smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N(CCN(C)C)C(C)C)ncc1[N+](=O)[O-]	ZINC000095945010	185037953	/nfs/dbraw/zinc/03/79/53/185037953.db2.gz	BAKCAWNGPLXXGQ-UHFFFAOYSA-N	0	3	266.345	2.075	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000069926322	363013129	/nfs/dbraw/zinc/01/31/29/363013129.db2.gz	GGZRWDZSFKITAK-FZMZJTMJSA-N	0	3	264.325	2.330	50	5		CEBAHN
C[C@H](N[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000097038555	364428809	/nfs/dbraw/zinc/42/88/09/364428809.db2.gz	LPGOJGXFGVFPPW-GWCFXTLKSA-N	0	3	250.298	2.424	50	5		CEBAHN
O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C=C[C@H](CO)C1)CCC2	ZINC000192966980	369877069	/nfs/dbraw/zinc/87/70/69/369877069.db2.gz	FULATJZLRXIPDV-GHJWDPDVSA-N	0	3	288.347	2.499	50	5		CEBAHN
CC(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C	ZINC000074136787	176510558	/nfs/dbraw/zinc/51/05/58/176510558.db2.gz	SPQBKEZHGVOLOH-GFCCVEGCSA-N	0	3	293.367	2.301	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000069780173	363000718	/nfs/dbraw/zinc/00/07/18/363000718.db2.gz	PQADJTWGONLIHB-CHWSQXEVSA-N	0	3	294.351	2.209	50	5		CEBAHN
O=[N+]([O-])c1cccc(CNCCOc2ccccn2)c1	ZINC000045945463	175387769	/nfs/dbraw/zinc/38/77/69/175387769.db2.gz	IXAFLOYUSCACAZ-UHFFFAOYSA-N	0	3	273.292	2.158	50	5		CEBAHN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](C)C1	ZINC000046952349	362191941	/nfs/dbraw/zinc/19/19/41/362191941.db2.gz	PVBSOHNLWAHLJX-MNOVXSKESA-N	0	3	295.339	2.038	50	5		CEBAHN
Cc1ccnc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-]	ZINC000133552170	366235721	/nfs/dbraw/zinc/23/57/21/366235721.db2.gz	FGDPXEMIHPAZRY-GHMZBOCLSA-N	0	3	276.340	2.335	50	5		CEBAHN
CCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-]	ZINC000000195201	361143443	/nfs/dbraw/zinc/14/34/43/361143443.db2.gz	NIBKKVQFPVDZES-UHFFFAOYSA-N	0	3	281.337	2.186	50	5		CEBAHN
O=C(CNC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004181884	361304070	/nfs/dbraw/zinc/30/40/70/361304070.db2.gz	XMZVUMXCMBGCRM-UHFFFAOYSA-N	0	3	277.324	2.456	50	5		CEBAHN
C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1	ZINC000004406362	361316542	/nfs/dbraw/zinc/31/65/42/361316542.db2.gz	XPYGLMJMRRVFAU-QMMMGPOBSA-N	0	3	289.257	2.412	50	5		CEBAHN
CN1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1	ZINC000248789977	371245895	/nfs/dbraw/zinc/24/58/95/371245895.db2.gz	XDJXMUCHBUTNLS-HZMBPMFUSA-N	0	3	279.315	2.264	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N1	ZINC000000221451	296330442	/nfs/dbraw/zinc/33/04/42/296330442.db2.gz	VYMIHEBRKGBIJG-ONGXEEELSA-N	0	3	299.124	2.046	50	5		CEBAHN
CCCCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000007777002	170301754	/nfs/dbraw/zinc/30/17/54/170301754.db2.gz	CMBBFQJLEXBDNP-SNVBAGLBSA-N	0	3	265.313	2.312	50	5		CEBAHN
CC(C)(C)CNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004703655	273497964	/nfs/dbraw/zinc/49/79/64/273497964.db2.gz	JOQNZYDQFZLBHC-UHFFFAOYSA-N	0	3	292.383	2.462	50	5		CEBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)N1	ZINC000003877880	274364672	/nfs/dbraw/zinc/36/46/72/274364672.db2.gz	UEIVDYVQWOFTJP-RKDXNWHRSA-N	0	3	269.732	2.435	50	5		CEBAHN
O=[N+]([O-])c1cccc(OCNCCCCCCO)c1	ZINC000059606993	362651033	/nfs/dbraw/zinc/65/10/33/362651033.db2.gz	CAQAHPCFWVQNTI-UHFFFAOYSA-N	0	3	268.313	2.073	50	5		CEBAHN
O=[N+]([O-])C1[C@H](O)c2ccccc2O[C@H]1c1ccccc1	ZINC000004114268	361301824	/nfs/dbraw/zinc/30/18/24/361301824.db2.gz	XVWSCHIGUVCLPQ-ZNMIVQPWSA-N	0	3	271.272	2.499	50	5		CEBAHN
CN(C)CCSc1nnc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000006549438	170212188	/nfs/dbraw/zinc/21/21/88/170212188.db2.gz	QTIJGXOWOGDDLX-UHFFFAOYSA-N	0	3	294.336	2.299	50	5		CEBAHN
NC(=O)c1cccc(CCNCc2cccc([N+](=O)[O-])c2)c1	ZINC000078553647	177353842	/nfs/dbraw/zinc/35/38/42/177353842.db2.gz	ZPBLRBFCXMBRMF-UHFFFAOYSA-N	0	3	299.330	2.026	50	5		CEBAHN
Cc1c(NC(=O)N(C)[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-]	ZINC000585141822	345007708	/nfs/dbraw/zinc/00/77/08/345007708.db2.gz	YZJIHTPNMBHBMM-LLVKDONJSA-N	0	3	292.339	2.071	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000069847662	363009052	/nfs/dbraw/zinc/00/90/52/363009052.db2.gz	IHQHNXIBGQDGFC-YPMHNXCESA-N	0	3	264.325	2.330	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000070038433	363023394	/nfs/dbraw/zinc/02/33/94/363023394.db2.gz	TYCUZDCDMBIQQW-BXUZGUMPSA-N	0	3	264.325	2.330	50	5		CEBAHN
Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000153647358	188094944	/nfs/dbraw/zinc/09/49/44/188094944.db2.gz	SMGOGXZHEUMFDA-LBPRGKRZSA-N	0	3	292.339	2.071	50	5		CEBAHN
CC(C)N1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1	ZINC000024208324	361608163	/nfs/dbraw/zinc/60/81/63/361608163.db2.gz	IXZLWQRNVRFAMW-UHFFFAOYSA-N	0	3	278.356	2.299	50	5		CEBAHN
C[C@H](O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000089894284	364013736	/nfs/dbraw/zinc/01/37/36/364013736.db2.gz	FEVLYJRVPNWSPI-AAEUAGOBSA-N	0	3	264.325	2.188	50	5		CEBAHN
CC(=O)c1ccc(N2CC[C@H](N(C)C)[C@H]2C)c([N+](=O)[O-])c1	ZINC000314851716	376785265	/nfs/dbraw/zinc/78/52/65/376785265.db2.gz	DPRRXNHTHZAVNC-MFKMUULPSA-N	0	3	291.351	2.326	50	5		CEBAHN
O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1CO	ZINC000004985399	170048813	/nfs/dbraw/zinc/04/88/13/170048813.db2.gz	HTLIFIOVEGAHAR-YIALFULDSA-N	0	3	262.309	2.065	50	5		CEBAHN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1C	ZINC000045913805	175386306	/nfs/dbraw/zinc/38/63/06/175386306.db2.gz	ZTBCEXKBNRXGIN-MNOVXSKESA-N	0	3	295.339	2.181	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc3ccccc32)N1	ZINC000000105425	280260430	/nfs/dbraw/zinc/26/04/30/280260430.db2.gz	VSTQRSGTVPVEOS-DZGCQCFKSA-N	0	3	270.288	2.436	50	5		CEBAHN
CC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000097033677	185155637	/nfs/dbraw/zinc/15/56/37/185155637.db2.gz	UAOXFTQRSKCMOI-CMPLNLGQSA-N	0	3	252.314	2.325	50	5		CEBAHN
CSc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103393	361129466	/nfs/dbraw/zinc/12/94/66/361129466.db2.gz	KGPRPRLZOPUBMT-JQWIXIFHSA-N	0	3	266.322	2.005	50	5		CEBAHN
CCN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000002862969	361255534	/nfs/dbraw/zinc/25/55/34/361255534.db2.gz	DAMOQIGCMQRNJO-UHFFFAOYSA-N	0	3	293.367	2.001	50	5		CEBAHN
Cc1c([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-]	ZINC000097370957	364492800	/nfs/dbraw/zinc/49/28/00/364492800.db2.gz	GYBQPIHJKBOOOA-FRRDWIJNSA-N	0	3	276.336	2.491	50	5		CEBAHN
CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C	ZINC000270667531	372891299	/nfs/dbraw/zinc/89/12/99/372891299.db2.gz	QLGJJNHTKZGXQJ-KBPBESRZSA-N	0	3	295.408	2.072	50	5		CEBAHN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1C	ZINC000045913806	175386047	/nfs/dbraw/zinc/38/60/47/175386047.db2.gz	ZTBCEXKBNRXGIN-QWRGUYRKSA-N	0	3	295.339	2.181	50	5		CEBAHN
CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CC)CCO	ZINC000079075340	343972656	/nfs/dbraw/zinc/97/26/56/343972656.db2.gz	BOHQZKLZYDRFNL-GFCCVEGCSA-N	0	3	296.367	2.492	50	5		CEBAHN
Cc1ccc2c(c1)[C@H](NCCn1cc([N+](=O)[O-])cn1)CC2	ZINC000090538348	539768080	/nfs/dbraw/zinc/76/80/80/539768080.db2.gz	GSRNQLOMVUXTSO-OAHLLOKOSA-N	0	3	286.335	2.377	50	5		CEBAHN
C[C@H](O)[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000069926330	363013675	/nfs/dbraw/zinc/01/36/75/363013675.db2.gz	GGZRWDZSFKITAK-SMDDNHRTSA-N	0	3	264.325	2.330	50	5		CEBAHN
CCCCOc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000004152258	361303143	/nfs/dbraw/zinc/30/31/43/361303143.db2.gz	ATMZHVLDKMDMSD-IUODEOHRSA-N	0	3	292.335	2.462	50	5		CEBAHN
O=c1cc(CNCCO)c2c(ccc3ccccc32)o1	ZINC000008123169	170320096	/nfs/dbraw/zinc/32/00/96/170320096.db2.gz	WDGUMVZNIMTXPD-UHFFFAOYSA-N	0	3	269.300	2.028	50	5		CEBAHN
O=[N+]([O-])c1ccccc1CN1CCCC[C@H]1CCO	ZINC000016513794	170700817	/nfs/dbraw/zinc/70/08/17/170700817.db2.gz	DNQFUKZVUDSZMN-ZDUSSCGKSA-N	0	3	264.325	2.332	50	5		CEBAHN
O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)nc1	ZINC000045026695	275036269	/nfs/dbraw/zinc/03/62/69/275036269.db2.gz	KVIJVQJZYRPVSH-UHFFFAOYSA-N	0	3	276.340	2.054	50	5		CEBAHN
Cc1cc(NC[C@@H](C)CO)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083814	364443576	/nfs/dbraw/zinc/44/35/76/364443576.db2.gz	PLMNKJSUDWXLPS-SECBINFHSA-N	0	3	275.308	2.492	50	5		CEBAHN
CC(=O)c1ccc(N2CC[C@H](N(C)C)[C@@H]2C)c([N+](=O)[O-])c1	ZINC000314851713	376786115	/nfs/dbraw/zinc/78/61/15/376786115.db2.gz	DPRRXNHTHZAVNC-GWCFXTLKSA-N	0	3	291.351	2.326	50	5		CEBAHN
C[C@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)N1	ZINC000000258649	394449334	/nfs/dbraw/zinc/44/93/34/394449334.db2.gz	HZFONUHGJQMUKR-IUCAKERBSA-N	0	3	269.732	2.435	50	5		CEBAHN
O=[N+]([O-])c1cc2c(cc1CNC1CCCC1)OCO2	ZINC000004715667	170004216	/nfs/dbraw/zinc/00/42/16/170004216.db2.gz	VXAXPIADNWFANY-UHFFFAOYSA-N	0	3	264.281	2.356	50	5		CEBAHN
CC(C)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000004170503	361303490	/nfs/dbraw/zinc/30/34/90/361303490.db2.gz	UICCYQOGNIFIEN-UHFFFAOYSA-N	0	3	263.341	2.121	50	5		CEBAHN
CNC(=O)C(C)(C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000170594419	188673487	/nfs/dbraw/zinc/67/34/87/188673487.db2.gz	MOWATVHCFBNPCE-LLVKDONJSA-N	0	3	293.367	2.326	50	5		CEBAHN
C[C@@H]1C[C@@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012804070	361400528	/nfs/dbraw/zinc/40/05/28/361400528.db2.gz	OOGCEBOIIPQYGL-GHMZBOCLSA-N	0	3	291.351	2.172	50	5		CEBAHN
Cc1ccc(F)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1	ZINC000006413426	170199594	/nfs/dbraw/zinc/19/95/94/170199594.db2.gz	ZHLZQFHUHMKEQK-UHFFFAOYSA-N	0	3	264.216	2.018	50	5		CEBAHN
CCCCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000007777001	170301580	/nfs/dbraw/zinc/30/15/80/170301580.db2.gz	CMBBFQJLEXBDNP-JTQLQIEISA-N	0	3	265.313	2.312	50	5		CEBAHN
COC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C(C)C	ZINC000071904924	176295761	/nfs/dbraw/zinc/29/57/61/176295761.db2.gz	LHSZFUWWVBNECU-UHFFFAOYSA-N	0	3	280.324	2.368	50	5		CEBAHN
O=[N+]([O-])c1cnc(N2CCCN3CCC[C@@H]3C2)c(Cl)c1	ZINC000071914508	275040841	/nfs/dbraw/zinc/04/08/41/275040841.db2.gz	MIMLXJWUXGRGSO-SNVBAGLBSA-N	0	3	296.758	2.318	50	5		CEBAHN
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1	ZINC000004005708	278802599	/nfs/dbraw/zinc/80/25/99/278802599.db2.gz	GIRKMKZFBUAZMN-MRVPVSSYSA-N	0	3	255.705	2.046	50	5		CEBAHN
Cc1cc(N2CCN[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-]	ZINC000952881297	815075995	/nfs/dbraw/zinc/07/59/95/815075995.db2.gz	GIYFKCZMQHFBQH-AWEZNQCLSA-N	0	3	298.346	2.449	50	5		CEBAHN
CCN1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000084780043	539528803	/nfs/dbraw/zinc/52/88/03/539528803.db2.gz	RRFYXGZJGWJEBT-CYBMUJFWSA-N	0	3	292.339	2.153	50	5		CEBAHN
CCCOc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000002479082	361235652	/nfs/dbraw/zinc/23/56/52/361235652.db2.gz	KVLKACSEXGPRLX-OCCSQVGLSA-N	0	3	278.308	2.072	50	5		CEBAHN
CC(C)c1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000107304	394448111	/nfs/dbraw/zinc/44/81/11/394448111.db2.gz	KAELMYGEWHEWBH-TZMCWYRMSA-N	0	3	262.309	2.406	50	5		CEBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1	ZINC000003878504	274364648	/nfs/dbraw/zinc/36/46/48/274364648.db2.gz	CNROPYCGZCFWJI-MRVPVSSYSA-N	0	3	255.705	2.046	50	5		CEBAHN
CC(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1	ZINC000048262399	362252189	/nfs/dbraw/zinc/25/21/89/362252189.db2.gz	CMDQBFVBZNNFEN-UHFFFAOYSA-N	0	3	277.324	2.304	50	5		CEBAHN
CCN1CCC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000024237981	361609362	/nfs/dbraw/zinc/60/93/62/361609362.db2.gz	IFITVXGNPLLYRB-UHFFFAOYSA-N	0	3	292.339	2.201	50	5		CEBAHN
CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000170594420	367382679	/nfs/dbraw/zinc/38/26/79/367382679.db2.gz	MOWATVHCFBNPCE-NSHDSACASA-N	0	3	293.367	2.326	50	5		CEBAHN
Cc1cc(OCCN2CCCC2)ccc1[N+](=O)[O-]	ZINC000004845194	170029641	/nfs/dbraw/zinc/02/96/41/170029641.db2.gz	RTUIDSJXWGKYHC-UHFFFAOYSA-N	0	3	250.298	2.378	50	5		CEBAHN
C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000024803367	278186980	/nfs/dbraw/zinc/18/69/80/278186980.db2.gz	MBAKWSQHMKUNNO-GFCCVEGCSA-N	0	3	291.351	2.199	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000069926340	363013344	/nfs/dbraw/zinc/01/33/44/363013344.db2.gz	GGZRWDZSFKITAK-BXUZGUMPSA-N	0	3	264.325	2.330	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc(Br)c2)N1	ZINC000000115967	296326276	/nfs/dbraw/zinc/32/62/76/296326276.db2.gz	FZHWJJRTEIUGMD-KOLCDFICSA-N	0	3	299.124	2.046	50	5		CEBAHN
O=[N+]([O-])c1ccc(CCN2CCN(CC3CC3)CC2)cc1	ZINC000298783331	395364841	/nfs/dbraw/zinc/36/48/41/395364841.db2.gz	HBJFMLFBRVGMLZ-UHFFFAOYSA-N	0	3	289.379	2.165	50	5		CEBAHN
Cc1ccc(CN[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000228068498	153356304	/nfs/dbraw/zinc/35/63/04/153356304.db2.gz	GCLFEVMDWZLKTQ-GHMZBOCLSA-N	0	3	252.314	2.152	50	5		CEBAHN
COc1n[nH]c(C(=O)NC2CCCCCCC2)c1[N+](=O)[O-]	ZINC000006412845	170199493	/nfs/dbraw/zinc/19/94/93/170199493.db2.gz	VQAFEBPBGUKKFU-UHFFFAOYSA-N	0	3	296.327	2.169	50	5		CEBAHN
O=[N+]([O-])c1ccc(NCCNCc2ccccn2)cc1	ZINC000007365290	170279337	/nfs/dbraw/zinc/27/93/37/170279337.db2.gz	VKXOAZCVKMCWQX-UHFFFAOYSA-N	0	3	272.308	2.192	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N1	ZINC000000221457	280257774	/nfs/dbraw/zinc/25/77/74/280257774.db2.gz	VYMIHEBRKGBIJG-MWLCHTKSSA-N	0	3	299.124	2.046	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc3ccccc32)N1	ZINC000000105423	280260366	/nfs/dbraw/zinc/26/03/66/280260366.db2.gz	VSTQRSGTVPVEOS-ZFWWWQNUSA-N	0	3	270.288	2.436	50	5		CEBAHN
CCCCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C	ZINC000103100267	528469151	/nfs/dbraw/zinc/46/91/51/528469151.db2.gz	IWEDYJMBTBTZDU-GFCCVEGCSA-N	0	3	295.387	2.395	50	5		CEBAHN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](C)C1	ZINC000106078676	186101204	/nfs/dbraw/zinc/10/12/04/186101204.db2.gz	PVBSOHNLWAHLJX-GHMZBOCLSA-N	0	3	295.339	2.038	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1	ZINC000069926326	363014113	/nfs/dbraw/zinc/01/41/13/363014113.db2.gz	GGZRWDZSFKITAK-RISCZKNCSA-N	0	3	264.325	2.330	50	5		CEBAHN
O=[N+]([O-])c1ccc(SC2=NCCCCN2)c([N+](=O)[O-])c1	ZINC000004544071	361320575	/nfs/dbraw/zinc/32/05/75/361320575.db2.gz	CQCNSQFZNCDYMK-UHFFFAOYSA-N	0	3	296.308	2.335	50	5		CEBAHN
CCCN(CCN(C)C)C(=O)c1csc([N+](=O)[O-])c1	ZINC000084755198	363821547	/nfs/dbraw/zinc/82/15/47/363821547.db2.gz	JVSFXJMCRZGQTO-UHFFFAOYSA-N	0	3	285.369	2.070	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000089894285	364013589	/nfs/dbraw/zinc/01/35/89/364013589.db2.gz	FEVLYJRVPNWSPI-YPMHNXCESA-N	0	3	264.325	2.188	50	5		CEBAHN
CN1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1	ZINC000248789982	371245776	/nfs/dbraw/zinc/24/57/76/371245776.db2.gz	XDJXMUCHBUTNLS-YGRLFVJLSA-N	0	3	279.315	2.264	50	5		CEBAHN
Cc1cc(N2C[C@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000095983366	394674791	/nfs/dbraw/zinc/67/47/91/394674791.db2.gz	BPAKWQSJSPNXLU-RYUDHWBXSA-N	0	3	263.341	2.432	50	5		CEBAHN
CN1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000000207626	361146058	/nfs/dbraw/zinc/14/60/58/361146058.db2.gz	FOPDEDXTBCHOMR-UHFFFAOYSA-N	0	3	283.759	2.386	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000089894279	364013390	/nfs/dbraw/zinc/01/33/90/364013390.db2.gz	RTJFLALKFPESOZ-DGCLKSJQSA-N	0	3	264.325	2.188	50	5		CEBAHN
C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1	ZINC000004005709	279882055	/nfs/dbraw/zinc/88/20/55/279882055.db2.gz	GIRKMKZFBUAZMN-QMMMGPOBSA-N	0	3	255.705	2.046	50	5		CEBAHN
CC[C@](C)(CN)c1nc(-c2ccccc2[N+](=O)[O-])no1	ZINC000097022062	185153564	/nfs/dbraw/zinc/15/35/64/185153564.db2.gz	VREOWPDYMYKZHJ-CYBMUJFWSA-N	0	3	276.296	2.271	50	5		CEBAHN
CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CC)CCO	ZINC000079075333	343972762	/nfs/dbraw/zinc/97/27/62/343972762.db2.gz	BOHQZKLZYDRFNL-LBPRGKRZSA-N	0	3	296.367	2.492	50	5		CEBAHN
O=[N+]([O-])c1ccccc1CN1CCCC[C@@H]1CCO	ZINC000016513799	361490612	/nfs/dbraw/zinc/49/06/12/361490612.db2.gz	DNQFUKZVUDSZMN-CYBMUJFWSA-N	0	3	264.325	2.332	50	5		CEBAHN
Cc1cc(NC[C@H](C)CO)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083815	364442927	/nfs/dbraw/zinc/44/29/27/364442927.db2.gz	PLMNKJSUDWXLPS-VIFPVBQESA-N	0	3	275.308	2.492	50	5		CEBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1	ZINC000003878505	394453659	/nfs/dbraw/zinc/45/36/59/394453659.db2.gz	CNROPYCGZCFWJI-QMMMGPOBSA-N	0	3	255.705	2.046	50	5		CEBAHN
CCC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000040477290	174282902	/nfs/dbraw/zinc/28/29/02/174282902.db2.gz	TYMIEPQGALNLON-UHFFFAOYSA-N	0	3	291.351	2.262	50	5		CEBAHN
CCN1CCCN(Cc2csc([N+](=O)[O-])c2)CC1	ZINC000069561926	362980321	/nfs/dbraw/zinc/98/03/21/362980321.db2.gz	JPYHUVBKBMFPNM-UHFFFAOYSA-N	0	3	269.370	2.184	50	5		CEBAHN
Cc1ccnc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-]	ZINC000133552392	366235924	/nfs/dbraw/zinc/23/59/24/366235924.db2.gz	FGDPXEMIHPAZRY-MNOVXSKESA-N	0	3	276.340	2.335	50	5		CEBAHN
COCCN1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000299251134	200648985	/nfs/dbraw/zinc/64/89/85/200648985.db2.gz	SAMCZGNNLPRZHV-UHFFFAOYSA-N	0	3	293.367	2.426	50	5		CEBAHN
Cc1ccc(CNCC2([S@](C)=O)CCC2)cc1[N+](=O)[O-]	ZINC000280523511	375231235	/nfs/dbraw/zinc/23/12/35/375231235.db2.gz	BFWMPVLQXZQSIC-FQEVSTJZSA-N	0	3	296.392	2.294	50	5		CEBAHN
CCc1ccccc1NC(=O)c1[nH]nc(OC)c1[N+](=O)[O-]	ZINC000006412702	170199661	/nfs/dbraw/zinc/19/96/61/170199661.db2.gz	ZGRNBFGFBYCDHJ-UHFFFAOYSA-N	0	3	290.279	2.141	50	5		CEBAHN
C[C@H](O)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000069780171	362999832	/nfs/dbraw/zinc/99/98/32/362999832.db2.gz	PQADJTWGONLIHB-QWHCGFSZSA-N	0	3	294.351	2.209	50	5		CEBAHN
Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-]	ZINC000153647476	188095424	/nfs/dbraw/zinc/09/54/24/188095424.db2.gz	SMGOGXZHEUMFDA-GFCCVEGCSA-N	0	3	292.339	2.071	50	5		CEBAHN
O=[N+]([O-])c1cccc(CN2CCCC[C@H]2CCO)c1	ZINC000004948704	170044340	/nfs/dbraw/zinc/04/43/40/170044340.db2.gz	IHTYDVBLKIUXOX-ZDUSSCGKSA-N	0	3	264.325	2.332	50	5		CEBAHN
C[C@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000071897306	176293237	/nfs/dbraw/zinc/29/32/37/176293237.db2.gz	JNIRGWDSBQHSAA-LBPRGKRZSA-N	0	3	278.352	2.230	50	5		CEBAHN
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)N1	ZINC000003877885	278802569	/nfs/dbraw/zinc/80/25/69/278802569.db2.gz	CNBXACPESICDFY-RKDXNWHRSA-N	0	3	269.732	2.435	50	5		CEBAHN
CC(=O)OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000096034803	185068390	/nfs/dbraw/zinc/06/83/90/185068390.db2.gz	AINWLDFGFDOHFL-UHFFFAOYSA-N	0	3	292.335	2.165	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)N1	ZINC000000115985	296330427	/nfs/dbraw/zinc/33/04/27/296330427.db2.gz	LJCIZWPTTFFJTB-GXSJLCMTSA-N	0	3	288.225	2.302	50	5		CEBAHN
CCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000071912055	176297996	/nfs/dbraw/zinc/29/79/96/176297996.db2.gz	JJFHWXNBHNGIEI-NSHDSACASA-N	0	3	264.329	2.276	50	5		CEBAHN
Cc1cccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-]	ZINC000225459294	281229094	/nfs/dbraw/zinc/22/90/94/281229094.db2.gz	LOHYAEWVCGGJOD-CYBMUJFWSA-N	0	3	273.336	2.354	50	5		CEBAHN
CCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCO	ZINC000004988203	521521773	/nfs/dbraw/zinc/52/17/73/521521773.db2.gz	QEQDDDFQZYWKCB-FNORWQNLSA-N	0	3	264.325	2.312	50	5		CEBAHN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C)C1	ZINC000106078677	186101444	/nfs/dbraw/zinc/10/14/44/186101444.db2.gz	PVBSOHNLWAHLJX-WDEREUQCSA-N	0	3	295.339	2.038	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2Br)N1	ZINC000000090363	361126025	/nfs/dbraw/zinc/12/60/25/361126025.db2.gz	AWZHFUMNBBNKNS-GXSJLCMTSA-N	0	3	299.124	2.046	50	5		CEBAHN
O=[N+]([O-])c1cccc(CN[C@@H]2CCN(c3ccccn3)C2)c1	ZINC000095435723	364377433	/nfs/dbraw/zinc/37/74/33/364377433.db2.gz	IOXQXNWEQUZDQN-CQSZACIVSA-N	0	3	298.346	2.358	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(C(F)(F)F)cc2)N1	ZINC000000115989	296326112	/nfs/dbraw/zinc/32/61/12/296326112.db2.gz	LJCIZWPTTFFJTB-KOLCDFICSA-N	0	3	288.225	2.302	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)N1	ZINC000000053753	361122393	/nfs/dbraw/zinc/12/23/93/361122393.db2.gz	BUVCCOBAINSNSF-GXSJLCMTSA-N	0	3	288.225	2.302	50	5		CEBAHN
COc1ccc(-c2ccc([N+](=O)[O-])c(O)n2)c(OC)c1	ZINC000261492237	190039281	/nfs/dbraw/zinc/03/92/81/190039281.db2.gz	OEGQAMUWKKADLL-UHFFFAOYSA-N	0	3	276.248	2.380	50	5		CEBAHN
O=[N+]([O-])c1cccc(OCCN2CCCCC2)c1	ZINC000004841629	170028141	/nfs/dbraw/zinc/02/81/41/170028141.db2.gz	CZAMFZHFKJGTRV-UHFFFAOYSA-N	0	3	250.298	2.460	50	5		CEBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1	ZINC000003877878	274364677	/nfs/dbraw/zinc/36/46/77/274364677.db2.gz	UEIVDYVQWOFTJP-DTORHVGOSA-N	0	3	269.732	2.435	50	5		CEBAHN
O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(c2ccccn2)C1	ZINC000097036903	185166467	/nfs/dbraw/zinc/16/64/67/185166467.db2.gz	ZGYHYBOGRKZTPE-CQSZACIVSA-N	0	3	298.346	2.358	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000069780167	362999816	/nfs/dbraw/zinc/99/98/16/362999816.db2.gz	PQADJTWGONLIHB-STQMWFEESA-N	0	3	294.351	2.209	50	5		CEBAHN
C[C@H](NCCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000089904918	364014946	/nfs/dbraw/zinc/01/49/46/364014946.db2.gz	NHXKOLRVMDWIFB-LBPRGKRZSA-N	0	3	291.351	2.258	50	5		CEBAHN
COc1cc(NC2CCN(C)CC2)c([N+](=O)[O-])cc1C	ZINC000394461750	375328570	/nfs/dbraw/zinc/32/85/70/375328570.db2.gz	PAVVWNXBGLMGMZ-UHFFFAOYSA-N	0	3	279.340	2.418	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(C(F)(F)F)cc2)N1	ZINC000000115981	296330489	/nfs/dbraw/zinc/33/04/89/296330489.db2.gz	LJCIZWPTTFFJTB-ONGXEEELSA-N	0	3	288.225	2.302	50	5		CEBAHN
O=[N+]([O-])c1ccc(CNCCOc2ccccn2)cc1	ZINC000045945460	175387946	/nfs/dbraw/zinc/38/79/46/175387946.db2.gz	PIPIWQSGLIEZTP-UHFFFAOYSA-N	0	3	273.292	2.158	50	5		CEBAHN
Cc1c(NC(=O)[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-]	ZINC000078578543	177355971	/nfs/dbraw/zinc/35/59/71/177355971.db2.gz	YKEWHAJJUHQYHH-LLVKDONJSA-N	0	3	277.324	2.184	50	5		CEBAHN
Cc1c(CNC2(C(N)=O)CCCCC2)cccc1[N+](=O)[O-]	ZINC000078659151	177367884	/nfs/dbraw/zinc/36/78/84/177367884.db2.gz	BDWDLIUOKWWTML-UHFFFAOYSA-N	0	3	291.351	2.181	50	5		CEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)[C@@H](C)C1	ZINC000408523764	276165056	/nfs/dbraw/zinc/16/50/56/276165056.db2.gz	NAAYGBMAEVKXHR-NSHDSACASA-N	0	3	278.356	2.219	50	5		CEBAHN
CC[C@@H](C)NC(=O)CCNCc1ccc(F)c([N+](=O)[O-])c1	ZINC000095430570	364373507	/nfs/dbraw/zinc/37/35/07/364373507.db2.gz	RUMPNUYXSCMNSG-SNVBAGLBSA-N	0	3	297.330	2.128	50	5		CEBAHN
CN(Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1	ZINC000000239833	394449355	/nfs/dbraw/zinc/44/93/55/394449355.db2.gz	PNBURNGHHRAYHU-UHFFFAOYSA-N	0	3	263.341	2.121	50	5		CEBAHN
O=C(OCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000004965049	170046021	/nfs/dbraw/zinc/04/60/21/170046021.db2.gz	HCSGKVOJKWHJEK-UHFFFAOYSA-N	0	3	278.308	2.238	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2Br)N1	ZINC000000090368	361126942	/nfs/dbraw/zinc/12/69/42/361126942.db2.gz	AWZHFUMNBBNKNS-MWLCHTKSSA-N	0	3	299.124	2.046	50	5		CEBAHN
O=C(NCCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000040074569	174187306	/nfs/dbraw/zinc/18/73/06/174187306.db2.gz	HYGYZCJMLHLKQO-UHFFFAOYSA-N	0	3	291.351	2.201	50	5		CEBAHN
CN1CCCN=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004545558	276897909	/nfs/dbraw/zinc/89/79/09/276897909.db2.gz	NHQFVQZAKKRMRW-UHFFFAOYSA-N	0	3	296.308	2.287	50	5		CEBAHN
COc1ccc(CN(C)[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000095976597	185050850	/nfs/dbraw/zinc/05/08/50/185050850.db2.gz	NDTWQEMKGFYQRQ-OCCSQVGLSA-N	0	3	294.351	2.339	50	5		CEBAHN
CC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000097033678	185156089	/nfs/dbraw/zinc/15/60/89/185156089.db2.gz	UAOXFTQRSKCMOI-PWSUYJOCSA-N	0	3	252.314	2.325	50	5		CEBAHN
Cc1cc([N+](=O)[O-])cnc1N1C[C@]2(C)CN(C)C[C@@]2(C)C1	ZINC000585132659	345005682	/nfs/dbraw/zinc/00/56/82/345005682.db2.gz	JXPMZIAGKQEEKN-GJZGRUSLSA-N	0	3	290.367	2.076	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N1	ZINC000000115964	361130477	/nfs/dbraw/zinc/13/04/77/361130477.db2.gz	FZHWJJRTEIUGMD-GXSJLCMTSA-N	0	3	299.124	2.046	50	5		CEBAHN
CN1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000002490940	361235662	/nfs/dbraw/zinc/23/56/62/361235662.db2.gz	JVODLMPLVONPLT-UHFFFAOYSA-N	0	3	283.759	2.386	50	5		CEBAHN
COc1cc(CNC(C)C)c([N+](=O)[O-])cc1OC	ZINC000004685545	361327270	/nfs/dbraw/zinc/32/72/70/361327270.db2.gz	GPRLNFHIZJEIDF-UHFFFAOYSA-N	0	3	254.286	2.110	50	5		CEBAHN
CC(C)N1C[C@H]2C[C@@H]1CN2c1ccc([N+](=O)[O-])cc1	ZINC000095634838	394673555	/nfs/dbraw/zinc/67/35/55/394673555.db2.gz	IALOKGJESNPPFT-ZIAGYGMSSA-N	0	3	261.325	2.266	50	5		CEBAHN
CN1CCN(CCCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004842046	170028303	/nfs/dbraw/zinc/02/83/03/170028303.db2.gz	UDRUOXLRERGKJA-UHFFFAOYSA-N	0	3	293.367	2.001	50	5		CEBAHN
C[C@@H](c1ccccc1)N(C)CCn1cc([N+](=O)[O-])cn1	ZINC000075147463	327123401	/nfs/dbraw/zinc/12/34/01/327123401.db2.gz	MUTNERVGWVMOQA-LBPRGKRZSA-N	0	3	274.324	2.484	50	5		CEBAHN
COc1cc(NC[C@@H]2CCCN(C)C2)c(F)cc1[N+](=O)[O-]	ZINC000091483007	180167119	/nfs/dbraw/zinc/16/71/19/180167119.db2.gz	KKWKMFPKASSIEX-JTQLQIEISA-N	0	3	297.330	2.496	50	5		CEBAHN
CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C	ZINC000074136784	363298688	/nfs/dbraw/zinc/29/86/88/363298688.db2.gz	SPQBKEZHGVOLOH-LBPRGKRZSA-N	0	3	293.367	2.301	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Br)c2)N1	ZINC000000115971	361130462	/nfs/dbraw/zinc/13/04/62/361130462.db2.gz	FZHWJJRTEIUGMD-MWLCHTKSSA-N	0	3	299.124	2.046	50	5		CEBAHN
C[C@H](NC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000090843414	394656158	/nfs/dbraw/zinc/65/61/58/394656158.db2.gz	LXUBMYSFGRTNKQ-LXIMFEHMSA-N	0	3	270.354	2.012	50	5		CEBAHN
Cc1cc([N+](=O)[O-])cnc1N1C[C@@]2(C)CN(C)C[C@]2(C)C1	ZINC000585132660	345005629	/nfs/dbraw/zinc/00/56/29/345005629.db2.gz	JXPMZIAGKQEEKN-HUUCEWRRSA-N	0	3	290.367	2.076	50	5		CEBAHN
Cc1ccc2c(c1)[C@@H](NCCn1cc([N+](=O)[O-])cn1)CC2	ZINC000090538353	539767986	/nfs/dbraw/zinc/76/79/86/539767986.db2.gz	GSRNQLOMVUXTSO-HNNXBMFYSA-N	0	3	286.335	2.377	50	5		CEBAHN
O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2CCO)cc1	ZINC000004947934	170044010	/nfs/dbraw/zinc/04/40/10/170044010.db2.gz	CITTVJTYGPEOFC-CYBMUJFWSA-N	0	3	264.325	2.332	50	5		CEBAHN
O=[N+]([O-])c1ccc(NCCNCc2cccnc2)cc1	ZINC000004624184	361324079	/nfs/dbraw/zinc/32/40/79/361324079.db2.gz	UIAXTIGVHWROFO-UHFFFAOYSA-N	0	3	272.308	2.192	50	5		CEBAHN
CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1	ZINC000089935436	364019182	/nfs/dbraw/zinc/01/91/82/364019182.db2.gz	JNJXTOAIOFXDJM-CHWSQXEVSA-N	0	3	282.365	2.066	50	5		CEBAHN
O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C=C[C@H](CO)C1)CCC2	ZINC000192966961	285144909	/nfs/dbraw/zinc/14/49/09/285144909.db2.gz	FULATJZLRXIPDV-NORZTCDRSA-N	0	3	288.347	2.499	50	5		CEBAHN
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCC[C@H](C)C1	ZINC000046952351	362192250	/nfs/dbraw/zinc/19/22/50/362192250.db2.gz	PVBSOHNLWAHLJX-QWRGUYRKSA-N	0	3	295.339	2.038	50	5		CEBAHN
C[C@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000070038431	363023935	/nfs/dbraw/zinc/02/39/35/363023935.db2.gz	TYCUZDCDMBIQQW-SMDDNHRTSA-N	0	3	264.325	2.330	50	5		CEBAHN
C[C@H](c1ccccc1)N(C)CCn1cc([N+](=O)[O-])cn1	ZINC000075147465	363443951	/nfs/dbraw/zinc/44/39/51/363443951.db2.gz	MUTNERVGWVMOQA-GFCCVEGCSA-N	0	3	274.324	2.484	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc3ccccc32)N1	ZINC000000105432	361128617	/nfs/dbraw/zinc/12/86/17/361128617.db2.gz	VSTQRSGTVPVEOS-UKRRQHHQSA-N	0	3	270.288	2.436	50	5		CEBAHN
O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccccc2)cc1	ZINC000016477480	361489550	/nfs/dbraw/zinc/48/95/50/361489550.db2.gz	BKYGDAVTBSSMBV-OAHLLOKOSA-N	0	3	272.304	2.418	50	5		CEBAHN
CC[C@H](C)N(CCO)Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000585117241	367179241	/nfs/dbraw/zinc/17/92/41/367179241.db2.gz	VZNXBCJQOXXJNM-LBPRGKRZSA-N	0	3	266.341	2.496	50	5		CEBAHN
Cc1c(NC(=O)[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-]	ZINC000078578546	177356333	/nfs/dbraw/zinc/35/63/33/177356333.db2.gz	YKEWHAJJUHQYHH-NSHDSACASA-N	0	3	277.324	2.184	50	5		CEBAHN
Cc1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1[N+](=O)[O-]	ZINC000952880482	815074781	/nfs/dbraw/zinc/07/47/81/815074781.db2.gz	BMNAQAUQCWARJF-CQSZACIVSA-N	0	3	298.346	2.449	50	5		CEBAHN
CC[C@@](C)(CN)c1nc(-c2ccccc2[N+](=O)[O-])no1	ZINC000097022060	185153997	/nfs/dbraw/zinc/15/39/97/185153997.db2.gz	VREOWPDYMYKZHJ-ZDUSSCGKSA-N	0	3	276.296	2.271	50	5		CEBAHN
CCCOc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000002479079	361235379	/nfs/dbraw/zinc/23/53/79/361235379.db2.gz	KVLKACSEXGPRLX-GXTWGEPZSA-N	0	3	278.308	2.072	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000089894281	364013351	/nfs/dbraw/zinc/01/33/51/364013351.db2.gz	RTJFLALKFPESOZ-YPMHNXCESA-N	0	3	264.325	2.188	50	5		CEBAHN
CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCSC1	ZINC000241132939	370782008	/nfs/dbraw/zinc/78/20/08/370782008.db2.gz	JNJXTOAIOFXDJM-QWHCGFSZSA-N	0	3	282.365	2.066	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc(Br)c2)N1	ZINC000000115960	296330506	/nfs/dbraw/zinc/33/05/06/296330506.db2.gz	FZHWJJRTEIUGMD-ONGXEEELSA-N	0	3	299.124	2.046	50	5		CEBAHN
Cc1ccc(CN[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-]	ZINC000228068504	153353822	/nfs/dbraw/zinc/35/38/22/153353822.db2.gz	GCLFEVMDWZLKTQ-QWRGUYRKSA-N	0	3	252.314	2.152	50	5		CEBAHN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NCC(C)C	ZINC000007814139	170304039	/nfs/dbraw/zinc/30/40/39/170304039.db2.gz	JSCGOTPKHXGKOK-SNVBAGLBSA-N	0	3	295.339	2.176	50	5		CEBAHN
Cc1c(CN2CCC([C@H](C)O)CC2)cccc1[N+](=O)[O-]	ZINC000071897293	176293192	/nfs/dbraw/zinc/29/31/92/176293192.db2.gz	QUCNOJPOMHRIGB-LBPRGKRZSA-N	0	3	278.352	2.496	50	5		CEBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)N1	ZINC000003877890	274594412	/nfs/dbraw/zinc/59/44/12/274594412.db2.gz	VUIFYXAJJLSBES-QWRGUYRKSA-N	0	3	286.335	2.330	50	5		CEBAHN
CC(C)Oc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090383	361126851	/nfs/dbraw/zinc/12/68/51/361126851.db2.gz	GZKUGDIHWJPWNL-BXUZGUMPSA-N	0	3	278.308	2.070	50	5		CEBAHN
C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)N1	ZINC000000228933	274361944	/nfs/dbraw/zinc/36/19/44/274361944.db2.gz	HZFONUHGJQMUKR-DTORHVGOSA-N	0	3	269.732	2.435	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000069847661	290157416	/nfs/dbraw/zinc/15/74/16/290157416.db2.gz	IHQHNXIBGQDGFC-AAEUAGOBSA-N	0	3	264.325	2.330	50	5		CEBAHN
C[C@H](NC[C@H](C)[S@](C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000211268800	538803275	/nfs/dbraw/zinc/80/32/75/538803275.db2.gz	LXUBMYSFGRTNKQ-RAALSFIWSA-N	0	3	270.354	2.012	50	5		CEBAHN
CC(C)OCCCNCc1ccc([N+](=O)[O-])cc1	ZINC000013718122	361438722	/nfs/dbraw/zinc/43/87/22/361438722.db2.gz	LYHPMYZZQFUURU-UHFFFAOYSA-N	0	3	252.314	2.500	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)N1	ZINC000000053752	296330558	/nfs/dbraw/zinc/33/05/58/296330558.db2.gz	BUVCCOBAINSNSF-ONGXEEELSA-N	0	3	288.225	2.302	50	5		CEBAHN
C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1	ZINC000004004447	394454281	/nfs/dbraw/zinc/45/42/81/394454281.db2.gz	PBQHFYMVOTZKJM-IUCAKERBSA-N	0	3	269.732	2.435	50	5		CEBAHN
Cc1cc(N2C[C@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000108371001	394730667	/nfs/dbraw/zinc/73/06/67/394730667.db2.gz	BPAKWQSJSPNXLU-NWDGAFQWSA-N	0	3	263.341	2.432	50	5		CEBAHN
CN(C)CCNc1ccc([N+](=O)[O-])c2cnccc12	ZINC000005930701	170157187	/nfs/dbraw/zinc/15/71/87/170157187.db2.gz	CCHQSAGYSQRAKT-UHFFFAOYSA-N	0	3	260.297	2.117	50	5		CEBAHN
O=[N+]([O-])c1cnccc1N1CCC[C@H](N2CCCC2)C1	ZINC000066809457	304812466	/nfs/dbraw/zinc/81/24/66/304812466.db2.gz	LEMSIIOEFQGHCI-LBPRGKRZSA-N	0	3	276.340	2.054	50	5		CEBAHN
CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1N(C)C	ZINC000270667533	372890796	/nfs/dbraw/zinc/89/07/96/372890796.db2.gz	QLGJJNHTKZGXQJ-UONOGXRCSA-N	0	3	295.408	2.072	50	5		CEBAHN
C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1	ZINC000072727449	363163432	/nfs/dbraw/zinc/16/34/32/363163432.db2.gz	QNJSNSAFVNIKAQ-MRVPVSSYSA-N	0	3	264.281	2.212	50	5		CEBAHN
CN1CC[C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1	ZINC000192558669	283152309	/nfs/dbraw/zinc/15/23/09/283152309.db2.gz	XDJXMUCHBUTNLS-IINYFYTJSA-N	0	3	279.315	2.264	50	5		CEBAHN
CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCSC1	ZINC000089935435	364019287	/nfs/dbraw/zinc/01/92/87/364019287.db2.gz	JNJXTOAIOFXDJM-OLZOCXBDSA-N	0	3	282.365	2.066	50	5		CEBAHN
C[C@H](N[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000097038552	364428557	/nfs/dbraw/zinc/42/85/57/364428557.db2.gz	LPGOJGXFGVFPPW-GXFFZTMASA-N	0	3	250.298	2.424	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)N1	ZINC000000053755	296326172	/nfs/dbraw/zinc/32/61/72/296326172.db2.gz	BUVCCOBAINSNSF-MWLCHTKSSA-N	0	3	288.225	2.302	50	5		CEBAHN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCNCC1	ZINC000003887662	285085119	/nfs/dbraw/zinc/08/51/19/285085119.db2.gz	YOBUPGXTLFRIJD-UHFFFAOYSA-N	0	3	275.230	2.023	50	5		CEBAHN
C[C@@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000071897307	176293106	/nfs/dbraw/zinc/29/31/06/176293106.db2.gz	JNIRGWDSBQHSAA-GFCCVEGCSA-N	0	3	278.352	2.230	50	5		CEBAHN
C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1	ZINC000003877883	277916226	/nfs/dbraw/zinc/91/62/26/277916226.db2.gz	CNBXACPESICDFY-DTORHVGOSA-N	0	3	269.732	2.435	50	5		CEBAHN
CC(C)c1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000107291	278047299	/nfs/dbraw/zinc/04/72/99/278047299.db2.gz	KAELMYGEWHEWBH-JSGCOSHPSA-N	0	3	262.309	2.406	50	5		CEBAHN
C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O	ZINC000090843415	278209019	/nfs/dbraw/zinc/20/90/19/278209019.db2.gz	LXUBMYSFGRTNKQ-AUSHCKSDSA-N	0	3	270.354	2.012	50	5		CEBAHN
C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000024803360	278253758	/nfs/dbraw/zinc/25/37/58/278253758.db2.gz	MBAKWSQHMKUNNO-LBPRGKRZSA-N	0	3	291.351	2.199	50	5		CEBAHN
O=[N+]([O-])c1ccccc1OCCN1CCCCC1	ZINC000004989876	361330966	/nfs/dbraw/zinc/33/09/66/361330966.db2.gz	WJKVNAGDMGTIQM-UHFFFAOYSA-N	0	3	250.298	2.460	50	5		CEBAHN
CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1	ZINC000012799697	361401068	/nfs/dbraw/zinc/40/10/68/361401068.db2.gz	KXONYNJJSMHISW-UHFFFAOYSA-N	0	3	291.351	2.458	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000089894278	364013616	/nfs/dbraw/zinc/01/36/16/364013616.db2.gz	RTJFLALKFPESOZ-WCQYABFASA-N	0	3	264.325	2.188	50	5		CEBAHN
O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2)c1	ZINC000020522715	171235532	/nfs/dbraw/zinc/23/55/32/171235532.db2.gz	MBUHSMPFSBDIBR-OAHLLOKOSA-N	0	3	272.304	2.418	50	5		CEBAHN
Cc1cc([N+](=O)[O-])cnc1N1C[C@@]2(C)CN(C)C[C@@]2(C)C1	ZINC000585132658	345005655	/nfs/dbraw/zinc/00/56/55/345005655.db2.gz	JXPMZIAGKQEEKN-GASCZTMLSA-N	0	3	290.367	2.076	50	5		CEBAHN
Cc1c(NC(=O)N(C)[C@H]2CCN(C)C2)cccc1[N+](=O)[O-]	ZINC000585141823	345007952	/nfs/dbraw/zinc/00/79/52/345007952.db2.gz	YZJIHTPNMBHBMM-NSHDSACASA-N	0	3	292.339	2.071	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-]	ZINC000069780169	363000221	/nfs/dbraw/zinc/00/02/21/363000221.db2.gz	PQADJTWGONLIHB-OLZOCXBDSA-N	0	3	294.351	2.209	50	5		CEBAHN
O=[N+]([O-])c1ccccc1CNC1CCN(CC(F)F)CC1	ZINC000071792578	363114863	/nfs/dbraw/zinc/11/48/63/363114863.db2.gz	CSWBLMXWYITGOB-UHFFFAOYSA-N	0	3	299.321	2.414	50	5		CEBAHN
CSc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103402	361128845	/nfs/dbraw/zinc/12/88/45/361128845.db2.gz	KGPRPRLZOPUBMT-ZYHUDNBSSA-N	0	3	266.322	2.005	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc3ccccc32)N1	ZINC000000105430	361129478	/nfs/dbraw/zinc/12/94/78/361129478.db2.gz	VSTQRSGTVPVEOS-HIFRSBDPSA-N	0	3	270.288	2.436	50	5		CEBAHN
CCCOc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000002479084	361235046	/nfs/dbraw/zinc/23/50/46/361235046.db2.gz	KVLKACSEXGPRLX-TZMCWYRMSA-N	0	3	278.308	2.072	50	5		CEBAHN
Cc1c([C@H](C)N[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-]	ZINC000097370958	364493095	/nfs/dbraw/zinc/49/30/95/364493095.db2.gz	GYBQPIHJKBOOOA-RWMBFGLXSA-N	0	3	276.336	2.491	50	5		CEBAHN
CC1(C)CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1	ZINC000212604755	275850844	/nfs/dbraw/zinc/85/08/44/275850844.db2.gz	BKJJCXLTCQKKNT-UHFFFAOYSA-N	0	3	286.335	2.331	50	5		CEBAHN
Cc1cc(N2C[C@@H](C)N(C)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000239667134	344609380	/nfs/dbraw/zinc/60/93/80/344609380.db2.gz	BPAKWQSJSPNXLU-VXGBXAGGSA-N	0	3	263.341	2.432	50	5		CEBAHN
Cc1c(NC(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-]	ZINC000585140753	345007917	/nfs/dbraw/zinc/00/79/17/345007917.db2.gz	KKGJIOUAWXCWDG-UHFFFAOYSA-N	0	3	292.339	2.119	50	5		CEBAHN
O=[N+]([O-])c1ccc(OCCNCc2ccco2)cc1	ZINC000003001139	361261312	/nfs/dbraw/zinc/26/13/12/361261312.db2.gz	OOTPDXYPYJXOPS-UHFFFAOYSA-N	0	3	262.265	2.356	50	5		CEBAHN
COc1ccc(CN(C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000241409007	370783227	/nfs/dbraw/zinc/78/32/27/370783227.db2.gz	NDTWQEMKGFYQRQ-TZMCWYRMSA-N	0	3	294.351	2.339	50	5		CEBAHN
CN1CCC(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009723841	170385147	/nfs/dbraw/zinc/38/51/47/170385147.db2.gz	QZUMQUBYWMQAOD-QPJJXVBHSA-N	0	3	290.319	2.245	50	5		CEBAHN
C[C@H](O)[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000069847664	363008699	/nfs/dbraw/zinc/00/86/99/363008699.db2.gz	IHQHNXIBGQDGFC-WCQYABFASA-N	0	3	264.325	2.330	50	5		CEBAHN
CC(C)(C)[C@H](CO)NCc1ccc([N+](=O)[O-])c(F)c1	ZINC000282587886	375523734	/nfs/dbraw/zinc/52/37/34/375523734.db2.gz	WSQDKIMAEKSTPG-LBPRGKRZSA-N	0	3	270.304	2.231	50	5		CEBAHN
O=[N+]([O-])c1cc2c(cc1Br)CNCC2	ZINC000095495803	285098288	/nfs/dbraw/zinc/09/82/88/285098288.db2.gz	MLIZUKAIRKGUIM-UHFFFAOYSA-N	0	3	257.087	2.003	50	5		CEBAHN
CCN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004988051	170049250	/nfs/dbraw/zinc/04/92/50/170049250.db2.gz	SLNGTTMFTBPUNW-FNORWQNLSA-N	0	3	275.352	2.246	50	5		CEBAHN
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NCC(C)C	ZINC000007814138	170304046	/nfs/dbraw/zinc/30/40/46/170304046.db2.gz	JSCGOTPKHXGKOK-JTQLQIEISA-N	0	3	295.339	2.176	50	5		CEBAHN
CC(C)c1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000107294	278051452	/nfs/dbraw/zinc/05/14/52/278051452.db2.gz	KAELMYGEWHEWBH-GXTWGEPZSA-N	0	3	262.309	2.406	50	5		CEBAHN
CSc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103400	361128959	/nfs/dbraw/zinc/12/89/59/361128959.db2.gz	KGPRPRLZOPUBMT-PWSUYJOCSA-N	0	3	266.322	2.005	50	5		CEBAHN
CN(C)CCOC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000004583078	361323006	/nfs/dbraw/zinc/32/30/06/361323006.db2.gz	KEJRKQHCLQMGBS-UHFFFAOYSA-N	0	3	287.703	2.358	50	5		CEBAHN
Cc1cccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-]	ZINC000225459242	281229678	/nfs/dbraw/zinc/22/96/78/281229678.db2.gz	LOHYAEWVCGGJOD-ZDUSSCGKSA-N	0	3	273.336	2.354	50	5		CEBAHN
O=[N+]([O-])c1ccccc1CN[C@H]1CCN(c2ccccn2)C1	ZINC000097036904	185166142	/nfs/dbraw/zinc/16/61/42/185166142.db2.gz	ZGYHYBOGRKZTPE-AWEZNQCLSA-N	0	3	298.346	2.358	50	5		CEBAHN
CNc1ccc(CNCCc2ccccn2)cc1[N+](=O)[O-]	ZINC000069705887	362993370	/nfs/dbraw/zinc/99/33/70/362993370.db2.gz	CIPRQCSGPHDTNI-UHFFFAOYSA-N	0	3	286.335	2.364	50	5		CEBAHN
O=[N+]([O-])C1[C@@H](O)c2ccccc2O[C@H]1c1ccccc1	ZINC000000339683	361162913	/nfs/dbraw/zinc/16/29/13/361162913.db2.gz	XVWSCHIGUVCLPQ-ILXRZTDVSA-N	0	3	271.272	2.499	50	5		CEBAHN
C[C@H]1C[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012804087	361400657	/nfs/dbraw/zinc/40/06/57/361400657.db2.gz	OOGCEBOIIPQYGL-QWRGUYRKSA-N	0	3	291.351	2.172	50	5		CEBAHN
CCCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1	ZINC000040464796	174274437	/nfs/dbraw/zinc/27/44/37/174274437.db2.gz	JAMMMLUULLHVPE-UHFFFAOYSA-N	0	3	264.329	2.276	50	5		CEBAHN
O=[N+]([O-])C1[C@@H](c2ccccc2)Oc2ccccc2[C@@H]1O	ZINC000017111860	267116550	/nfs/dbraw/zinc/11/65/50/267116550.db2.gz	XVWSCHIGUVCLPQ-QLFBSQMISA-N	0	3	271.272	2.499	50	5		CEBAHN
Cc1ccnc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-]	ZINC000952880477	815075197	/nfs/dbraw/zinc/07/51/97/815075197.db2.gz	BMNAQAUQCWARJF-AWEZNQCLSA-N	0	3	298.346	2.449	50	5		CEBAHN
COc1cc(NC[C@H]2CCCN(C)C2)c(F)cc1[N+](=O)[O-]	ZINC000091483004	180167389	/nfs/dbraw/zinc/16/73/89/180167389.db2.gz	KKWKMFPKASSIEX-SNVBAGLBSA-N	0	3	297.330	2.496	50	5		CEBAHN
CCCCOc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000004152259	361302719	/nfs/dbraw/zinc/30/27/19/361302719.db2.gz	ATMZHVLDKMDMSD-DOMZBBRYSA-N	0	3	292.335	2.462	50	5		CEBAHN
C[C@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000089894280	364013423	/nfs/dbraw/zinc/01/34/23/364013423.db2.gz	RTJFLALKFPESOZ-AAEUAGOBSA-N	0	3	264.325	2.188	50	5		CEBAHN
O=[N+]([O-])c1cccc(CN[C@H]2CCN(c3ccccn3)C2)c1	ZINC000095435722	364377239	/nfs/dbraw/zinc/37/72/39/364377239.db2.gz	IOXQXNWEQUZDQN-AWEZNQCLSA-N	0	3	298.346	2.358	50	5		CEBAHN
CN1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1	ZINC000310705312	262170874	/nfs/dbraw/zinc/17/08/74/262170874.db2.gz	CIQKTBJFGNHGDN-UHFFFAOYSA-N	0	3	270.720	2.149	50	5		CEBAHN
O=[N+]([O-])c1cccc(-c2csc(N3CCNCC3)n2)c1	ZINC000041107700	362018672	/nfs/dbraw/zinc/01/86/72/362018672.db2.gz	WOEAJVJEXHZGTL-UHFFFAOYSA-N	0	3	290.348	2.128	50	5		CEBAHN
Cc1ccnc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-]	ZINC000133551949	366235112	/nfs/dbraw/zinc/23/51/12/366235112.db2.gz	FGDPXEMIHPAZRY-QWRGUYRKSA-N	0	3	276.340	2.335	50	5		CEBAHN
CC(=O)c1ccc(NC2CC(N(C)C)C2)c([N+](=O)[O-])c1	ZINC000521394141	256854975	/nfs/dbraw/zinc/85/49/75/256854975.db2.gz	NFZDWJVNYCFHJP-UHFFFAOYSA-N	0	3	277.324	2.302	50	5		CEBAHN
Cc1cc([N+](=O)[O-])nn1CCN(C)Cc1ccc(F)cc1	ZINC000193876085	395417516	/nfs/dbraw/zinc/41/75/16/395417516.db2.gz	NIPOCWQZFXZWEX-UHFFFAOYSA-N	0	3	292.314	2.371	50	5		CEBAHN
C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1	ZINC000004406361	274362962	/nfs/dbraw/zinc/36/29/62/274362962.db2.gz	XPYGLMJMRRVFAU-MRVPVSSYSA-N	0	3	289.257	2.412	50	5		CEBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1C(F)(F)F	ZINC000008700963	275036654	/nfs/dbraw/zinc/03/66/54/275036654.db2.gz	GGXGAQDEUXECHQ-UHFFFAOYSA-N	0	3	275.230	2.023	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000070038430	363023224	/nfs/dbraw/zinc/02/32/24/363023224.db2.gz	TYCUZDCDMBIQQW-RISCZKNCSA-N	0	3	264.325	2.330	50	5		CEBAHN
CSc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103397	361128930	/nfs/dbraw/zinc/12/89/30/361128930.db2.gz	KGPRPRLZOPUBMT-CMPLNLGQSA-N	0	3	266.322	2.005	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2Br)N1	ZINC000000090365	361126418	/nfs/dbraw/zinc/12/64/18/361126418.db2.gz	AWZHFUMNBBNKNS-KOLCDFICSA-N	0	3	299.124	2.046	50	5		CEBAHN
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1O	ZINC000252725442	371472934	/nfs/dbraw/zinc/47/29/34/371472934.db2.gz	HUCWGHZBKBIZAQ-ZIAGYGMSSA-N	0	3	264.325	2.330	50	5		CEBAHN
Cc1ccc(CNCC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-]	ZINC000280523515	375231711	/nfs/dbraw/zinc/23/17/11/375231711.db2.gz	BFWMPVLQXZQSIC-HXUWFJFHSA-N	0	3	296.392	2.294	50	5		CEBAHN
Cc1ccc(CN[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-]	ZINC000228068490	153355938	/nfs/dbraw/zinc/35/59/38/153355938.db2.gz	GCLFEVMDWZLKTQ-WDEREUQCSA-N	0	3	252.314	2.152	50	5		CEBAHN
Cc1ccc(OCCN2CCCC2)c([N+](=O)[O-])c1	ZINC000004845511	170029449	/nfs/dbraw/zinc/02/94/49/170029449.db2.gz	PSDBXMQILRHOAL-UHFFFAOYSA-N	0	3	250.298	2.378	50	5		CEBAHN
CCC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000007985928	170312137	/nfs/dbraw/zinc/31/21/37/170312137.db2.gz	PSWLCTCEMMZZDY-UHFFFAOYSA-N	0	3	295.339	2.320	50	5		CEBAHN
C[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1	ZINC000003998706	279878530	/nfs/dbraw/zinc/87/85/30/279878530.db2.gz	NECMVUPTUANASG-QMMMGPOBSA-N	0	3	255.705	2.046	50	5		CEBAHN
C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000097032969	185155944	/nfs/dbraw/zinc/15/59/44/185155944.db2.gz	PQFXMRJBNBCDFJ-NSHDSACASA-N	0	3	260.297	2.142	50	5		CEBAHN
COC(=O)C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000179139502	189172575	/nfs/dbraw/zinc/17/25/75/189172575.db2.gz	BPBVLQUVMQDMSR-ZDUSSCGKSA-N	0	3	278.308	2.122	50	5		CEBAHN
CC(C)Oc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090381	361126594	/nfs/dbraw/zinc/12/65/94/361126594.db2.gz	GZKUGDIHWJPWNL-RISCZKNCSA-N	0	3	278.308	2.070	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000089894282	364013528	/nfs/dbraw/zinc/01/35/28/364013528.db2.gz	FEVLYJRVPNWSPI-WCQYABFASA-N	0	3	264.325	2.188	50	5		CEBAHN
C[C@@H](N[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000097038557	364429253	/nfs/dbraw/zinc/42/92/53/364429253.db2.gz	LPGOJGXFGVFPPW-MFKMUULPSA-N	0	3	250.298	2.424	50	5		CEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)[C@H](C)C1	ZINC000408523763	276165021	/nfs/dbraw/zinc/16/50/21/276165021.db2.gz	NAAYGBMAEVKXHR-LLVKDONJSA-N	0	3	278.356	2.219	50	5		CEBAHN
O=[N+]([O-])c1cnccc1N1CCC[C@@H](N2CCCC2)C1	ZINC000066809458	362885787	/nfs/dbraw/zinc/88/57/87/362885787.db2.gz	LEMSIIOEFQGHCI-GFCCVEGCSA-N	0	3	276.340	2.054	50	5		CEBAHN
C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(F)c1	ZINC000090539506	539768546	/nfs/dbraw/zinc/76/85/46/539768546.db2.gz	BVPOPMLOCNHQIA-SECBINFHSA-N	0	3	296.277	2.420	50	5		CEBAHN
O=[N+]([O-])C1[C@H](O)c2ccccc2O[C@@H]1c1ccccc1	ZINC000004114266	361301503	/nfs/dbraw/zinc/30/15/03/361301503.db2.gz	XVWSCHIGUVCLPQ-RBSFLKMASA-N	0	3	271.272	2.499	50	5		CEBAHN
O=[N+]([O-])c1cccc(CNC[C@H](O)c2ccccc2)c1	ZINC000016477511	361489472	/nfs/dbraw/zinc/48/94/72/361489472.db2.gz	SQFOVFKGMZFWJN-HNNXBMFYSA-N	0	3	272.304	2.418	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2Br)N1	ZINC000000090360	296330461	/nfs/dbraw/zinc/33/04/61/296330461.db2.gz	AWZHFUMNBBNKNS-ONGXEEELSA-N	0	3	299.124	2.046	50	5		CEBAHN
CC(=O)c1ccc(N2CC[C@@H](N(C)C)[C@@H]2C)c([N+](=O)[O-])c1	ZINC000314851714	256857607	/nfs/dbraw/zinc/85/76/07/256857607.db2.gz	DPRRXNHTHZAVNC-GXFFZTMASA-N	0	3	291.351	2.326	50	5		CEBAHN
CCCCOc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000004152261	169938648	/nfs/dbraw/zinc/93/86/48/169938648.db2.gz	ATMZHVLDKMDMSD-SWLSCSKDSA-N	0	3	292.335	2.462	50	5		CEBAHN
NC(=O)c1cccc(CCNCc2ccccc2[N+](=O)[O-])c1	ZINC000072275607	363125865	/nfs/dbraw/zinc/12/58/65/363125865.db2.gz	XVQNHICEZPSFMX-UHFFFAOYSA-N	0	3	299.330	2.026	50	5		CEBAHN
Cc1ccnc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-]	ZINC000133551744	366235277	/nfs/dbraw/zinc/23/52/77/366235277.db2.gz	FGDPXEMIHPAZRY-WDEREUQCSA-N	0	3	276.340	2.335	50	5		CEBAHN
CCN1CCN(CCCOc2ccccc2[N+](=O)[O-])CC1	ZINC000002862654	361255788	/nfs/dbraw/zinc/25/57/88/361255788.db2.gz	FJJMLGGPFMKWKC-UHFFFAOYSA-N	0	3	293.367	2.001	50	5		CEBAHN
CCCCOc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000004152262	361302715	/nfs/dbraw/zinc/30/27/15/361302715.db2.gz	ATMZHVLDKMDMSD-WFASDCNBSA-N	0	3	292.335	2.462	50	5		CEBAHN
O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2)c1	ZINC000020522713	171235736	/nfs/dbraw/zinc/23/57/36/171235736.db2.gz	MBUHSMPFSBDIBR-HNNXBMFYSA-N	0	3	272.304	2.418	50	5		CEBAHN
CN1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000037485939	173229431	/nfs/dbraw/zinc/22/94/31/173229431.db2.gz	GPTMJHMPMIKSBW-UHFFFAOYSA-N	0	3	280.284	2.009	50	5		CEBAHN
CCN1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000084780041	539528774	/nfs/dbraw/zinc/52/87/74/539528774.db2.gz	RRFYXGZJGWJEBT-ZDUSSCGKSA-N	0	3	292.339	2.153	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(C(F)(F)F)cc2)N1	ZINC000000115993	361130262	/nfs/dbraw/zinc/13/02/62/361130262.db2.gz	LJCIZWPTTFFJTB-MWLCHTKSSA-N	0	3	288.225	2.302	50	5		CEBAHN
CC(C)(C)NCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000011234885	361356865	/nfs/dbraw/zinc/35/68/65/361356865.db2.gz	DQOOWHGEACUELM-UHFFFAOYSA-N	0	3	266.297	2.349	50	5		CEBAHN
NC(=O)c1ccc(CN2CCCCCC2)c([N+](=O)[O-])c1	ZINC000027269333	361649932	/nfs/dbraw/zinc/64/99/32/361649932.db2.gz	WXAMUEFHHVHMOI-UHFFFAOYSA-N	0	3	277.324	2.070	50	5		CEBAHN
CC[C@H]1CC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000095459154	394673569	/nfs/dbraw/zinc/67/35/69/394673569.db2.gz	QYLBLLXQDKYNPC-GWCFXTLKSA-N	0	3	291.351	2.457	50	5		CEBAHN
CN1CC[C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1	ZINC000192558650	395387848	/nfs/dbraw/zinc/38/78/48/395387848.db2.gz	XDJXMUCHBUTNLS-QMTHXVAHSA-N	0	3	279.315	2.264	50	5		CEBAHN
CC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000097033676	185156595	/nfs/dbraw/zinc/15/65/95/185156595.db2.gz	UAOXFTQRSKCMOI-JQWIXIFHSA-N	0	3	252.314	2.325	50	5		CEBAHN
CC(C)Oc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090372	361126283	/nfs/dbraw/zinc/12/62/83/361126283.db2.gz	GZKUGDIHWJPWNL-FZMZJTMJSA-N	0	3	278.308	2.070	50	5		CEBAHN
CN(C)CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000004003260	361296253	/nfs/dbraw/zinc/29/62/53/361296253.db2.gz	WWHKTMSLHKICMD-UHFFFAOYSA-N	0	3	260.297	2.117	50	5		CEBAHN
C[C@@H]1C[C@H](C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000012804082	361400283	/nfs/dbraw/zinc/40/02/83/361400283.db2.gz	OOGCEBOIIPQYGL-PHIMTYICSA-N	0	3	291.351	2.172	50	5		CEBAHN
CC[C@H]1CC[C@@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000095459156	364386977	/nfs/dbraw/zinc/38/69/77/364386977.db2.gz	QYLBLLXQDKYNPC-MFKMUULPSA-N	0	3	291.351	2.457	50	5		CEBAHN
CC(C)(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])c(F)c1	ZINC000282587882	375523100	/nfs/dbraw/zinc/52/31/00/375523100.db2.gz	WSQDKIMAEKSTPG-GFCCVEGCSA-N	0	3	270.304	2.231	50	5		CEBAHN
O=C(NCCN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004777399	170015506	/nfs/dbraw/zinc/01/55/06/170015506.db2.gz	QYQSOSZWSYYJGU-UHFFFAOYSA-N	0	3	292.339	2.202	50	5		CEBAHN
O=C(CNCCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000006875778	170251806	/nfs/dbraw/zinc/25/18/06/170251806.db2.gz	MIEPGMKUTACKJY-UHFFFAOYSA-N	0	3	299.330	2.366	50	5		CEBAHN
CCN1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000069562967	362980006	/nfs/dbraw/zinc/98/00/06/362980006.db2.gz	MEQAGXIVRFTNNC-UHFFFAOYSA-N	0	3	263.341	2.122	50	5		CEBAHN
Cc1c(CN(C[C@H](C)O)C(C)C)cccc1[N+](=O)[O-]	ZINC000069809303	363002748	/nfs/dbraw/zinc/00/27/48/363002748.db2.gz	QVXIUIXPFBBZQQ-NSHDSACASA-N	0	3	266.341	2.494	50	5		CEBAHN
CC(C)CNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004739214	361327135	/nfs/dbraw/zinc/32/71/35/361327135.db2.gz	ZHBXXBUUKIZRMS-UHFFFAOYSA-N	0	3	278.356	2.072	50	5		CEBAHN
O=[N+]([O-])c1cccc(CNC[C@@H](O)c2ccccc2)c1	ZINC000016477514	361489119	/nfs/dbraw/zinc/48/91/19/361489119.db2.gz	SQFOVFKGMZFWJN-OAHLLOKOSA-N	0	3	272.304	2.418	50	5		CEBAHN
CC[C@H](C)NC(=O)CCNCc1ccc(F)c([N+](=O)[O-])c1	ZINC000095430571	364374664	/nfs/dbraw/zinc/37/46/64/364374664.db2.gz	RUMPNUYXSCMNSG-JTQLQIEISA-N	0	3	297.330	2.128	50	5		CEBAHN
CC[C@@H]1CC[C@@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000095459155	364387307	/nfs/dbraw/zinc/38/73/07/364387307.db2.gz	QYLBLLXQDKYNPC-ZWNOBZJWSA-N	0	3	291.351	2.457	50	5		CEBAHN
CCCCN1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C	ZINC000103100270	528472936	/nfs/dbraw/zinc/47/29/36/528472936.db2.gz	IWEDYJMBTBTZDU-LBPRGKRZSA-N	0	3	295.387	2.395	50	5		CEBAHN
COc1ccc(CN(C)CC2CC2)cc1[N+](=O)[O-]	ZINC000052128485	362467758	/nfs/dbraw/zinc/46/77/58/362467758.db2.gz	KGAXENNZZYCSHO-UHFFFAOYSA-N	0	3	250.298	2.445	50	5		CEBAHN
O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccccc2)cc1	ZINC000019301144	361526521	/nfs/dbraw/zinc/52/65/21/361526521.db2.gz	JDCPMOWSBPLTHF-HNNXBMFYSA-N	0	3	272.304	2.418	50	5		CEBAHN
CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000270667532	372890191	/nfs/dbraw/zinc/89/01/91/372890191.db2.gz	QLGJJNHTKZGXQJ-KGLIPLIRSA-N	0	3	295.408	2.072	50	5		CEBAHN
O=[N+]([O-])C1[C@H](O)c2ccccc2O[C@@H]1c1ccccc1	ZINC000001008998	285075232	/nfs/dbraw/zinc/07/52/32/285075232.db2.gz	XVWSCHIGUVCLPQ-RRFJBIMHSA-N	0	3	271.272	2.499	50	5		CEBAHN
O=[N+]([O-])c1ccc(NCCNCc2ccco2)cc1	ZINC000004842946	170028907	/nfs/dbraw/zinc/02/89/07/170028907.db2.gz	RBCSIDRVMWAZPT-UHFFFAOYSA-N	0	3	261.281	2.390	50	5		CEBAHN
CC(C)c1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000107300	276057295	/nfs/dbraw/zinc/05/72/95/276057295.db2.gz	KAELMYGEWHEWBH-OCCSQVGLSA-N	0	3	262.309	2.406	50	5		CEBAHN
CC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	ZINC000097033679	185155630	/nfs/dbraw/zinc/15/56/30/185155630.db2.gz	UAOXFTQRSKCMOI-ZYHUDNBSSA-N	0	3	252.314	2.325	50	5		CEBAHN
C[C@@H](O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1	ZINC000089894283	364013433	/nfs/dbraw/zinc/01/34/33/364013433.db2.gz	FEVLYJRVPNWSPI-DGCLKSJQSA-N	0	3	264.325	2.188	50	5		CEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])cc2F)CC1	ZINC000071893747	176291646	/nfs/dbraw/zinc/29/16/46/176291646.db2.gz	GIBZHKJUGKLHCB-UHFFFAOYSA-N	0	3	267.304	2.266	50	5		CEBAHN
CC(C)N(C)CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1	ZINC000079975578	363638077	/nfs/dbraw/zinc/63/80/77/363638077.db2.gz	PYHKTQFCFDEHJP-UHFFFAOYSA-N	0	3	293.367	2.286	50	5		CEBAHN
O=[N+]([O-])C1[C@H](O)c2ccccc2O[C@H]1c1ccccc1	ZINC000004114267	361301858	/nfs/dbraw/zinc/30/18/58/361301858.db2.gz	XVWSCHIGUVCLPQ-KFWWJZLASA-N	0	3	271.272	2.499	50	5		CEBAHN
CC(=O)c1ccc(N2CC[C@@H](N(C)C)[C@H]2C)c([N+](=O)[O-])c1	ZINC000314851717	376786357	/nfs/dbraw/zinc/78/63/57/376786357.db2.gz	DPRRXNHTHZAVNC-ZWNOBZJWSA-N	0	3	291.351	2.326	50	5		CEBAHN
CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000058224281	394564783	/nfs/dbraw/zinc/56/47/83/394564783.db2.gz	VSOOZMNDBLURAO-UHFFFAOYSA-N	0	3	263.341	2.373	50	5		CEBAHN
C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CCN1	ZINC000003998705	278798483	/nfs/dbraw/zinc/79/84/83/278798483.db2.gz	NECMVUPTUANASG-MRVPVSSYSA-N	0	3	255.705	2.046	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Br)cc2)N1	ZINC000000221456	280257734	/nfs/dbraw/zinc/25/77/34/280257734.db2.gz	VYMIHEBRKGBIJG-KOLCDFICSA-N	0	3	299.124	2.046	50	5		CEBAHN
Cc1cc([N+](=O)[O-])cnc1N1CCN(c2ccncc2)CC1	ZINC000069777954	280664209	/nfs/dbraw/zinc/66/42/09/280664209.db2.gz	OKZLMBLCBNROTR-UHFFFAOYSA-N	0	3	299.334	2.020	50	5		CEBAHN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC[C@@H]1C	ZINC000106073518	186101539	/nfs/dbraw/zinc/10/15/39/186101539.db2.gz	ZTBCEXKBNRXGIN-WDEREUQCSA-N	0	3	295.339	2.181	50	5		CEBAHN
Cc1c(CN(C[C@@H](C)O)C(C)C)cccc1[N+](=O)[O-]	ZINC000069809302	363002930	/nfs/dbraw/zinc/00/29/30/363002930.db2.gz	QVXIUIXPFBBZQQ-LLVKDONJSA-N	0	3	266.341	2.494	50	5		CEBAHN
CC(C)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004170531	361304196	/nfs/dbraw/zinc/30/41/96/361304196.db2.gz	YMVRNKOYZPEJAJ-UHFFFAOYSA-N	0	3	263.341	2.121	50	5		CEBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c(C(F)(F)F)c1	ZINC000004132887	285126314	/nfs/dbraw/zinc/12/63/14/285126314.db2.gz	KMGDPTUNJDHJFZ-UHFFFAOYSA-N	0	3	275.230	2.023	50	5		CEBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)N1	ZINC000003877879	394454270	/nfs/dbraw/zinc/45/42/70/394454270.db2.gz	UEIVDYVQWOFTJP-IUCAKERBSA-N	0	3	269.732	2.435	50	5		CEBAHN
O=[N+]([O-])c1ccc(CN2CCCC[C@H]2CCO)cc1	ZINC000004947938	170044242	/nfs/dbraw/zinc/04/42/42/170044242.db2.gz	CITTVJTYGPEOFC-ZDUSSCGKSA-N	0	3	264.325	2.332	50	5		CEBAHN
O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccccc2)cc1	ZINC000016477477	170698669	/nfs/dbraw/zinc/69/86/69/170698669.db2.gz	BKYGDAVTBSSMBV-HNNXBMFYSA-N	0	3	272.304	2.418	50	5		CEBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)N1	ZINC000003877888	274364255	/nfs/dbraw/zinc/36/42/55/274364255.db2.gz	VUIFYXAJJLSBES-PHIMTYICSA-N	0	3	286.335	2.330	50	5		CEBAHN
Cc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000095983367	394674525	/nfs/dbraw/zinc/67/45/25/394674525.db2.gz	BPAKWQSJSPNXLU-NEPJUHHUSA-N	0	3	263.341	2.432	50	5		CEBAHN
O=[N+]([O-])c1cccc(OCCOCCN2CCCCC2)c1	ZINC000004841863	170028438	/nfs/dbraw/zinc/02/84/38/170028438.db2.gz	JVAIWXWCQFVKCZ-UHFFFAOYSA-N	0	3	294.351	2.476	50	5		CEBAHN
O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1CO	ZINC000004985395	170048830	/nfs/dbraw/zinc/04/88/30/170048830.db2.gz	HTLIFIOVEGAHAR-VUUYWXRKSA-N	0	3	262.309	2.065	50	5		CEBAHN
Cc1c(CN2CCC([C@@H](C)O)CC2)cccc1[N+](=O)[O-]	ZINC000071897292	176293127	/nfs/dbraw/zinc/29/31/27/176293127.db2.gz	QUCNOJPOMHRIGB-GFCCVEGCSA-N	0	3	278.352	2.496	50	5		CEBAHN
C[C@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000070038427	363023848	/nfs/dbraw/zinc/02/38/48/363023848.db2.gz	TYCUZDCDMBIQQW-FZMZJTMJSA-N	0	3	264.325	2.330	50	5		CEBAHN
COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl	ZINC000006412948	170199696	/nfs/dbraw/zinc/19/96/96/170199696.db2.gz	HGNXFUXLCRGLNP-UHFFFAOYSA-N	0	3	296.670	2.232	50	5		CEBAHN
C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1	ZINC000003877884	279881920	/nfs/dbraw/zinc/88/19/20/279881920.db2.gz	CNBXACPESICDFY-IUCAKERBSA-N	0	3	269.732	2.435	50	5		CEBAHN
COc1ccc(CN(C)[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-]	ZINC000095976598	185050998	/nfs/dbraw/zinc/05/09/98/185050998.db2.gz	NDTWQEMKGFYQRQ-JSGCOSHPSA-N	0	3	294.351	2.339	50	5		CEBAHN
COc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2)c1	ZINC000155802043	188227746	/nfs/dbraw/zinc/22/77/46/188227746.db2.gz	OAJPUQOLMDIBME-UHFFFAOYSA-N	0	3	265.313	2.110	50	5		CEBAHN
Cc1c(CN(C)CC[C@@H](C)O)cccc1[N+](=O)[O-]	ZINC000075782739	363489501	/nfs/dbraw/zinc/48/95/01/363489501.db2.gz	KZIYDSPTWKQFSX-SNVBAGLBSA-N	0	3	252.314	2.106	50	5		CEBAHN
COC(=O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000179139509	189172422	/nfs/dbraw/zinc/17/24/22/189172422.db2.gz	BPBVLQUVMQDMSR-CYBMUJFWSA-N	0	3	278.308	2.122	50	5		CEBAHN
CN(C)CCN(C)C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000002893927	361257616	/nfs/dbraw/zinc/25/76/16/361257616.db2.gz	WIOJFTGLCXQZJS-SOFGYWHQSA-N	0	3	263.341	2.101	50	5		CEBAHN
CC(C)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000004170518	361303451	/nfs/dbraw/zinc/30/34/51/361303451.db2.gz	UOWJZUOFTGCKEW-UHFFFAOYSA-N	0	3	263.341	2.121	50	5		CEBAHN
O=[N+]([O-])c1cnc(N2CCCN3CCC[C@H]3C2)c(Cl)c1	ZINC000247322324	371092588	/nfs/dbraw/zinc/09/25/88/371092588.db2.gz	MIMLXJWUXGRGSO-JTQLQIEISA-N	0	3	296.758	2.318	50	5		CEBAHN
O=[N+]([O-])c1ccc([C@H](O)CN2CCCCC2)cc1	ZINC000004312015	343353072	/nfs/dbraw/zinc/35/30/72/343353072.db2.gz	MNZTUVQQZPUFRQ-CYBMUJFWSA-N	0	3	250.298	2.114	50	5		CEBAHN
O=[N+]([O-])c1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1	ZINC000083444151	344077594	/nfs/dbraw/zinc/07/75/94/344077594.db2.gz	HSLQGRPLGDUDJE-UHFFFAOYSA-N	0	3	287.323	2.093	50	5		CEBAHN
CC[C@@H]1CC[C@H](C)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000095459153	364386744	/nfs/dbraw/zinc/38/67/44/364386744.db2.gz	QYLBLLXQDKYNPC-GXFFZTMASA-N	0	3	291.351	2.457	50	5		CEBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)N1	ZINC000003877891	274364336	/nfs/dbraw/zinc/36/43/36/274364336.db2.gz	VUIFYXAJJLSBES-GHMZBOCLSA-N	0	3	286.335	2.330	50	5		CEBAHN
Cc1cc(N2CCN[C@@H](c3ccccc3)C2)ncc1[N+](=O)[O-]	ZINC000952881302	815075810	/nfs/dbraw/zinc/07/58/10/815075810.db2.gz	GIYFKCZMQHFBQH-CQSZACIVSA-N	0	3	298.346	2.449	50	5		CEBAHN
CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCSC1	ZINC000108326275	186211557	/nfs/dbraw/zinc/21/15/57/186211557.db2.gz	JNJXTOAIOFXDJM-STQMWFEESA-N	0	3	282.365	2.066	50	5		CEBAHN
CC(C)Oc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090376	361126091	/nfs/dbraw/zinc/12/60/91/361126091.db2.gz	GZKUGDIHWJPWNL-SMDDNHRTSA-N	0	3	278.308	2.070	50	5		CEBAHN
CC[C@@H](C)N(CCO)Cc1ccc(C)c([N+](=O)[O-])c1	ZINC000585117240	367178765	/nfs/dbraw/zinc/17/87/65/367178765.db2.gz	VZNXBCJQOXXJNM-GFCCVEGCSA-N	0	3	266.341	2.496	50	5		CEBAHN
O=[N+]([O-])c1cccc(CN2CCCC[C@@H]2CCO)c1	ZINC000004948700	170044498	/nfs/dbraw/zinc/04/44/98/170044498.db2.gz	IHTYDVBLKIUXOX-CYBMUJFWSA-N	0	3	264.325	2.332	50	5		CEBAHN
O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2)cc1	ZINC000019301145	361527346	/nfs/dbraw/zinc/52/73/46/361527346.db2.gz	JDCPMOWSBPLTHF-OAHLLOKOSA-N	0	3	272.304	2.418	50	5		CEBAHN
C[C@@H](NCCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1	ZINC000089904919	364014762	/nfs/dbraw/zinc/01/47/62/364014762.db2.gz	NHXKOLRVMDWIFB-GFCCVEGCSA-N	0	3	291.351	2.258	50	5		CEBAHN
C[C@@H](O)[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-]	ZINC000069847666	296203072	/nfs/dbraw/zinc/20/30/72/296203072.db2.gz	IHQHNXIBGQDGFC-DGCLKSJQSA-N	0	3	264.325	2.330	50	5		CEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])cc2COC)CC1	ZINC000084789210	394641653	/nfs/dbraw/zinc/64/16/53/394641653.db2.gz	ZQFUERHYHDYRPI-UHFFFAOYSA-N	0	3	293.367	2.273	50	5		CEBAHN
O=[N+]([O-])c1ccc(-c2csc(N3CCNCC3)n2)cc1	ZINC000004783916	170016378	/nfs/dbraw/zinc/01/63/78/170016378.db2.gz	ZZKZGNQWPHPUMG-UHFFFAOYSA-N	0	3	290.348	2.128	50	5		CEBAHN
O=[N+]([O-])c1ccc(OCCN2CCCCC2)cc1	ZINC000004989706	170049977	/nfs/dbraw/zinc/04/99/77/170049977.db2.gz	HLQQRQNEDYOBHS-UHFFFAOYSA-N	0	3	250.298	2.460	50	5		CEBAHN
C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)N1	ZINC000004004448	518180240	/nfs/dbraw/zinc/18/02/40/518180240.db2.gz	PBQHFYMVOTZKJM-RKDXNWHRSA-N	0	3	269.732	2.435	50	5		CEBAHN
CCN(CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001716632	361220074	/nfs/dbraw/zinc/22/00/74/361220074.db2.gz	FRESWUPYXIRXMN-UHFFFAOYSA-N	0	3	266.297	2.093	50	5		CEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1	ZINC000096453674	529046718	/nfs/dbraw/zinc/04/67/18/529046718.db2.gz	JKRNDVSYXQCQAN-UHFFFAOYSA-N	0	3	279.340	2.135	50	5		CEBAHN
C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1	ZINC000097032970	185156648	/nfs/dbraw/zinc/15/66/48/185156648.db2.gz	PQFXMRJBNBCDFJ-LLVKDONJSA-N	0	3	260.297	2.142	50	5		CEBAHN
C[C@@H](N[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1	ZINC000097038554	185509912	/nfs/dbraw/zinc/50/99/12/185509912.db2.gz	LPGOJGXFGVFPPW-ZWNOBZJWSA-N	0	3	250.298	2.424	50	5		CEBAHN
Cc1c(CN(C)CC[C@H](C)O)cccc1[N+](=O)[O-]	ZINC000075782743	363489468	/nfs/dbraw/zinc/48/94/68/363489468.db2.gz	KZIYDSPTWKQFSX-JTQLQIEISA-N	0	3	252.314	2.106	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)N1	ZINC000000053754	361122620	/nfs/dbraw/zinc/12/26/20/361122620.db2.gz	BUVCCOBAINSNSF-KOLCDFICSA-N	0	3	288.225	2.302	50	5		CEBAHN
O=[N+]([O-])c1ccc([C@@H](O)CN2CCCCC2)cc1	ZINC000004362856	361313427	/nfs/dbraw/zinc/31/34/27/361313427.db2.gz	MNZTUVQQZPUFRQ-ZDUSSCGKSA-N	0	3	250.298	2.114	50	5		CEBAHN
CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000009389013	170376003	/nfs/dbraw/zinc/37/60/03/170376003.db2.gz	SVDWJFCXFATQNE-UHFFFAOYSA-N	0	3	292.339	2.201	50	5		CEBAHN
CCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000071912056	176298107	/nfs/dbraw/zinc/29/81/07/176298107.db2.gz	JJFHWXNBHNGIEI-LLVKDONJSA-N	0	3	264.329	2.276	50	5		CEBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Br)cc2)N1	ZINC000000221455	280260284	/nfs/dbraw/zinc/26/02/84/280260284.db2.gz	VYMIHEBRKGBIJG-GXSJLCMTSA-N	0	3	299.124	2.046	50	5		CEBAHN
O=[N+]([O-])c1c2nsnc2ccc1NCCN1CCCC1	ZINC000004427655	361316579	/nfs/dbraw/zinc/31/65/79/361316579.db2.gz	HSHGNBGSXFHYNZ-UHFFFAOYSA-N	0	3	293.352	2.107	50	5		CEBAHN
O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)nc1	ZINC000014327535	361456539	/nfs/dbraw/zinc/45/65/39/361456539.db2.gz	SLDGSDRWDRYQBG-UHFFFAOYSA-N	0	3	262.313	2.029	50	5		CEBAHN
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N1CCCC[C@H]1C	ZINC000248037914	371156598	/nfs/dbraw/zinc/15/65/98/371156598.db2.gz	ZTBCEXKBNRXGIN-GHMZBOCLSA-N	0	3	295.339	2.181	50	5		CEBAHN
CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000270667534	372890413	/nfs/dbraw/zinc/89/04/13/372890413.db2.gz	QLGJJNHTKZGXQJ-ZIAGYGMSSA-N	0	3	295.408	2.072	50	5		CEBAHN
C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(F)c1	ZINC000090539504	539768417	/nfs/dbraw/zinc/76/84/17/539768417.db2.gz	BVPOPMLOCNHQIA-VIFPVBQESA-N	0	3	296.277	2.420	50	5		CEBAHN
C[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[S@](C)=O	ZINC000211268856	538803552	/nfs/dbraw/zinc/80/35/52/538803552.db2.gz	LXUBMYSFGRTNKQ-JJQCHNSYSA-N	0	3	270.354	2.012	50	5		CEBAHN
COc1ccc(CN(C)[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000241409006	370783916	/nfs/dbraw/zinc/78/39/16/370783916.db2.gz	NDTWQEMKGFYQRQ-GXTWGEPZSA-N	0	3	294.351	2.339	50	5		CEBAHN
CN(Cc1ccc([N+](=O)[O-])s1)C1CCN(C)CC1	ZINC000000237437	169582967	/nfs/dbraw/zinc/58/29/67/169582967.db2.gz	QDJOLERLCKXRLH-UHFFFAOYSA-N	0	3	269.370	2.182	50	5		CEBAHN
CN1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000004988841	170049878	/nfs/dbraw/zinc/04/98/78/170049878.db2.gz	YYTUBUJHTGVGJR-QPJJXVBHSA-N	0	3	275.352	2.246	50	5		CEBAHN
C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)N1	ZINC000000228935	274362162	/nfs/dbraw/zinc/36/21/62/274362162.db2.gz	HZFONUHGJQMUKR-RKDXNWHRSA-N	0	3	269.732	2.435	50	5		CEBAHN
C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1	ZINC000004004446	277914663	/nfs/dbraw/zinc/91/46/63/277914663.db2.gz	PBQHFYMVOTZKJM-DTORHVGOSA-N	0	3	269.732	2.435	50	5		CEBAHN
CCCOc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000002479076	361235063	/nfs/dbraw/zinc/23/50/63/361235063.db2.gz	KVLKACSEXGPRLX-JSGCOSHPSA-N	0	3	278.308	2.072	50	5		CEBAHN
CC(C)OCCCNCc1cccc([N+](=O)[O-])c1	ZINC000013718152	361438693	/nfs/dbraw/zinc/43/86/93/361438693.db2.gz	GPAJYAKKKUTYLS-UHFFFAOYSA-N	0	3	252.314	2.500	50	5		CEBAHN
Cc1ccc(CN[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-]	ZINC000228068508	153354679	/nfs/dbraw/zinc/35/46/79/153354679.db2.gz	GCLFEVMDWZLKTQ-MNOVXSKESA-N	0	3	252.314	2.152	50	5		CEBAHN
C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1	ZINC000061030240	175641976	/nfs/dbraw/zinc/64/19/76/175641976.db2.gz	QNJSNSAFVNIKAQ-QMMMGPOBSA-N	0	3	264.281	2.212	50	5		CEBAHN