smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2F)N1	ZINC000000090288	344328758	/nfs/dbraw/zinc/32/87/58/344328758.db2.gz	QGDNPJMOWINWST-KOLCDFICSA-N	0	3	238.218	1.422	50	5		BDBAHN
Cc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000099333	384299116	/nfs/dbraw/zinc/29/91/16/384299116.db2.gz	DLQZVKNZVDCCIV-JQWIXIFHSA-N	0	3	234.255	1.591	50	5		BDBAHN
C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1	ZINC000003877873	132315608	/nfs/dbraw/zinc/31/56/08/132315608.db2.gz	WJUYWKJVECSDQD-UWVGGRQHSA-N	0	3	235.287	1.781	50	5		BDBAHN
COc1cc([N+](=O)[O-])ccc1N1CCNCC1	ZINC000033711885	132336262	/nfs/dbraw/zinc/33/62/62/132336262.db2.gz	DGVRAWOHHPXSAQ-UHFFFAOYSA-N	0	3	237.259	1.013	50	5		BDBAHN
COc1cc2c(cc1[N+](=O)[O-])CCNC2	ZINC000097757528	175026491	/nfs/dbraw/zinc/02/64/91/175026491.db2.gz	XWTZUMUHDLXXER-UHFFFAOYSA-N	0	3	208.217	1.249	50	5		BDBAHN
CC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1	ZINC000004850760	384167548	/nfs/dbraw/zinc/16/75/48/384167548.db2.gz	BTQOLHFXAUGYLI-JTQLQIEISA-N	0	3	224.260	1.455	50	5		BDBAHN
Cc1cc(N2CCNCC2)c(F)cc1[N+](=O)[O-]	ZINC000004183910	132316090	/nfs/dbraw/zinc/31/60/90/132316090.db2.gz	AZPCWIIIJMTUHA-UHFFFAOYSA-N	0	3	239.250	1.452	50	5		BDBAHN
CN1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000239040	173016864	/nfs/dbraw/zinc/01/68/64/173016864.db2.gz	WRIGVYZSNGDFNJ-UHFFFAOYSA-N	0	3	249.314	1.732	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccs2)N1	ZINC000000088844	344245242	/nfs/dbraw/zinc/24/52/42/344245242.db2.gz	NXGSXROJOVXBSB-MUWHJKNJSA-N	0	3	226.257	1.345	50	5		BDBAHN
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1	ZINC000003877875	132315763	/nfs/dbraw/zinc/31/57/63/132315763.db2.gz	WJUYWKJVECSDQD-NXEZZACHSA-N	0	3	235.287	1.781	50	5		BDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c(F)c1	ZINC000003884268	132315913	/nfs/dbraw/zinc/31/59/13/132315913.db2.gz	ZILOTWJFFLIFMZ-UHFFFAOYSA-N	0	3	225.223	1.144	50	5		BDBAHN
COc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004455696	132316643	/nfs/dbraw/zinc/31/66/43/132316643.db2.gz	HPFKHBWFRKOXLW-UHFFFAOYSA-N	0	3	237.259	1.013	50	5		BDBAHN
CNCc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000061554961	173387986	/nfs/dbraw/zinc/38/79/86/173387986.db2.gz	ZZNMPUODEPHEOF-UHFFFAOYSA-N	0	3	210.189	1.043	50	5		BDBAHN
CC([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000000167805	177031065	/nfs/dbraw/zinc/03/10/65/177031065.db2.gz	FCWYFQGGRBDNRW-MUWHJKNJSA-N	0	3	207.185	1.563	50	5		BDBAHN
COC[C@H](C)NCc1ccccc1[N+](=O)[O-]	ZINC000054991788	398285434	/nfs/dbraw/zinc/28/54/34/398285434.db2.gz	PVMCZLMYYOZXCK-VIFPVBQESA-N	0	3	224.260	1.719	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](C2CCCCC2)N1	ZINC000000100966	344405041	/nfs/dbraw/zinc/40/50/41/344405041.db2.gz	FZTTVMXAWJJCSB-KOLCDFICSA-N	0	3	226.276	1.491	50	5		BDBAHN
O=[N+]([O-])c1ccc2ncn(CN3CCCC3)c2c1	ZINC000005394927	346206883	/nfs/dbraw/zinc/20/68/83/346206883.db2.gz	DBXYSMRCVSVYRP-UHFFFAOYSA-N	0	3	246.270	1.998	50	5		BDBAHN
CCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000036882389	361576479	/nfs/dbraw/zinc/57/64/79/361576479.db2.gz	MQUWUYCTTHAUEC-JTQLQIEISA-N	0	3	237.259	1.661	50	5		BDBAHN
O=[N+]([O-])c1cc(Cl)ccc1OC1CNC1	ZINC000042769699	374288142	/nfs/dbraw/zinc/28/81/42/374288142.db2.gz	VCKGZIKKTZQBHV-UHFFFAOYSA-N	0	3	228.635	1.599	50	5		BDBAHN
CN(C)CCNc1cc(F)ccc1[N+](=O)[O-]	ZINC000052119071	385697846	/nfs/dbraw/zinc/69/78/46/385697846.db2.gz	YNJHWNSWHUEMEJ-UHFFFAOYSA-N	0	3	227.239	1.707	50	5		BDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1	ZINC000003877867	132315856	/nfs/dbraw/zinc/31/58/56/132315856.db2.gz	UBLZWKCJZSDBGQ-UWVGGRQHSA-N	0	3	235.287	1.781	50	5		BDBAHN
O=[N+]([O-])c1cc(F)ccc1N1CCNCC1	ZINC000004334531	132316390	/nfs/dbraw/zinc/31/63/90/132316390.db2.gz	ZPYLKZRKXDCEQI-UHFFFAOYSA-N	0	3	225.223	1.144	50	5		BDBAHN
CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1	ZINC000037248249	361777041	/nfs/dbraw/zinc/77/70/41/361777041.db2.gz	FYLYFAXPUULTJO-UHFFFAOYSA-N	0	3	236.275	1.496	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](C2CCCCC2)N1	ZINC000000100968	344405144	/nfs/dbraw/zinc/40/51/44/344405144.db2.gz	FZTTVMXAWJJCSB-MWLCHTKSSA-N	0	3	226.276	1.491	50	5		BDBAHN
CO[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1	ZINC000167014320	385014024	/nfs/dbraw/zinc/01/40/24/385014024.db2.gz	WEKZKECPYBZNCJ-VIFPVBQESA-N	0	3	224.260	1.719	50	5		BDBAHN
CN(C)CCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001871347	388011342	/nfs/dbraw/zinc/01/13/42/388011342.db2.gz	SJPJHLBDGCNLAL-UHFFFAOYSA-N	0	3	222.244	1.729	50	5		BDBAHN
Cc1ccnc(SCCN(C)C)c1[N+](=O)[O-]	ZINC000089701884	388362011	/nfs/dbraw/zinc/36/20/11/388362011.db2.gz	AHSJBJOAXQXHON-UHFFFAOYSA-N	0	3	241.316	1.952	50	5		BDBAHN
Nc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1	ZINC000042684305	362017121	/nfs/dbraw/zinc/01/71/21/362017121.db2.gz	HBJPROSKUZWJNS-UHFFFAOYSA-N	0	3	204.189	1.567	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccs2)N1	ZINC000000088835	344245232	/nfs/dbraw/zinc/24/52/32/344245232.db2.gz	NXGSXROJOVXBSB-RCOVLWMOSA-N	0	3	226.257	1.345	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2F)N1	ZINC000000090284	344328844	/nfs/dbraw/zinc/32/88/44/344328844.db2.gz	QGDNPJMOWINWST-ONGXEEELSA-N	0	3	238.218	1.422	50	5		BDBAHN
CN(C)CCOc1ccccc1[N+](=O)[O-]	ZINC000004915087	384211578	/nfs/dbraw/zinc/21/15/78/384211578.db2.gz	NKOUICYJAYSNCC-UHFFFAOYSA-N	0	3	210.233	1.535	50	5		BDBAHN
COC(=O)C[C@H](N)c1ccc([N+](=O)[O-])cc1	ZINC000095093382	384813472	/nfs/dbraw/zinc/81/34/72/384813472.db2.gz	JGLLZWBBGQKLKV-VIFPVBQESA-N	0	3	224.216	1.158	50	5		BDBAHN
Cc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000015443359	132323061	/nfs/dbraw/zinc/32/30/61/132323061.db2.gz	GVXFGLBTILOVGB-UHFFFAOYSA-N	0	3	221.260	1.313	50	5		BDBAHN
CC(C)Oc1ccc([N+](=O)[O-])cc1CN	ZINC000035414597	167302299	/nfs/dbraw/zinc/30/22/99/167302299.db2.gz	UBPXWPDUNWLUSQ-UHFFFAOYSA-N	0	3	210.233	1.841	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2F)N1	ZINC000000090285	344328563	/nfs/dbraw/zinc/32/85/63/344328563.db2.gz	QGDNPJMOWINWST-GXSJLCMTSA-N	0	3	238.218	1.422	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](C2CCCCC2)N1	ZINC000000100964	344404874	/nfs/dbraw/zinc/40/48/74/344404874.db2.gz	FZTTVMXAWJJCSB-ONGXEEELSA-N	0	3	226.276	1.491	50	5		BDBAHN
COC[C@H](C)NCc1cccc([N+](=O)[O-])c1	ZINC000004133274	353145555	/nfs/dbraw/zinc/14/55/55/353145555.db2.gz	BVFCWIVZJMNHLS-VIFPVBQESA-N	0	3	224.260	1.719	50	5		BDBAHN
O=[N+]([O-])c1ccc(Cl)c(N2CCNCC2)c1	ZINC000000036169	132292385	/nfs/dbraw/zinc/29/23/85/132292385.db2.gz	MXEGLLSIGXCAKD-UHFFFAOYSA-N	0	3	241.678	1.658	50	5		BDBAHN
O=[N+]([O-])c1cccc(F)c1N1CCNCC1	ZINC000067800720	132390515	/nfs/dbraw/zinc/39/05/15/132390515.db2.gz	LADNFZMLQLQVFU-UHFFFAOYSA-N	0	3	225.223	1.144	50	5		BDBAHN
CN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000000238053	173017179	/nfs/dbraw/zinc/01/71/79/173017179.db2.gz	HUZRGROIJCBIHJ-UHFFFAOYSA-N	0	3	249.314	1.732	50	5		BDBAHN
Cc1nc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000096492839	180001480	/nfs/dbraw/zinc/00/14/80/180001480.db2.gz	XAPBNGBWBKHQER-UHFFFAOYSA-N	0	3	236.275	1.048	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2)N1	ZINC000001301199	353131372	/nfs/dbraw/zinc/13/13/72/353131372.db2.gz	GAGVVGLUMJMUDP-ONGXEEELSA-N	0	3	220.228	1.283	50	5		BDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1	ZINC000003877866	132315766	/nfs/dbraw/zinc/31/57/66/132315766.db2.gz	UBLZWKCJZSDBGQ-AOOOYVTPSA-N	0	3	235.287	1.781	50	5		BDBAHN
CN(C)CCOC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000104840	188098597	/nfs/dbraw/zinc/09/85/97/188098597.db2.gz	VQDYTUAKUJNACF-UHFFFAOYSA-N	0	3	238.243	1.313	50	5		BDBAHN
Cc1ccc(OCCN(C)C)c([N+](=O)[O-])c1	ZINC000004907378	384201828	/nfs/dbraw/zinc/20/18/28/384201828.db2.gz	VMLDVCLAWICHJF-UHFFFAOYSA-N	0	3	224.260	1.844	50	5		BDBAHN
CNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004674650	132316615	/nfs/dbraw/zinc/31/66/15/132316615.db2.gz	VDNHQWNTYVPQQL-UHFFFAOYSA-N	0	3	236.275	1.046	50	5		BDBAHN
CN(C)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005668199	172478181	/nfs/dbraw/zinc/47/81/81/172478181.db2.gz	VFEKCHHDYHKZMK-UHFFFAOYSA-N	0	3	239.231	1.607	50	5		BDBAHN
CNCc1cc([N+](=O)[O-])ccc1Cl	ZINC000004218910	173387368	/nfs/dbraw/zinc/38/73/68/173387368.db2.gz	YRTNCUPHKWUHMQ-UHFFFAOYSA-N	0	3	200.625	1.968	50	5	in-vitro	BDBAHN
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CO)cc1	ZINC000000213004	344638442	/nfs/dbraw/zinc/63/84/42/344638442.db2.gz	DVGSEEFTCOOVQE-GFCCVEGCSA-N	0	3	236.271	1.552	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2)N1	ZINC000001301200	353131036	/nfs/dbraw/zinc/13/10/36/353131036.db2.gz	GAGVVGLUMJMUDP-GXSJLCMTSA-N	0	3	220.228	1.283	50	5		BDBAHN
CCCN(CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000000215708	169166365	/nfs/dbraw/zinc/16/63/65/169166365.db2.gz	RDNBSWVMGMMAPX-UHFFFAOYSA-N	0	3	238.287	1.799	50	5		BDBAHN
O=[N+]([O-])c1ccc(CCN2CC[C@@H](O)C2)cc1	ZINC000061708271	384671081	/nfs/dbraw/zinc/67/10/81/384671081.db2.gz	JKOWMDIPYUTDPO-GFCCVEGCSA-N	0	3	236.271	1.204	50	5		BDBAHN
Cc1ccc(OC2CNC2)c([N+](=O)[O-])c1	ZINC000042770044	388445534	/nfs/dbraw/zinc/44/55/34/388445534.db2.gz	CCBYPEAPXRXPBG-UHFFFAOYSA-N	0	3	208.217	1.254	50	5		BDBAHN
Cc1cc([N+](=O)[O-])ccc1N1CCNCC1	ZINC000004344177	132316422	/nfs/dbraw/zinc/31/64/22/132316422.db2.gz	OVKXEUNBXUPEAP-UHFFFAOYSA-N	0	3	221.260	1.313	50	5		BDBAHN
CN(C)CCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000446294	491133181	/nfs/dbraw/zinc/13/31/81/491133181.db2.gz	SJICOWGLWXIDAC-UHFFFAOYSA-N	0	3	222.244	1.729	50	5		BDBAHN
CN(C)CCOc1ccc([N+](=O)[O-])cc1	ZINC000004906830	384089135	/nfs/dbraw/zinc/08/91/35/384089135.db2.gz	YHVRYYYYYRDIAL-UHFFFAOYSA-N	0	3	210.233	1.535	50	5		BDBAHN
COC(=O)C[C@@H](N)c1ccc([N+](=O)[O-])cc1	ZINC000095093383	388759387	/nfs/dbraw/zinc/75/93/87/388759387.db2.gz	JGLLZWBBGQKLKV-SECBINFHSA-N	0	3	224.216	1.158	50	5		BDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1	ZINC000015443161	132323015	/nfs/dbraw/zinc/32/30/15/132323015.db2.gz	CPSPDIOZYSRWAZ-QMMMGPOBSA-N	0	3	239.250	1.532	50	5		BDBAHN
C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1	ZINC000015443287	132323017	/nfs/dbraw/zinc/32/30/17/132323017.db2.gz	VOCWNIASSFCCMH-MRVPVSSYSA-N	0	3	239.250	1.532	50	5		BDBAHN
CN1CCCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000005689588	173019719	/nfs/dbraw/zinc/01/97/19/173019719.db2.gz	AMISZBKTTDDBEP-UHFFFAOYSA-N	0	3	235.287	1.737	50	5		BDBAHN
CC([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000000167808	177032029	/nfs/dbraw/zinc/03/20/29/177032029.db2.gz	FCWYFQGGRBDNRW-HZGVNTEJSA-N	0	3	207.185	1.563	50	5		BDBAHN
COC(=O)C[C@H](N)c1cccc([N+](=O)[O-])c1	ZINC000015440691	352970557	/nfs/dbraw/zinc/97/05/57/352970557.db2.gz	WCYSVIMUYDWOPM-VIFPVBQESA-N	0	3	224.216	1.158	50	5		BDBAHN
CN1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1	ZINC000061997472	173000031	/nfs/dbraw/zinc/00/00/31/173000031.db2.gz	KJICJWSSVFRTPO-UHFFFAOYSA-N	0	3	237.259	1.463	50	5		BDBAHN
CC([C@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000000167807	176012386	/nfs/dbraw/zinc/01/23/86/176012386.db2.gz	FCWYFQGGRBDNRW-IMTBSYHQSA-N	0	3	207.185	1.563	50	5		BDBAHN
COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1	ZINC000002768531	371654033	/nfs/dbraw/zinc/65/40/33/371654033.db2.gz	SJNSLXDMVRQGGZ-VIFPVBQESA-N	0	3	224.260	1.719	50	5		BDBAHN
O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)nc1	ZINC000241383549	527362310	/nfs/dbraw/zinc/36/23/10/527362310.db2.gz	MWDDCGZNPYCEBU-NSHDSACASA-N	0	3	248.286	1.274	50	5		BDBAHN
COC[C@@H](C)NCc1ccccc1[N+](=O)[O-]	ZINC000054991789	398285455	/nfs/dbraw/zinc/28/54/55/398285455.db2.gz	PVMCZLMYYOZXCK-SECBINFHSA-N	0	3	224.260	1.719	50	5		BDBAHN
O=[N+]([O-])c1nccn1CNc1ccncc1	ZINC000001513143	346210501	/nfs/dbraw/zinc/21/05/01/346210501.db2.gz	FFBDPLJNWRUVLJ-UHFFFAOYSA-N	0	3	219.204	1.256	50	5		BDBAHN
O=[N+]([O-])c1ccc(CSC2=NCCN2)cc1	ZINC000002825734	371669459	/nfs/dbraw/zinc/66/94/59/371669459.db2.gz	HLDWQAGDITYLRA-UHFFFAOYSA-N	0	3	237.284	1.787	50	5		BDBAHN
CCCN(CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000023281463	169167682	/nfs/dbraw/zinc/16/76/82/169167682.db2.gz	CYTBTUFVURJHOP-UHFFFAOYSA-N	0	3	238.287	1.799	50	5		BDBAHN
C[C@H](CO)N(C)CCc1ccc([N+](=O)[O-])cc1	ZINC000135504336	385033018	/nfs/dbraw/zinc/03/30/18/385033018.db2.gz	GHRIFHTYMWZIIM-SNVBAGLBSA-N	0	3	238.287	1.450	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H]([C@@H]2CC=CCC2)N1	ZINC000169355938	387266694	/nfs/dbraw/zinc/26/66/94/387266694.db2.gz	CGLPKGVDOFMFCQ-WCABBAIRSA-N	0	3	224.260	1.267	50	5		BDBAHN
O=[N+]([O-])c1ccc(CN2CCC[C@H]2CO)cc1	ZINC000000212995	344639697	/nfs/dbraw/zinc/63/96/97/344639697.db2.gz	DVGSEEFTCOOVQE-LBPRGKRZSA-N	0	3	236.271	1.552	50	5		BDBAHN
O=[N+]([O-])c1cn(CNc2ccncc2)cn1	ZINC000003179020	346227237	/nfs/dbraw/zinc/22/72/37/346227237.db2.gz	BHCPAESEXOKRKC-UHFFFAOYSA-N	0	3	219.204	1.256	50	5		BDBAHN
O=[N+]([O-])c1cncn1CNc1ccncc1	ZINC000005491595	346265363	/nfs/dbraw/zinc/26/53/63/346265363.db2.gz	ANTNLEQCSGIAAZ-UHFFFAOYSA-N	0	3	219.204	1.256	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2F)N1	ZINC000000090292	182747995	/nfs/dbraw/zinc/74/79/95/182747995.db2.gz	QGDNPJMOWINWST-MWLCHTKSSA-N	0	3	238.218	1.422	50	5		BDBAHN
Cc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000099339	384297674	/nfs/dbraw/zinc/29/76/74/384297674.db2.gz	DLQZVKNZVDCCIV-PWSUYJOCSA-N	0	3	234.255	1.591	50	5		BDBAHN
CO[C@H](C)CNCc1ccc([N+](=O)[O-])cc1	ZINC000167014432	385012783	/nfs/dbraw/zinc/01/27/83/385012783.db2.gz	WEKZKECPYBZNCJ-SECBINFHSA-N	0	3	224.260	1.719	50	5		BDBAHN
NCc1ccc(OCC2CC2)c([N+](=O)[O-])c1	ZINC000036765170	361397570	/nfs/dbraw/zinc/39/75/70/361397570.db2.gz	SDGHGBHAYNZPQS-UHFFFAOYSA-N	0	3	222.244	1.842	50	5		BDBAHN
CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899514	344780456	/nfs/dbraw/zinc/78/04/56/344780456.db2.gz	IFIZCLBWDPSXDM-JTQLQIEISA-N	0	3	237.259	1.517	50	5		BDBAHN
O=[N+]([O-])c1cccc(CSC2=NCCN2)c1	ZINC000009613824	370539472	/nfs/dbraw/zinc/53/94/72/370539472.db2.gz	MATHIEDKJLODTO-UHFFFAOYSA-N	0	3	237.284	1.787	50	5		BDBAHN
CN(C)CCN(C)Cc1ccccc1[N+](=O)[O-]	ZINC000004947824	384266449	/nfs/dbraw/zinc/26/64/49/384266449.db2.gz	OYVUCNQBFQMASK-UHFFFAOYSA-N	0	3	237.303	1.588	50	5		BDBAHN
CC(C)N1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000071788750	167029024	/nfs/dbraw/zinc/02/90/24/167029024.db2.gz	ZIOWRFGMACFOQB-UHFFFAOYSA-N	0	3	221.260	1.756	50	5		BDBAHN
C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1	ZINC000008535098	372753072	/nfs/dbraw/zinc/75/30/72/372753072.db2.gz	LSDVLXCTMQQSPC-MRVPVSSYSA-N	0	3	210.233	1.065	50	5		BDBAHN
C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1	ZINC000015443289	132322924	/nfs/dbraw/zinc/32/29/24/132322924.db2.gz	VOCWNIASSFCCMH-QMMMGPOBSA-N	0	3	239.250	1.532	50	5		BDBAHN
CN1CCCN(Cc2ccc([N+](=O)[O-])o2)CC1	ZINC000000237859	173016052	/nfs/dbraw/zinc/01/60/52/173016052.db2.gz	QRHPYHZVXPYGEA-UHFFFAOYSA-N	0	3	239.275	1.325	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H]([C@@H]2CC=CCC2)N1	ZINC000169355939	387266919	/nfs/dbraw/zinc/26/69/19/387266919.db2.gz	CGLPKGVDOFMFCQ-YWVKMMECSA-N	0	3	224.260	1.267	50	5		BDBAHN
CCOC(=O)C[C@H](N)c1cccc([N+](=O)[O-])c1	ZINC000053995072	170233797	/nfs/dbraw/zinc/23/37/97/170233797.db2.gz	VDXTZDRXJICHPV-JTQLQIEISA-N	0	3	238.243	1.548	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H]([C@H]2CC=CCC2)N1	ZINC000013468599	342939038	/nfs/dbraw/zinc/93/90/38/342939038.db2.gz	CGLPKGVDOFMFCQ-QXEWZRGKSA-N	0	3	224.260	1.267	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccs2)N1	ZINC000000088834	344245260	/nfs/dbraw/zinc/24/52/60/344245260.db2.gz	NXGSXROJOVXBSB-IMTBSYHQSA-N	0	3	226.257	1.345	50	5		BDBAHN
CC[C@H](CO)NCc1cccc([N+](=O)[O-])c1	ZINC000004850770	384166573	/nfs/dbraw/zinc/16/65/73/384166573.db2.gz	BTQOLHFXAUGYLI-SNVBAGLBSA-N	0	3	224.260	1.455	50	5		BDBAHN
CN(C)CCn1cc2cc([N+](=O)[O-])ccc2n1	ZINC000004050547	386692599	/nfs/dbraw/zinc/69/25/99/386692599.db2.gz	YFCPXZBWEHDOEW-UHFFFAOYSA-N	0	3	234.259	1.506	50	5		BDBAHN
COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1	ZINC000002577191	388345133	/nfs/dbraw/zinc/34/51/33/388345133.db2.gz	SJNSLXDMVRQGGZ-SECBINFHSA-N	0	3	224.260	1.719	50	5		BDBAHN
CN(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000002493753	388838963	/nfs/dbraw/zinc/83/89/63/388838963.db2.gz	HTTUKHGCWVKCBM-UHFFFAOYSA-N	0	3	237.303	1.588	50	5		BDBAHN
Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1	ZINC000031891173	398166354	/nfs/dbraw/zinc/16/63/54/398166354.db2.gz	BJZNYQMDYLRHPF-UHFFFAOYSA-N	0	3	204.189	1.567	50	5		BDBAHN
Cc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000099335	344329162	/nfs/dbraw/zinc/32/91/62/344329162.db2.gz	DLQZVKNZVDCCIV-CMPLNLGQSA-N	0	3	234.255	1.591	50	5		BDBAHN
C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1	ZINC000003878507	132315752	/nfs/dbraw/zinc/31/57/52/132315752.db2.gz	JLCKZYKOWUVIPC-VIFPVBQESA-N	0	3	221.260	1.393	50	5		BDBAHN
C[C@H](O)CNCc1cccc([N+](=O)[O-])c1	ZINC000008498044	176989680	/nfs/dbraw/zinc/98/96/80/176989680.db2.gz	LSDVLXCTMQQSPC-QMMMGPOBSA-N	0	3	210.233	1.065	50	5		BDBAHN
Cc1cc(OC2CNC2)ccc1[N+](=O)[O-]	ZINC000042770051	178208500	/nfs/dbraw/zinc/20/85/00/178208500.db2.gz	YVVRIDRDZQHWAB-UHFFFAOYSA-N	0	3	208.217	1.254	50	5		BDBAHN
Cc1cc(OCCN(C)C)ccc1[N+](=O)[O-]	ZINC000004907277	178211289	/nfs/dbraw/zinc/21/12/89/178211289.db2.gz	UZWDAOAVUZPXDA-UHFFFAOYSA-N	0	3	224.260	1.844	50	5		BDBAHN
CN(CCNc1ccc([N+](=O)[O-])cn1)C1CC1	ZINC000048325733	343243174	/nfs/dbraw/zinc/24/31/74/343243174.db2.gz	LQPDQKZUYCOQBR-UHFFFAOYSA-N	0	3	236.275	1.496	50	5		BDBAHN
CN(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004724953	343975338	/nfs/dbraw/zinc/97/53/38/343975338.db2.gz	RRBKMLUDXQSRPO-UHFFFAOYSA-N	0	3	238.243	1.313	50	5		BDBAHN
COC[C@@H](C)NCc1cccc([N+](=O)[O-])c1	ZINC000004133277	386522492	/nfs/dbraw/zinc/52/24/92/386522492.db2.gz	BVFCWIVZJMNHLS-SECBINFHSA-N	0	3	224.260	1.719	50	5		BDBAHN
Cc1cc(N2CCNCC2)c([N+](=O)[O-])cc1F	ZINC000063110921	132389414	/nfs/dbraw/zinc/38/94/14/132389414.db2.gz	WIKMQZJCOQEDJF-UHFFFAOYSA-N	0	3	239.250	1.452	50	5		BDBAHN
CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000078555839	170125829	/nfs/dbraw/zinc/12/58/29/170125829.db2.gz	GNSFCOJJNKSQKI-UHFFFAOYSA-N	0	3	240.259	1.722	50	5		BDBAHN
C[N+](C)(C)CCCNC(=O)c1ccccc1[O-]	ZINC000005696877	384127880	/nfs/dbraw/zinc/12/78/80/384127880.db2.gz	LESBDANBZRIUMW-UHFFFAOYSA-O	0	3	237.323	1.218	50	5		BDBAHN
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1	ZINC000003878506	132315769	/nfs/dbraw/zinc/31/57/69/132315769.db2.gz	JLCKZYKOWUVIPC-SECBINFHSA-N	0	3	221.260	1.393	50	5		BDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1	ZINC000015443160	132322893	/nfs/dbraw/zinc/32/28/93/132322893.db2.gz	CPSPDIOZYSRWAZ-MRVPVSSYSA-N	0	3	239.250	1.532	50	5		BDBAHN
CC(C)Oc1ccc(CN)cc1[N+](=O)[O-]	ZINC000034960525	167292184	/nfs/dbraw/zinc/29/21/84/167292184.db2.gz	XMKJILOOKJJDSY-UHFFFAOYSA-N	0	3	210.233	1.841	50	5		BDBAHN
CN1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000236608	173016857	/nfs/dbraw/zinc/01/68/57/173016857.db2.gz	GSSDFFATVJALPZ-UHFFFAOYSA-N	0	3	249.314	1.732	50	5		BDBAHN
COc1ccc(CNC2CC2)cc1[N+](=O)[O-]	ZINC000021010875	175105384	/nfs/dbraw/zinc/10/53/84/175105384.db2.gz	IMZMRIKZOJOWHN-UHFFFAOYSA-N	0	3	222.244	1.855	50	5		BDBAHN
Cc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000099340	344328692	/nfs/dbraw/zinc/32/86/92/344328692.db2.gz	DLQZVKNZVDCCIV-ZYHUDNBSSA-N	0	3	234.255	1.591	50	5		BDBAHN
O=[N+]([O-])c1ccc(OC2CNC2)c(Cl)c1	ZINC000042770152	374286957	/nfs/dbraw/zinc/28/69/57/374286957.db2.gz	LFPLGGPNISHGEX-UHFFFAOYSA-N	0	3	228.635	1.599	50	5		BDBAHN
O=[N+]([O-])c1cnc(N2CCNCC2)c(Cl)c1	ZINC000082550621	384302615	/nfs/dbraw/zinc/30/26/15/384302615.db2.gz	HPFXUNSJCYQVBD-UHFFFAOYSA-N	0	3	242.666	1.053	50	5		BDBAHN
NCc1ccc([N+](=O)[O-])cc1Br	ZINC000037652692	388482350	/nfs/dbraw/zinc/48/23/50/388482350.db2.gz	VMXORVQLHXOZFI-UHFFFAOYSA-N	0	3	231.049	1.816	50	5		BDBAHN
O=[N+]([O-])c1cccc(Cl)c1N1CCNCC1	ZINC000004132190	132316029	/nfs/dbraw/zinc/31/60/29/132316029.db2.gz	GKOXZZHKOZLHRQ-UHFFFAOYSA-N	0	3	241.678	1.658	50	5		BDBAHN
CC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-]	ZINC000178132243	384517189	/nfs/dbraw/zinc/51/71/89/384517189.db2.gz	UZTKXJPCDNHRRC-VIFPVBQESA-N	0	3	249.270	1.221	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2)N1	ZINC000001301202	353131119	/nfs/dbraw/zinc/13/11/19/353131119.db2.gz	GAGVVGLUMJMUDP-MWLCHTKSSA-N	0	3	220.228	1.283	50	5		BDBAHN
O=[N+]([O-])c1cc(Cl)ccc1N1CCNCC1	ZINC000003877852	132315719	/nfs/dbraw/zinc/31/57/19/132315719.db2.gz	NZFQOXSALNTRDH-UHFFFAOYSA-N	0	3	241.678	1.658	50	5		BDBAHN
CCOC(=O)C[C@@H](N)c1cccc([N+](=O)[O-])c1	ZINC000053995073	170231320	/nfs/dbraw/zinc/23/13/20/170231320.db2.gz	VDXTZDRXJICHPV-SNVBAGLBSA-N	0	3	238.243	1.548	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccs2)N1	ZINC000000088839	344244778	/nfs/dbraw/zinc/24/47/78/344244778.db2.gz	NXGSXROJOVXBSB-HZGVNTEJSA-N	0	3	226.257	1.345	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](C2CCCCC2)N1	ZINC000000100965	182753499	/nfs/dbraw/zinc/75/34/99/182753499.db2.gz	FZTTVMXAWJJCSB-GXSJLCMTSA-N	0	3	226.276	1.491	50	5		BDBAHN
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1	ZINC000003877872	132315710	/nfs/dbraw/zinc/31/57/10/132315710.db2.gz	WJUYWKJVECSDQD-AOOOYVTPSA-N	0	3	235.287	1.781	50	5		BDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1	ZINC000003877869	132315881	/nfs/dbraw/zinc/31/58/81/132315881.db2.gz	UBLZWKCJZSDBGQ-NXEZZACHSA-N	0	3	235.287	1.781	50	5		BDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c(Cl)c1	ZINC000004131901	132316051	/nfs/dbraw/zinc/31/60/51/132316051.db2.gz	JNUWBYPJOBSXDN-UHFFFAOYSA-N	0	3	241.678	1.658	50	5		BDBAHN
O=[N+]([O-])c1cccc(N2CCNCC2)c1	ZINC000004244898	132316467	/nfs/dbraw/zinc/31/64/67/132316467.db2.gz	LHHZRIYUOZPKSG-UHFFFAOYSA-N	0	3	207.233	1.004	50	5	in-vivo	BDBAHN
O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)nc1	ZINC000024660043	132333144	/nfs/dbraw/zinc/33/31/44/132333144.db2.gz	MWDDCGZNPYCEBU-LLVKDONJSA-N	0	3	248.286	1.274	50	5		BDBAHN
COCCNCc1cccc([N+](=O)[O-])c1	ZINC000006169815	174336426	/nfs/dbraw/zinc/33/64/26/174336426.db2.gz	SFRPTLAPYFUORQ-UHFFFAOYSA-N	0	3	210.233	1.331	50	5		BDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1	ZINC000003860568	132315715	/nfs/dbraw/zinc/31/57/15/132315715.db2.gz	VWOJSRICSKDKAW-UHFFFAOYSA-N	0	3	207.233	1.004	50	5		BDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000004118967	132316055	/nfs/dbraw/zinc/31/60/55/132316055.db2.gz	RINDRBNZJSXBCH-SECBINFHSA-N	0	3	221.260	1.393	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@@H]([C@H]2CC=CCC2)N1	ZINC000001046042	350992808	/nfs/dbraw/zinc/99/28/08/350992808.db2.gz	CGLPKGVDOFMFCQ-ATZCPNFKSA-N	0	3	224.260	1.267	50	5		BDBAHN
O=[N+]([O-])c1ccccc1N1CCNCC1	ZINC000003887431	132315743	/nfs/dbraw/zinc/31/57/43/132315743.db2.gz	YJRCDSXLKPERNV-UHFFFAOYSA-N	0	3	207.233	1.004	50	5		BDBAHN
Cc1cc([N+](=O)[O-])cnc1SCCN(C)C	ZINC000092675629	178274915	/nfs/dbraw/zinc/27/49/15/178274915.db2.gz	JSOIYQUOHANHTA-UHFFFAOYSA-N	0	3	241.316	1.952	50	5		BDBAHN
Cc1nc(SCCN(C)C)ccc1[N+](=O)[O-]	ZINC000089537037	180031313	/nfs/dbraw/zinc/03/13/13/180031313.db2.gz	KNXRLAYDJVKUNE-UHFFFAOYSA-N	0	3	241.316	1.952	50	5		BDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2)N1	ZINC000001301201	353131092	/nfs/dbraw/zinc/13/10/92/353131092.db2.gz	GAGVVGLUMJMUDP-KOLCDFICSA-N	0	3	220.228	1.283	50	5		BDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000004118969	132316150	/nfs/dbraw/zinc/31/61/50/132316150.db2.gz	RINDRBNZJSXBCH-VIFPVBQESA-N	0	3	221.260	1.393	50	5		BDBAHN
CC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000021951846	132332107	/nfs/dbraw/zinc/33/21/07/132332107.db2.gz	GHEDOFZBDHZHEP-UHFFFAOYSA-N	0	3	249.270	1.207	50	5		BDBAHN
CN(C)CCNc1ccc([N+](=O)[O-])c(N)c1	ZINC000095929100	172470119	/nfs/dbraw/zinc/47/01/19/172470119.db2.gz	ONOIUGPRZXRGRS-UHFFFAOYSA-N	0	3	224.264	1.151	50	5		BDBAHN
CC([C@@H]1OC(=O)c2ccccc21)[N+](=O)[O-]	ZINC000000167803	176011798	/nfs/dbraw/zinc/01/17/98/176011798.db2.gz	FCWYFQGGRBDNRW-RCOVLWMOSA-N	0	3	207.185	1.563	50	5		BDBAHN