBDRN
O=C(C[C@]12COC[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)NCC1CC1	ZINC001164897756	721481760	/nfs/dbraw/zinc/48/17/60/721481760.db2.gz	UIHXSBWBJHCCIT-PXAZEXFGSA-N	0	0	430.839	2.557	20	5		IFBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCn3c(CN(C)C(C)C)nnc3C2)n1	ZINC001165008468	721696527	/nfs/dbraw/zinc/69/65/27/721696527.db2.gz	JUTJDOCGXFLQBU-UHFFFAOYSA-N	0	0	426.934	2.602	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4cc([N+](=O)[O-])cc(Cl)n4)CCO3)C2)cs1	ZINC001164919777	721823218	/nfs/dbraw/zinc/82/32/18/721823218.db2.gz	VWXMMUSQLCORQJ-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
COc1cc(OC)nc(CN2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)n1	ZINC001165029144	721850176	/nfs/dbraw/zinc/85/01/76/721850176.db2.gz	GAEQDAHQVPCMTJ-UHFFFAOYSA-N	0	0	444.879	2.926	20	5		IFBDRN
COCCN1CCN(C)C2(CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)C1=O	ZINC001164644255	719285080	/nfs/dbraw/zinc/28/50/80/719285080.db2.gz	FTEAYAUNSSVOIM-UHFFFAOYSA-N	0	0	447.923	2.556	20	5		IFBDRN
O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164677573	719536445	/nfs/dbraw/zinc/53/64/45/719536445.db2.gz	FXTKHURWQJCLPD-YRGRVCCFSA-N	0	0	430.839	2.794	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001164828064	720415975	/nfs/dbraw/zinc/41/59/75/720415975.db2.gz	VYJOXNWEQZXSBN-YRGRVCCFSA-N	0	0	432.855	2.802	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21	ZINC001164823658	720418166	/nfs/dbraw/zinc/41/81/66/720418166.db2.gz	IQSRQJCPJCLGIV-MBNYWOFBSA-N	0	0	432.855	2.802	20	5		IFBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779676	721343159	/nfs/dbraw/zinc/34/31/59/721343159.db2.gz	UVFIFFIJBMQEAD-FQEVSTJZSA-N	0	0	446.464	2.622	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2N1c1cccc(F)c1	ZINC001164881537	721363705	/nfs/dbraw/zinc/36/37/05/721363705.db2.gz	DNMBCYNFFOWNMN-CABCVRRESA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2N1c1cccc(F)c1	ZINC001164881538	721363808	/nfs/dbraw/zinc/36/38/08/721363808.db2.gz	DNMBCYNFFOWNMN-GJZGRUSLSA-N	0	0	442.781	2.948	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164887470	721375345	/nfs/dbraw/zinc/37/53/45/721375345.db2.gz	RYBUCOSDBUKSSE-HNNXBMFYSA-N	0	0	438.884	2.973	20	5		IFBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1	ZINC001164912293	721765929	/nfs/dbraw/zinc/76/59/29/721765929.db2.gz	XQPFVHVUAIOLPR-UHFFFAOYSA-N	0	0	437.456	2.959	20	5		IFBDRN
O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164915977	721789418	/nfs/dbraw/zinc/78/94/18/721789418.db2.gz	MRHACWQGGLHIFY-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4cc(Cl)cc([N+](=O)[O-])n4)CCO3)C2)cs1	ZINC001164926877	721826499	/nfs/dbraw/zinc/82/64/99/721826499.db2.gz	XVLNNHNWNYVPEB-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21	ZINC001164941907	721955394	/nfs/dbraw/zinc/95/53/94/721955394.db2.gz	CMVOTVVURXGFMU-NHCUHLMSSA-N	0	0	436.472	2.746	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21	ZINC001164948223	721963909	/nfs/dbraw/zinc/96/39/09/721963909.db2.gz	SLVRXJLRLLZZLD-ZWKOTPCHSA-N	0	0	444.879	2.886	20	5		IFBDRN
CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1	ZINC001164952783	722008297	/nfs/dbraw/zinc/00/82/97/722008297.db2.gz	BHZOBUANYVIISK-ZBEGNZNMSA-N	0	0	433.843	2.587	20	5		IFBDRN
COc1cc(C)nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1[N+](=O)[O-]	ZINC001164993967	722180668	/nfs/dbraw/zinc/18/06/68/722180668.db2.gz	XYOOWGCJTVLPBB-DLBZAZTESA-N	0	0	433.534	2.942	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC[C@H]32)cs1	ZINC001164991695	722182604	/nfs/dbraw/zinc/18/26/04/722182604.db2.gz	QOALLZPAMAMMOS-GDBMZVCRSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC[C@@H]32)cs1	ZINC001164992793	722183952	/nfs/dbraw/zinc/18/39/52/722183952.db2.gz	UIUIJRWOWWBVDL-HOTGVXAUSA-N	0	0	439.925	2.516	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2	ZINC001165006809	722270034	/nfs/dbraw/zinc/27/00/34/722270034.db2.gz	RCOAIPOOGJKXJN-JOCHJYFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]2CCCO[C@@H]21	ZINC001164647953	719303029	/nfs/dbraw/zinc/30/30/29/719303029.db2.gz	FKRGUCWLZXTAJW-XFJVYGCCSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC12CCOCC2)N1CC=CC1	ZINC001164677947	719557517	/nfs/dbraw/zinc/55/75/17/719557517.db2.gz	SWVNWRQMFJZLPV-OAHLLOKOSA-N	0	0	442.850	2.820	20	5		IFBDRN
COC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1[N+](=O)[O-]	ZINC001164696173	719893310	/nfs/dbraw/zinc/89/33/10/719893310.db2.gz	ALDNARJDRDWHKJ-UHFFFAOYSA-N	0	0	432.502	2.709	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21	ZINC001164824210	720417352	/nfs/dbraw/zinc/41/73/52/720417352.db2.gz	JWYNTUIILUZNFN-FRRDWIJNSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164885899	721340071	/nfs/dbraw/zinc/34/00/71/721340071.db2.gz	QPRUEASSJOJQNI-WMLDXEAASA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164882751	721341148	/nfs/dbraw/zinc/34/11/48/721341148.db2.gz	HTRJFOYITSDHEA-PBHICJAKSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2N1c1cccc(F)c1	ZINC001164881256	721361836	/nfs/dbraw/zinc/36/18/36/721361836.db2.gz	APJVYXRWOFEKQQ-GJZGRUSLSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2N1c1cccc(F)c1	ZINC001164885794	721363277	/nfs/dbraw/zinc/36/32/77/721363277.db2.gz	ZKQHKYWFNVTEQS-KGLIPLIRSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2N1c1cccc(F)c1	ZINC001164885797	721363375	/nfs/dbraw/zinc/36/33/75/721363375.db2.gz	ZKQHKYWFNVTEQS-ZIAGYGMSSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21)N1CCCO1	ZINC001164793482	721480204	/nfs/dbraw/zinc/48/02/04/721480204.db2.gz	WBAOYFJIUPYCHW-YRGRVCCFSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cnc1Cl	ZINC001164906140	721578712	/nfs/dbraw/zinc/57/87/12/721578712.db2.gz	YZIMWZSIUFSRJW-QGZVFWFLSA-N	0	0	440.838	2.854	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)c1	ZINC001164803791	721607391	/nfs/dbraw/zinc/60/73/91/721607391.db2.gz	KKYIFWOSRTVTII-RHSMWYFYSA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1cccc2ccc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)nc21	ZINC001164914126	721780778	/nfs/dbraw/zinc/78/07/78/721780778.db2.gz	BYOPEOQSERAQLK-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21	ZINC001164940891	721939496	/nfs/dbraw/zinc/93/94/96/721939496.db2.gz	FQSAGVJUKUAHJV-CABCVRRESA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21	ZINC001164940900	721939698	/nfs/dbraw/zinc/93/96/98/721939698.db2.gz	FQSAGVJUKUAHJV-HUUCEWRRSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC[C@@H]32)cs1	ZINC001164992796	722183929	/nfs/dbraw/zinc/18/39/29/722183929.db2.gz	UIUIJRWOWWBVDL-JKSUJKDBSA-N	0	0	439.925	2.516	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@H]1Cc1cnn(C)c1	ZINC001164997356	722222915	/nfs/dbraw/zinc/22/29/15/722222915.db2.gz	CKFZRWBHGYJUPW-HOTGVXAUSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2	ZINC001165003699	722261780	/nfs/dbraw/zinc/26/17/80/722261780.db2.gz	JZNHDVQDMUEQJK-JOCHJYFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2	ZINC001165005355	722263878	/nfs/dbraw/zinc/26/38/78/722263878.db2.gz	BGUPZPXJRGNSMU-JOCHJYFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2	ZINC001165005357	722263929	/nfs/dbraw/zinc/26/39/29/722263929.db2.gz	BGUPZPXJRGNSMU-QFIPXVFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC001164704595	719847358	/nfs/dbraw/zinc/84/73/58/719847358.db2.gz	RYIIXMRPRQZFIF-GTNSWQLSSA-N	0	0	433.292	2.529	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC001164705635	719852136	/nfs/dbraw/zinc/85/21/36/719852136.db2.gz	VBHUWQAAVXJCFA-GTNSWQLSSA-N	0	0	433.292	2.529	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164882292	721341796	/nfs/dbraw/zinc/34/17/96/721341796.db2.gz	CUTAOBBTWGMJGB-RHSMWYFYSA-N	0	0	430.839	2.700	20	5		IFBDRN
COc1cnc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779726	721347968	/nfs/dbraw/zinc/34/79/68/721347968.db2.gz	UZJKDILBZHVCGX-OAQYLSRUSA-N	0	0	431.493	2.722	20	5		IFBDRN
O=C(C[C@@]12COC[C@H]1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2)NCC1CC1	ZINC001164897764	721481772	/nfs/dbraw/zinc/48/17/72/721481772.db2.gz	UIHXSBWBJHCCIT-SJKOYZFVSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)cnc1Cl	ZINC001164798997	721606976	/nfs/dbraw/zinc/60/69/76/721606976.db2.gz	AMXOPLDTKZDSTO-WMLDXEAASA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)nc1Cl	ZINC001164805303	721607246	/nfs/dbraw/zinc/60/72/46/721607246.db2.gz	NQHVZOPZVPYYPJ-CXAGYDPISA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)nc1Cl	ZINC001164805320	721607326	/nfs/dbraw/zinc/60/73/26/721607326.db2.gz	NQHVZOPZVPYYPJ-SUMWQHHRSA-N	0	0	443.838	2.839	20	5		IFBDRN
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(CN(C)Cc3ccco3)cncc2C1	ZINC001164908478	721746926	/nfs/dbraw/zinc/74/69/26/721746926.db2.gz	KGYGMBSBEQFBDX-UHFFFAOYSA-N	0	0	437.456	2.959	20	5		IFBDRN
COC(=O)c1ccnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-]	ZINC001164909037	721755980	/nfs/dbraw/zinc/75/59/80/721755980.db2.gz	DGHMYCXZKJCEBV-UHFFFAOYSA-N	0	0	437.456	2.959	20	5		IFBDRN
Cc1cc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12	ZINC001164912496	721775473	/nfs/dbraw/zinc/77/54/73/721775473.db2.gz	MVWMDELKBHQMCY-DEOSSOPVSA-N	0	0	449.511	2.954	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ncc([N+](=O)[O-])cc4Cl)CCO3)C2)cs1	ZINC001164919919	721823065	/nfs/dbraw/zinc/82/30/65/721823065.db2.gz	YDKNNEJOENBMHI-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4cc(Cl)ncc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164924845	721824770	/nfs/dbraw/zinc/82/47/70/721824770.db2.gz	PGTFPKLXLPIXKB-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
COc1cccc(OC)c1CN1CCC(N(C)c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1	ZINC001165023403	721841192	/nfs/dbraw/zinc/84/11/92/721841192.db2.gz	ZSWVCOMKPINMKV-UHFFFAOYSA-N	0	0	436.896	3.000	20	5		IFBDRN
Cn1ccc(CN2CCOCC23CCN(c2ccc(-c4ccccc4[N+](=O)[O-])nn2)CC3)n1	ZINC001164935974	721908681	/nfs/dbraw/zinc/90/86/81/721908681.db2.gz	QTNYJRUYVWQLCN-UHFFFAOYSA-N	0	0	449.515	2.657	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21	ZINC001164945171	721941874	/nfs/dbraw/zinc/94/18/74/721941874.db2.gz	SQZRZRXABPGHTD-HOTGVXAUSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164940599	721944211	/nfs/dbraw/zinc/94/42/11/721944211.db2.gz	BYWRFFWBHGHJCM-UONOGXRCSA-N	0	0	428.276	2.991	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]1Cc1cnn(C)c1	ZINC001164996844	722222263	/nfs/dbraw/zinc/22/22/63/722222263.db2.gz	AQYRPFOEMSMJEW-GDBMZVCRSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001165005366	722261357	/nfs/dbraw/zinc/26/13/57/722261357.db2.gz	WFLWXLMBYOIBPJ-QFIPXVFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
CN1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]21	ZINC001164667621	719487711	/nfs/dbraw/zinc/48/77/11/719487711.db2.gz	LMNWPUFOSPKIHK-CVEARBPZSA-N	0	0	425.823	2.769	20	5		IFBDRN
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1	ZINC001164671664	719511203	/nfs/dbraw/zinc/51/12/03/719511203.db2.gz	GYZNSCMSWVLZCJ-UHFFFAOYSA-N	0	0	436.871	2.892	20	5		IFBDRN
O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164677570	719536731	/nfs/dbraw/zinc/53/67/31/719536731.db2.gz	FXTKHURWQJCLPD-BZPMIXESSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@@H]1C[C@H]2OCC[C@H]2N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164677081	719537590	/nfs/dbraw/zinc/53/75/90/719537590.db2.gz	BNRCJGTVIBXXTQ-KCPJHIHWSA-N	0	0	430.839	2.794	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	ZINC001164707964	719877684	/nfs/dbraw/zinc/87/76/84/719877684.db2.gz	WVMJAFMJJDLLCG-MBSDFSHPSA-N	0	0	440.500	2.890	20	5		IFBDRN
COC(=O)c1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c([N+](=O)[O-])c1	ZINC001164694882	719889684	/nfs/dbraw/zinc/88/96/84/719889684.db2.gz	GUARONXRAJJKMW-UHFFFAOYSA-N	0	0	432.502	2.709	20	5		IFBDRN
O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164816456	720262642	/nfs/dbraw/zinc/26/26/42/720262642.db2.gz	JSWVNMNWYZNJRJ-LBPRGKRZSA-N	0	0	440.838	2.643	20	5		IFBDRN
O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164816454	720262932	/nfs/dbraw/zinc/26/29/32/720262932.db2.gz	JSWVNMNWYZNJRJ-GFCCVEGCSA-N	0	0	440.838	2.643	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21	ZINC001164824208	720417779	/nfs/dbraw/zinc/41/77/79/720417779.db2.gz	JWYNTUIILUZNFN-AGIUHOORSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164882753	721341322	/nfs/dbraw/zinc/34/13/22/721341322.db2.gz	HTRJFOYITSDHEA-WMLDXEAASA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164882291	721341672	/nfs/dbraw/zinc/34/16/72/721341672.db2.gz	CUTAOBBTWGMJGB-PBHICJAKSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]12)N1CCCO1	ZINC001164793480	721480317	/nfs/dbraw/zinc/48/03/17/721480317.db2.gz	WBAOYFJIUPYCHW-DYEKYZERSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=C(C[C@]12COC[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)NCC1CC1	ZINC001164894852	721481261	/nfs/dbraw/zinc/48/12/61/721481261.db2.gz	JRKUDAXOCCJQSP-PXAZEXFGSA-N	0	0	430.839	2.557	20	5		IFBDRN
CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1	ZINC001165009355	721730265	/nfs/dbraw/zinc/73/02/65/721730265.db2.gz	WUJAFDRITPKRNW-UHFFFAOYSA-N	0	0	431.871	2.711	20	5		IFBDRN
O=[N+]([O-])c1cc2ccccc2nc1N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2	ZINC001164915975	721789543	/nfs/dbraw/zinc/78/95/43/721789543.db2.gz	MRHACWQGGLHIFY-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1	ZINC001164913491	721800977	/nfs/dbraw/zinc/80/09/77/721800977.db2.gz	DTTXIMMFGCGGQC-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21	ZINC001164942410	721935981	/nfs/dbraw/zinc/93/59/81/721935981.db2.gz	LYOMDJKZZXAYST-HZPDHXFCSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21	ZINC001164940903	721939644	/nfs/dbraw/zinc/93/96/44/721939644.db2.gz	FQSAGVJUKUAHJV-LSDHHAIUSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21	ZINC001164945170	721941759	/nfs/dbraw/zinc/94/17/59/721941759.db2.gz	SQZRZRXABPGHTD-CVEARBPZSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21	ZINC001164941905	721955591	/nfs/dbraw/zinc/95/55/91/721955591.db2.gz	CMVOTVVURXGFMU-LEWJYISDSA-N	0	0	436.472	2.746	20	5		IFBDRN
CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1	ZINC001164954911	722008690	/nfs/dbraw/zinc/00/86/90/722008690.db2.gz	QZAAPQVYPPVABU-MEDUHNTESA-N	0	0	433.843	2.587	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC[C@H]32)cs1	ZINC001164992795	722183910	/nfs/dbraw/zinc/18/39/10/722183910.db2.gz	UIUIJRWOWWBVDL-HZPDHXFCSA-N	0	0	439.925	2.516	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]1Cc1cnn(C)c1	ZINC001164997357	722223048	/nfs/dbraw/zinc/22/30/48/722223048.db2.gz	CKFZRWBHGYJUPW-HZPDHXFCSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2	ZINC001165006810	722270041	/nfs/dbraw/zinc/27/00/41/722270041.db2.gz	RCOAIPOOGJKXJN-QFIPXVFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]2CCCO[C@H]12	ZINC001164647949	719303096	/nfs/dbraw/zinc/30/30/96/719303096.db2.gz	FKRGUCWLZXTAJW-PEYYIBSZSA-N	0	0	430.839	2.794	20	5		IFBDRN
CN1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccccc4[N+](=O)[O-])nnc3Cl)C[C@H]21	ZINC001164670691	719488934	/nfs/dbraw/zinc/48/89/34/719488934.db2.gz	XYLTZYNQXOISTJ-CVEARBPZSA-N	0	0	425.823	2.769	20	5		IFBDRN
O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164677082	719537859	/nfs/dbraw/zinc/53/78/59/719537859.db2.gz	BNRCJGTVIBXXTQ-UGFHNGPFSA-N	0	0	430.839	2.794	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC001164704592	719847348	/nfs/dbraw/zinc/84/73/48/719847348.db2.gz	RYIIXMRPRQZFIF-DIFFPNOSSA-N	0	0	433.292	2.529	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1	ZINC001164707963	719877613	/nfs/dbraw/zinc/87/76/13/719877613.db2.gz	WVMJAFMJJDLLCG-JPYJTQIMSA-N	0	0	440.500	2.890	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21	ZINC001164824212	720417941	/nfs/dbraw/zinc/41/79/41/720417941.db2.gz	JWYNTUIILUZNFN-JHJVBQTASA-N	0	0	432.855	2.802	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21	ZINC001164823656	720418398	/nfs/dbraw/zinc/41/83/98/720418398.db2.gz	IQSRQJCPJCLGIV-DYEKYZERSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164885901	721339894	/nfs/dbraw/zinc/33/98/94/721339894.db2.gz	QPRUEASSJOJQNI-YOEHRIQHSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164885895	721339905	/nfs/dbraw/zinc/33/99/05/721339905.db2.gz	QPRUEASSJOJQNI-PBHICJAKSA-N	0	0	430.839	2.700	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164886162	721375167	/nfs/dbraw/zinc/37/51/67/721375167.db2.gz	LHRSNHMQESVKGX-OAHLLOKOSA-N	0	0	438.884	2.973	20	5		IFBDRN
O=C(C[C@@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)NCC1CC1	ZINC001164893369	721480158	/nfs/dbraw/zinc/48/01/58/721480158.db2.gz	CLPHOGVSRATZCA-CXAGYDPISA-N	0	0	430.839	2.557	20	5		IFBDRN
CN(C)/C=C/c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804680	721575635	/nfs/dbraw/zinc/57/56/35/721575635.db2.gz	LZAKJCWYYPNHCD-ICRDGIFZSA-N	0	0	438.532	2.785	20	5		IFBDRN
COC(=O)c1ccnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1[N+](=O)[O-]	ZINC001165023241	721841702	/nfs/dbraw/zinc/84/17/02/721841702.db2.gz	YXMCIXLFLMGHAO-UHFFFAOYSA-N	0	0	444.488	2.894	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]21	ZINC001164943953	721940701	/nfs/dbraw/zinc/94/07/01/721940701.db2.gz	QBRUEAHSUQMXGK-CABCVRRESA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]21	ZINC001164943959	721940704	/nfs/dbraw/zinc/94/07/04/721940704.db2.gz	QBRUEAHSUQMXGK-LSDHHAIUSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC001164942759	721941283	/nfs/dbraw/zinc/94/12/83/721941283.db2.gz	MVEODRVCPXNTLP-ZWKOTPCHSA-N	0	0	444.879	2.886	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21	ZINC001164950960	721959694	/nfs/dbraw/zinc/95/96/94/721959694.db2.gz	YMXLTCPNFBEPJU-RTWAWAEBSA-N	0	0	436.472	2.746	20	5		IFBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164950436	721980794	/nfs/dbraw/zinc/98/07/94/721980794.db2.gz	ULLMYSCEIOFZOK-UHFFFAOYSA-N	0	0	432.484	2.509	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC[C@H]32)cs1	ZINC001164984821	722178746	/nfs/dbraw/zinc/17/87/46/722178746.db2.gz	GCBYHDSJCYYEHE-NVXWUHKLSA-N	0	0	434.478	2.533	20	5		IFBDRN
COc1cc(C)nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1[N+](=O)[O-]	ZINC001164993974	722180658	/nfs/dbraw/zinc/18/06/58/722180658.db2.gz	XYOOWGCJTVLPBB-SJORKVTESA-N	0	0	433.534	2.942	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC[C@@H]32)cs1	ZINC001164991697	722182649	/nfs/dbraw/zinc/18/26/49/722182649.db2.gz	QOALLZPAMAMMOS-GOEBONIOSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])cc(Cl)[n+]4[O-])CC[C@H]32)cs1	ZINC001164992792	722183908	/nfs/dbraw/zinc/18/39/08/722183908.db2.gz	UIUIJRWOWWBVDL-CVEARBPZSA-N	0	0	439.925	2.516	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@H]1Cc1cnn(C)c1	ZINC001164997999	722222920	/nfs/dbraw/zinc/22/29/20/722222920.db2.gz	GAEYPPSDVYMHQW-GJZGRUSLSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CCN(c2ncnc3c2CCN(c2ccc4ccc5cccnc5c4n2)CC3)CC1	ZINC001164997705	722231346	/nfs/dbraw/zinc/23/13/46/722231346.db2.gz	TXLYVABLEJVDBY-UHFFFAOYSA-N	0	0	425.540	2.930	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]2CCCO[C@H]21	ZINC001164656693	719302136	/nfs/dbraw/zinc/30/21/36/719302136.db2.gz	XYKJLEXWYQXDLF-DJSGYFEHSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]2CCCO[C@@H]12	ZINC001164654700	719303079	/nfs/dbraw/zinc/30/30/79/719303079.db2.gz	RMXNXYDUKFBGHI-NORZTCDRSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164677572	719536064	/nfs/dbraw/zinc/53/60/64/719536064.db2.gz	FXTKHURWQJCLPD-MBNYWOFBSA-N	0	0	430.839	2.794	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC001164704586	719847380	/nfs/dbraw/zinc/84/73/80/719847380.db2.gz	RYIIXMRPRQZFIF-APPDUMDISA-N	0	0	433.292	2.529	20	5		IFBDRN
O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164882294	721341973	/nfs/dbraw/zinc/34/19/73/721341973.db2.gz	CUTAOBBTWGMJGB-YOEHRIQHSA-N	0	0	430.839	2.700	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2N1c1cccc(F)c1	ZINC001164881255	721361975	/nfs/dbraw/zinc/36/19/75/721361975.db2.gz	APJVYXRWOFEKQQ-CABCVRRESA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2N1c1cccc(F)c1	ZINC001164881539	721363652	/nfs/dbraw/zinc/36/36/52/721363652.db2.gz	DNMBCYNFFOWNMN-HUUCEWRRSA-N	0	0	442.781	2.948	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164886160	721375532	/nfs/dbraw/zinc/37/55/32/721375532.db2.gz	LHRSNHMQESVKGX-HNNXBMFYSA-N	0	0	438.884	2.973	20	5		IFBDRN
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21)N1CCCO1	ZINC001164793481	721480071	/nfs/dbraw/zinc/48/00/71/721480071.db2.gz	WBAOYFJIUPYCHW-MBNYWOFBSA-N	0	0	446.838	2.583	20	5		IFBDRN
CN(C)/C=C\c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804681	721575133	/nfs/dbraw/zinc/57/51/33/721575133.db2.gz	LZAKJCWYYPNHCD-SKBRHLLISA-N	0	0	438.532	2.785	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)nc1Cl	ZINC001164805310	721607235	/nfs/dbraw/zinc/60/72/35/721607235.db2.gz	NQHVZOPZVPYYPJ-DYVFJYSZSA-N	0	0	443.838	2.839	20	5		IFBDRN
CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1	ZINC001165011645	721734084	/nfs/dbraw/zinc/73/40/84/721734084.db2.gz	UHSZMMWTUCDWCM-UHFFFAOYSA-N	0	0	431.871	2.711	20	5		IFBDRN
COc1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc(OC)c1[N+](=O)[O-]	ZINC001164910768	721754085	/nfs/dbraw/zinc/75/40/85/721754085.db2.gz	RKYQLLGKNJNBGO-UHFFFAOYSA-N	0	0	440.460	2.585	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4cc(Cl)ncc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164924846	721824697	/nfs/dbraw/zinc/82/46/97/721824697.db2.gz	PGTFPKLXLPIXKB-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21	ZINC001164945172	721941922	/nfs/dbraw/zinc/94/19/22/721941922.db2.gz	SQZRZRXABPGHTD-HZPDHXFCSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@@H]21	ZINC001164941910	721955433	/nfs/dbraw/zinc/95/54/33/721955433.db2.gz	CMVOTVVURXGFMU-SFTDATJTSA-N	0	0	436.472	2.746	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC[C@H]32)cs1	ZINC001164984823	722178779	/nfs/dbraw/zinc/17/87/79/722178779.db2.gz	GCBYHDSJCYYEHE-WBVHZDCISA-N	0	0	434.478	2.533	20	5		IFBDRN
COCCO[C@@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]1Cc1cnn(C)c1	ZINC001164996845	722222400	/nfs/dbraw/zinc/22/24/00/722222400.db2.gz	AQYRPFOEMSMJEW-GOEBONIOSA-N	0	0	445.854	2.775	20	5		IFBDRN
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000045167954	563122474	/nfs/dbraw/zinc/12/24/74/563122474.db2.gz	ASRWADWAEKWXOO-XCVCLJGOSA-N	0	0	433.461	2.717	20	5		IFBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164663099	719345776	/nfs/dbraw/zinc/34/57/76/719345776.db2.gz	CQWFFIVUMCUZLG-UHFFFAOYSA-N	0	0	434.500	2.923	20	5		IFBDRN
CN1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@H]21	ZINC001164667625	719487903	/nfs/dbraw/zinc/48/79/03/719487903.db2.gz	LMNWPUFOSPKIHK-HZPDHXFCSA-N	0	0	425.823	2.769	20	5		IFBDRN
O=C([C@@H]1C[C@H]2OCC[C@@H]2N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164677079	719537341	/nfs/dbraw/zinc/53/73/41/719537341.db2.gz	BNRCJGTVIBXXTQ-BYCMXARLSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC12CCOCC2)N1CC=CC1	ZINC001164676464	719557426	/nfs/dbraw/zinc/55/74/26/719557426.db2.gz	BYLFKBHJCXYYSI-CYBMUJFWSA-N	0	0	442.850	2.820	20	5		IFBDRN
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1	ZINC001164706914	719907605	/nfs/dbraw/zinc/90/76/05/719907605.db2.gz	LSHOSDJOKHWYMR-UHFFFAOYSA-N	0	0	446.533	2.585	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001164828063	720415952	/nfs/dbraw/zinc/41/59/52/720415952.db2.gz	VYJOXNWEQZXSBN-MBNYWOFBSA-N	0	0	432.855	2.802	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21	ZINC001164823660	720418180	/nfs/dbraw/zinc/41/81/80/720418180.db2.gz	IQSRQJCPJCLGIV-YRGRVCCFSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C1CO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2N1c1cccc(F)c1	ZINC001164881540	721363710	/nfs/dbraw/zinc/36/37/10/721363710.db2.gz	DNMBCYNFFOWNMN-LSDHHAIUSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21)N1CCCO1	ZINC001164793516	721480199	/nfs/dbraw/zinc/48/01/99/721480199.db2.gz	WNVBNYNCPWOSLO-VNHYZAJKSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=C(C[C@]12COC[C@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)NCC1CC1	ZINC001164893371	721480343	/nfs/dbraw/zinc/48/03/43/721480343.db2.gz	CLPHOGVSRATZCA-DYVFJYSZSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=C(C[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)NCC1CC1	ZINC001164894858	721481266	/nfs/dbraw/zinc/48/12/66/721481266.db2.gz	JRKUDAXOCCJQSP-YVEFUNNKSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1Cl	ZINC001164905125	721579369	/nfs/dbraw/zinc/57/93/69/721579369.db2.gz	SITLAMGUSBNJBE-QGZVFWFLSA-N	0	0	440.838	2.854	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)cnc1Cl	ZINC001164798996	721606876	/nfs/dbraw/zinc/60/68/76/721606876.db2.gz	AMXOPLDTKZDSTO-RHSMWYFYSA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1ccc2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nc2c1	ZINC001164912644	721777580	/nfs/dbraw/zinc/77/75/80/721777580.db2.gz	NSYQOCANFNCIQB-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4cc(Cl)cc([N+](=O)[O-])n4)CCO3)C2)cs1	ZINC001164926878	721826324	/nfs/dbraw/zinc/82/63/24/721826324.db2.gz	XVLNNHNWNYVPEB-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC001164942756	721941072	/nfs/dbraw/zinc/94/10/72/721941072.db2.gz	MVEODRVCPXNTLP-QZTJIDSGSA-N	0	0	444.879	2.886	20	5		IFBDRN
COc1cc(C)nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1[N+](=O)[O-]	ZINC001164993970	722180706	/nfs/dbraw/zinc/18/07/06/722180706.db2.gz	XYOOWGCJTVLPBB-IAGOWNOFSA-N	0	0	433.534	2.942	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]1Cc1cnn(C)c1	ZINC001164996847	722222185	/nfs/dbraw/zinc/22/21/85/722222185.db2.gz	AQYRPFOEMSMJEW-ZBFHGGJFSA-N	0	0	445.854	2.775	20	5		IFBDRN
COCCN1CCN(C)C2(CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)C1=O	ZINC001164632826	719273382	/nfs/dbraw/zinc/27/33/82/719273382.db2.gz	DAEFWABTKGRQJU-UHFFFAOYSA-N	0	0	447.923	2.556	20	5		IFBDRN
COC(=O)c1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC001164673354	719512183	/nfs/dbraw/zinc/51/21/83/719512183.db2.gz	PUUJWOCPTJSLEH-UHFFFAOYSA-N	0	0	444.463	2.787	20	5		IFBDRN
O=C([C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2)N1CC=CC1	ZINC001164678083	719556397	/nfs/dbraw/zinc/55/63/97/719556397.db2.gz	VKVXNBYITODXLP-AWEZNQCLSA-N	0	0	442.850	2.820	20	5		IFBDRN
Clc1ccc2ccc3ccc(N4CCn5c(CN6CCOCC6)nnc5C4)nc3c2n1	ZINC001164678682	719579320	/nfs/dbraw/zinc/57/93/20/719579320.db2.gz	SPYAOYRNCRBRDM-UHFFFAOYSA-N	0	0	435.919	2.880	20	5		IFBDRN
COc1cc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778220	721346345	/nfs/dbraw/zinc/34/63/45/721346345.db2.gz	LHTVZPMUYLFGGP-NRFANRHFSA-N	0	0	431.493	2.722	20	5		IFBDRN
COc1cnc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779725	721347604	/nfs/dbraw/zinc/34/76/04/721347604.db2.gz	UZJKDILBZHVCGX-NRFANRHFSA-N	0	0	431.493	2.722	20	5		IFBDRN
Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)CC2=O)cn1	ZINC001164884819	721370089	/nfs/dbraw/zinc/37/00/89/721370089.db2.gz	FVXXTZUKKZGGNA-MRXNPFEDSA-N	0	0	426.811	2.555	20	5		IFBDRN
Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)CC2=O)cn1	ZINC001164884818	721370241	/nfs/dbraw/zinc/37/02/41/721370241.db2.gz	FVXXTZUKKZGGNA-INIZCTEOSA-N	0	0	426.811	2.555	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164887434	721374072	/nfs/dbraw/zinc/37/40/72/721374072.db2.gz	REHQWAYUDZCDOJ-OAHLLOKOSA-N	0	0	438.884	2.973	20	5		IFBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164806601	721541628	/nfs/dbraw/zinc/54/16/28/721541628.db2.gz	PBBSCCVEKIFTIH-GUTXKFCHSA-N	0	0	439.303	2.955	20	5		IFBDRN
CN(C)/C=C/c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804683	721575481	/nfs/dbraw/zinc/57/54/81/721575481.db2.gz	LZAKJCWYYPNHCD-XSYKVQNESA-N	0	0	438.532	2.785	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ncc([N+](=O)[O-])cc4Cl)CCO3)C2)cs1	ZINC001164919918	721823158	/nfs/dbraw/zinc/82/31/58/721823158.db2.gz	YDKNNEJOENBMHI-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
COc1cc(OC)nc(CN2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)n1	ZINC001165028547	721851652	/nfs/dbraw/zinc/85/16/52/721851652.db2.gz	BGEKAIYNIKMUNV-UHFFFAOYSA-N	0	0	444.879	2.926	20	5		IFBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2	ZINC001164945838	721970559	/nfs/dbraw/zinc/97/05/59/721970559.db2.gz	STVFLDCUCBDOFP-UHFFFAOYSA-N	0	0	432.484	2.509	20	5		IFBDRN
CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1	ZINC001164952780	722008236	/nfs/dbraw/zinc/00/82/36/722008236.db2.gz	BHZOBUANYVIISK-BDJLRTHQSA-N	0	0	433.843	2.587	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC[C@@H]32)cs1	ZINC001164984822	722178705	/nfs/dbraw/zinc/17/87/05/722178705.db2.gz	GCBYHDSJCYYEHE-RDJZCZTQSA-N	0	0	434.478	2.533	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)[C@@H]1Cc1cnn(C)c1	ZINC001164997998	722223079	/nfs/dbraw/zinc/22/30/79/722223079.db2.gz	GAEYPPSDVYMHQW-CABCVRRESA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2	ZINC001165008655	722263852	/nfs/dbraw/zinc/26/38/52/722263852.db2.gz	XFPDOHMSUFNODK-JOCHJYFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
COCCN1CCN(C)C2(CCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)CC2)C1=O	ZINC001164639981	719276431	/nfs/dbraw/zinc/27/64/31/719276431.db2.gz	MGIVLPXQVWBDPX-UHFFFAOYSA-N	0	0	447.923	2.556	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]2CCCO[C@@H]21	ZINC001164656696	719302159	/nfs/dbraw/zinc/30/21/59/719302159.db2.gz	XYKJLEXWYQXDLF-XFJVYGCCSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]2CCCO[C@H]21	ZINC001164654690	719302772	/nfs/dbraw/zinc/30/27/72/719302772.db2.gz	RMXNXYDUKFBGHI-AXAPSJFSSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC12CCOCC2)N1CC=CC1	ZINC001164677946	719557258	/nfs/dbraw/zinc/55/72/58/719557258.db2.gz	SWVNWRQMFJZLPV-HNNXBMFYSA-N	0	0	442.850	2.820	20	5		IFBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC001164705636	719852212	/nfs/dbraw/zinc/85/22/12/719852212.db2.gz	VBHUWQAAVXJCFA-PIGZYNQJSA-N	0	0	433.292	2.529	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21	ZINC001164828062	720415583	/nfs/dbraw/zinc/41/55/83/720415583.db2.gz	VYJOXNWEQZXSBN-DYEKYZERSA-N	0	0	432.855	2.802	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21	ZINC001164823655	720418239	/nfs/dbraw/zinc/41/82/39/720418239.db2.gz	IQSRQJCPJCLGIV-BZPMIXESSA-N	0	0	432.855	2.802	20	5		IFBDRN
O=C1CO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2N1c1cccc(F)c1	ZINC001164885792	721362993	/nfs/dbraw/zinc/36/29/93/721362993.db2.gz	ZKQHKYWFNVTEQS-KBPBESRZSA-N	0	0	442.781	2.948	20	5		IFBDRN
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]12)N1CCCO1	ZINC001164793514	721480314	/nfs/dbraw/zinc/48/03/14/721480314.db2.gz	WNVBNYNCPWOSLO-NFAWXSAZSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]12)N1CCCO1	ZINC001164793479	721480336	/nfs/dbraw/zinc/48/03/36/721480336.db2.gz	WBAOYFJIUPYCHW-BZPMIXESSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=C(C[C@@]12COC[C@H]1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2)NCC1CC1	ZINC001164894856	721481383	/nfs/dbraw/zinc/48/13/83/721481383.db2.gz	JRKUDAXOCCJQSP-SJKOYZFVSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)cnc1Cl	ZINC001164906139	721578917	/nfs/dbraw/zinc/57/89/17/721578917.db2.gz	YZIMWZSIUFSRJW-KRWDZBQOSA-N	0	0	440.838	2.854	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1	ZINC001164905687	721579856	/nfs/dbraw/zinc/57/98/56/721579856.db2.gz	VAWYQHQXTMATHS-QGZVFWFLSA-N	0	0	440.838	2.854	20	5		IFBDRN
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1	ZINC001164913489	721801088	/nfs/dbraw/zinc/80/10/88/721801088.db2.gz	DTTXIMMFGCGGQC-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
COc1cccc(OC)c1CN1CCC(N(C)c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1	ZINC001165022716	721842225	/nfs/dbraw/zinc/84/22/25/721842225.db2.gz	SOPMTTBEFDUJQT-UHFFFAOYSA-N	0	0	436.896	3.000	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21	ZINC001164942405	721936056	/nfs/dbraw/zinc/93/60/56/721936056.db2.gz	LYOMDJKZZXAYST-CVEARBPZSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC001164942754	721941229	/nfs/dbraw/zinc/94/12/29/721941229.db2.gz	MVEODRVCPXNTLP-MSOLQXFVSA-N	0	0	444.879	2.886	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc(-c4ccc([N+](=O)[O-])cc4)nn3)C[C@H]21	ZINC001164941909	721955454	/nfs/dbraw/zinc/95/54/54/721955454.db2.gz	CMVOTVVURXGFMU-RTWAWAEBSA-N	0	0	436.472	2.746	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC[C@@H]32)cs1	ZINC001164991698	722182632	/nfs/dbraw/zinc/18/26/32/722182632.db2.gz	QOALLZPAMAMMOS-HOCLYGCPSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])CC[C@H]32)cs1	ZINC001164991699	722182666	/nfs/dbraw/zinc/18/26/66/722182666.db2.gz	QOALLZPAMAMMOS-ZBFHGGJFSA-N	0	0	439.925	2.516	20	5		IFBDRN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12	ZINC000012735658	527405888	/nfs/dbraw/zinc/40/58/88/527405888.db2.gz	YJIPIFLHNBTVIL-UHFFFAOYSA-N	0	0	435.771	2.788	20	5		IFBDRN
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1	ZINC001164677011	719532015	/nfs/dbraw/zinc/53/20/15/719532015.db2.gz	AHBXDTVWILFDKL-UHFFFAOYSA-N	0	0	444.463	2.787	20	5		IFBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778869	721332994	/nfs/dbraw/zinc/33/29/94/721332994.db2.gz	ZPHWRORCENOFSD-IBGZPJMESA-N	0	0	436.900	2.762	20	5		IFBDRN
O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164882293	721341907	/nfs/dbraw/zinc/34/19/07/721341907.db2.gz	CUTAOBBTWGMJGB-WMLDXEAASA-N	0	0	430.839	2.700	20	5		IFBDRN
Cn1cc(N2C[C@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)CC2=O)cn1	ZINC001164887291	721371360	/nfs/dbraw/zinc/37/13/60/721371360.db2.gz	QCAWYXVXOLCDRZ-MRXNPFEDSA-N	0	0	426.811	2.555	20	5		IFBDRN
Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)CC2=O)cn1	ZINC001164887287	721371405	/nfs/dbraw/zinc/37/14/05/721371405.db2.gz	QCAWYXVXOLCDRZ-INIZCTEOSA-N	0	0	426.811	2.555	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164887433	721374023	/nfs/dbraw/zinc/37/40/23/721374023.db2.gz	REHQWAYUDZCDOJ-HNNXBMFYSA-N	0	0	438.884	2.973	20	5		IFBDRN
O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21)N1CCCO1	ZINC001164793515	721480059	/nfs/dbraw/zinc/48/00/59/721480059.db2.gz	WNVBNYNCPWOSLO-UMVBOHGHSA-N	0	0	446.838	2.583	20	5		IFBDRN
O=C(C[C@]12COC[C@@H]1CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2)NCC1CC1	ZINC001164893374	721480291	/nfs/dbraw/zinc/48/02/91/721480291.db2.gz	CLPHOGVSRATZCA-GUYCJALGSA-N	0	0	430.839	2.557	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)c1	ZINC001164803794	721607532	/nfs/dbraw/zinc/60/75/32/721607532.db2.gz	KKYIFWOSRTVTII-WMLDXEAASA-N	0	0	443.838	2.839	20	5		IFBDRN
CSc1nc(Cl)nc(N2CCCn3c(CN(C)C(C)C)nnc3C2)c1[N+](=O)[O-]	ZINC001165009530	721706400	/nfs/dbraw/zinc/70/64/00/721706400.db2.gz	ALGWCCVFYYEFPQ-UHFFFAOYSA-N	0	0	426.934	2.602	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4cc([N+](=O)[O-])cc(Cl)n4)CCO3)C2)cs1	ZINC001164919775	721823071	/nfs/dbraw/zinc/82/30/71/721823071.db2.gz	VWXMMUSQLCORQJ-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1nc(CN2CCOC[C@]3(CN(c4nccc(Cl)c4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164919171	721823201	/nfs/dbraw/zinc/82/32/01/721823201.db2.gz	NUUQOJDPNXICGV-GOSISDBHSA-N	0	0	439.925	2.516	20	5		IFBDRN
COc1cc(OC)nc(CN2CCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])CC2)n1	ZINC001165030674	721847240	/nfs/dbraw/zinc/84/72/40/721847240.db2.gz	UMHHNQFSNZXASA-UHFFFAOYSA-N	0	0	444.879	2.926	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164940593	721944208	/nfs/dbraw/zinc/94/42/08/721944208.db2.gz	BYWRFFWBHGHJCM-KBPBESRZSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])CC[C@@H]32)cs1	ZINC001164984820	722178815	/nfs/dbraw/zinc/17/88/15/722178815.db2.gz	GCBYHDSJCYYEHE-DOTOQJQBSA-N	0	0	434.478	2.533	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]1Cc1cnn(C)c1	ZINC001164997355	722222988	/nfs/dbraw/zinc/22/29/88/722222988.db2.gz	CKFZRWBHGYJUPW-CVEARBPZSA-N	0	0	445.854	2.775	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2	ZINC001165003703	722261866	/nfs/dbraw/zinc/26/18/66/722261866.db2.gz	JZNHDVQDMUEQJK-QFIPXVFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2	ZINC001165008656	722263874	/nfs/dbraw/zinc/26/38/74/722263874.db2.gz	XFPDOHMSUFNODK-QFIPXVFZSA-N	0	0	436.447	2.605	20	5		IFBDRN
CN1CCO[C@@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]21	ZINC001164667627	719487101	/nfs/dbraw/zinc/48/71/01/719487101.db2.gz	LMNWPUFOSPKIHK-JKSUJKDBSA-N	0	0	425.823	2.769	20	5		IFBDRN
CN1CCO[C@H]2CN(C(F)(F)c3cc(-c4ccc([N+](=O)[O-])cc4)nnc3Cl)C[C@@H]21	ZINC001164667623	719487374	/nfs/dbraw/zinc/48/73/74/719487374.db2.gz	LMNWPUFOSPKIHK-HOTGVXAUSA-N	0	0	425.823	2.769	20	5		IFBDRN
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC001164673142	719499972	/nfs/dbraw/zinc/49/99/72/719499972.db2.gz	OGRNSOVYGYWUHJ-UHFFFAOYSA-N	0	0	431.424	2.909	20	5		IFBDRN
O=C([C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC12CCOCC2)N1CC=CC1	ZINC001164676465	719557036	/nfs/dbraw/zinc/55/70/36/719557036.db2.gz	BYLFKBHJCXYYSI-ZDUSSCGKSA-N	0	0	442.850	2.820	20	5		IFBDRN
O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1	ZINC001164816460	720261372	/nfs/dbraw/zinc/26/13/72/720261372.db2.gz	JUWWIIYLJHWHFE-LBPRGKRZSA-N	0	0	440.838	2.643	20	5		IFBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778870	721332961	/nfs/dbraw/zinc/33/29/61/721332961.db2.gz	ZPHWRORCENOFSD-LJQANCHMSA-N	0	0	436.900	2.762	20	5		IFBDRN
Cn1cc(N2C[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)CC2=O)cn1	ZINC001164888763	721370751	/nfs/dbraw/zinc/37/07/51/721370751.db2.gz	WRHAWMVYQIJRGS-INIZCTEOSA-N	0	0	426.811	2.555	20	5		IFBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164806604	721541431	/nfs/dbraw/zinc/54/14/31/721541431.db2.gz	PBBSCCVEKIFTIH-UMVBOHGHSA-N	0	0	439.303	2.955	20	5		IFBDRN
CN(C)/C=C\c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804682	721574986	/nfs/dbraw/zinc/57/49/86/721574986.db2.gz	LZAKJCWYYPNHCD-XLJQLOQWSA-N	0	0	438.532	2.785	20	5		IFBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)nc1Cl	ZINC001164905124	721579262	/nfs/dbraw/zinc/57/92/62/721579262.db2.gz	SITLAMGUSBNJBE-KRWDZBQOSA-N	0	0	440.838	2.854	20	5		IFBDRN
Cc1cc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc2ccc([N+](=O)[O-])cc12	ZINC001164912497	721774995	/nfs/dbraw/zinc/77/49/95/721774995.db2.gz	MVWMDELKBHQMCY-XMMPIXPASA-N	0	0	449.511	2.954	20	5		IFBDRN
O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c2ccccc21	ZINC001164913573	721780184	/nfs/dbraw/zinc/78/01/84/721780184.db2.gz	XSHOSXSOSVZMFG-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
O=[N+]([O-])c1cccc2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nc21	ZINC001164914129	721780998	/nfs/dbraw/zinc/78/09/98/721780998.db2.gz	BYOPEOQSERAQLK-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)c2c1	ZINC001164916691	721792030	/nfs/dbraw/zinc/79/20/30/721792030.db2.gz	SJYALYBBLLAMBW-QHCPKHFHSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ncc(Cl)cc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164919785	721823084	/nfs/dbraw/zinc/82/30/84/721823084.db2.gz	WBQHVABAEGQFOL-SFHVURJKSA-N	0	0	439.925	2.516	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21	ZINC001164942413	721936026	/nfs/dbraw/zinc/93/60/26/721936026.db2.gz	LYOMDJKZZXAYST-JKSUJKDBSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164940596	721944325	/nfs/dbraw/zinc/94/43/25/721944325.db2.gz	BYWRFFWBHGHJCM-KGLIPLIRSA-N	0	0	428.276	2.991	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C[C@@H]21	ZINC001164948219	721963783	/nfs/dbraw/zinc/96/37/83/721963783.db2.gz	SLVRXJLRLLZZLD-ROUUACIJSA-N	0	0	444.879	2.886	20	5		IFBDRN
CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C2)C1	ZINC001164952782	722008424	/nfs/dbraw/zinc/00/84/24/722008424.db2.gz	BHZOBUANYVIISK-MEDUHNTESA-N	0	0	433.843	2.587	20	5		IFBDRN
O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]2CCCO[C@H]12	ZINC001164654693	719302706	/nfs/dbraw/zinc/30/27/06/719302706.db2.gz	RMXNXYDUKFBGHI-GHJWDPDVSA-N	0	0	430.839	2.794	20	5		IFBDRN
O=C([C@@H]1C[C@@H]2OCC[C@H]2N(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1)N1CCCC1	ZINC001164677080	719537022	/nfs/dbraw/zinc/53/70/22/719537022.db2.gz	BNRCJGTVIBXXTQ-DFBGVHRSSA-N	0	0	430.839	2.794	20	5		IFBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)cc(Cl)c1[N+](=O)[O-]	ZINC001164705634	719852291	/nfs/dbraw/zinc/85/22/91/719852291.db2.gz	VBHUWQAAVXJCFA-DIFFPNOSSA-N	0	0	433.292	2.529	20	5		IFBDRN
O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1)N1CCCC1	ZINC001164816458	720261316	/nfs/dbraw/zinc/26/13/16/720261316.db2.gz	JUWWIIYLJHWHFE-GFCCVEGCSA-N	0	0	440.838	2.643	20	5		IFBDRN
O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1)N1CCCC1	ZINC001164818242	720262600	/nfs/dbraw/zinc/26/26/00/720262600.db2.gz	XLOKMHUFFCCPSH-LBPRGKRZSA-N	0	0	440.838	2.643	20	5		IFBDRN
CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21	ZINC001164824214	720417613	/nfs/dbraw/zinc/41/76/13/720417613.db2.gz	JWYNTUIILUZNFN-UPJWGTAASA-N	0	0	432.855	2.802	20	5		IFBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779686	721343049	/nfs/dbraw/zinc/34/30/49/721343049.db2.gz	UVFIFFIJBMQEAD-HXUWFJFHSA-N	0	0	446.464	2.622	20	5		IFBDRN
CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164887473	721375261	/nfs/dbraw/zinc/37/52/61/721375261.db2.gz	RYBUCOSDBUKSSE-OAHLLOKOSA-N	0	0	438.884	2.973	20	5		IFBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@H]12	ZINC001164806603	721541443	/nfs/dbraw/zinc/54/14/43/721541443.db2.gz	PBBSCCVEKIFTIH-NFAWXSAZSA-N	0	0	439.303	2.955	20	5		IFBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)cnc1Cl	ZINC001164799000	721606970	/nfs/dbraw/zinc/60/69/70/721606970.db2.gz	AMXOPLDTKZDSTO-YOEHRIQHSA-N	0	0	443.838	2.839	20	5		IFBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)c1	ZINC001164803796	721607433	/nfs/dbraw/zinc/60/74/33/721607433.db2.gz	KKYIFWOSRTVTII-YOEHRIQHSA-N	0	0	443.838	2.839	20	5		IFBDRN
CN(C)C(=O)CN1CCC2(CCCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1	ZINC001165011136	721734777	/nfs/dbraw/zinc/73/47/77/721734777.db2.gz	MTIMOVQRHRRGCA-UHFFFAOYSA-N	0	0	431.871	2.711	20	5		IFBDRN
O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c2ccccc21	ZINC001164913572	721779931	/nfs/dbraw/zinc/77/99/31/721779931.db2.gz	XSHOSXSOSVZMFG-HSZRJFAPSA-N	0	0	435.484	2.646	20	5		IFBDRN
Cn1ccc(CN2CCOCC23CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC3)n1	ZINC001164933174	721904905	/nfs/dbraw/zinc/90/49/05/721904905.db2.gz	HGMUQXAOYGBZAP-UHFFFAOYSA-N	0	0	441.319	2.902	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21	ZINC001164940897	721939640	/nfs/dbraw/zinc/93/96/40/721939640.db2.gz	FQSAGVJUKUAHJV-GJZGRUSLSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21	ZINC001164945173	721941848	/nfs/dbraw/zinc/94/18/48/721941848.db2.gz	SQZRZRXABPGHTD-JKSUJKDBSA-N	0	0	443.838	2.883	20	5		IFBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc(-c4ccccc4[N+](=O)[O-])nn3)C[C@H]21	ZINC001164950959	721959503	/nfs/dbraw/zinc/95/95/03/721959503.db2.gz	YMXLTCPNFBEPJU-NHCUHLMSSA-N	0	0	436.472	2.746	20	5		IFBDRN
CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C2)C1	ZINC001164955012	722008694	/nfs/dbraw/zinc/00/86/94/722008694.db2.gz	QZAAPQVYPPVABU-ZBEGNZNMSA-N	0	0	433.843	2.587	20	5		IFBDRN
COc1cc(C)nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1[N+](=O)[O-]	ZINC001164993972	722180554	/nfs/dbraw/zinc/18/05/54/722180554.db2.gz	XYOOWGCJTVLPBB-IRXDYDNUSA-N	0	0	433.534	2.942	20	5		IFBDRN
COCCO[C@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@H]1Cc1cnn(C)c1	ZINC001164996846	722222337	/nfs/dbraw/zinc/22/23/37/722222337.db2.gz	AQYRPFOEMSMJEW-HOCLYGCPSA-N	0	0	445.854	2.775	20	5		IFBDRN