smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000022611057	204784659	/nfs/dbraw/zinc/78/46/59/204784659.db2.gz	ZSDDEBYWGHUJCI-UHFFFAOYSA-N	1	1	396.447	2.059	50	5		GEBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000079108101	205382764	/nfs/dbraw/zinc/38/27/64/205382764.db2.gz	MVAUFBXRFXHACY-HUUCEWRRSA-N	1	1	385.486	2.071	50	5		GEBAMO
C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000023509147	570325447	/nfs/dbraw/zinc/32/54/47/570325447.db2.gz	CEMMNFRSGYCDOH-OKILXGFUSA-N	1	1	376.457	2.398	50	5		GEBAMO
O=c1[nH]cnc2cc(NCC3([NH+]4CCOCC4)CCCCC3)c([N+](=O)[O-])cc21	ZINC000032837514	570846779	/nfs/dbraw/zinc/84/67/79/570846779.db2.gz	TTYAJMPDISIHAP-UHFFFAOYSA-N	1	1	387.440	2.278	50	5		GEBAMO
O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2cc(Br)ccc2F)n1	ZINC000078993084	205376658	/nfs/dbraw/zinc/37/66/58/205376658.db2.gz	NIUPIQOCAQCXQO-UHFFFAOYSA-N	1	1	387.209	2.187	50	5		GEBAMO
O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2cc(Br)ccc2F)n1	ZINC000078993084	205376661	/nfs/dbraw/zinc/37/66/61/205376661.db2.gz	NIUPIQOCAQCXQO-UHFFFAOYSA-N	1	1	387.209	2.187	50	5		GEBAMO
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(n2c[nH+]cc2C)CC1	ZINC000253426938	206147883	/nfs/dbraw/zinc/14/78/83/206147883.db2.gz	CAFCRYCRFVVUOH-UHFFFAOYSA-N	1	1	380.426	2.134	50	5		GEBAMO
COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000060555671	222060225	/nfs/dbraw/zinc/06/02/25/222060225.db2.gz	LQHHIJNJYFFVFP-QWHCGFSZSA-N	1	1	395.456	2.471	50	5		GEBAMO
O=C(NCC(F)(F)F)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000026689582	570424762	/nfs/dbraw/zinc/42/47/62/570424762.db2.gz	JHKBUVBIXLWXCT-UHFFFAOYSA-N	1	1	385.346	2.293	50	5		GEBAMO
O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH+](CCO)CC1	ZINC000032803840	570822249	/nfs/dbraw/zinc/82/22/49/570822249.db2.gz	BEWVOGAFVLDAAW-UHFFFAOYSA-N	1	1	381.230	2.020	50	5		GEBAMO
COc1ccc(CNC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1	ZINC000012517349	570826164	/nfs/dbraw/zinc/82/61/64/570826164.db2.gz	NYLGECFEQCCHBA-UHFFFAOYSA-N	1	1	384.436	2.285	50	5		GEBAMO
CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000004551226	570863861	/nfs/dbraw/zinc/86/38/61/570863861.db2.gz	ZDGANMBRLDZAKY-ZDUSSCGKSA-N	1	1	379.413	2.207	50	5		GEBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)cc1	ZINC000015265910	570877720	/nfs/dbraw/zinc/87/77/20/570877720.db2.gz	PCBSLIUPMROMMK-SFHVURJKSA-N	1	1	375.400	2.296	50	5		GEBAMO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CCN(Cc2ccccc2)CC1	ZINC000004144116	204028824	/nfs/dbraw/zinc/02/88/24/204028824.db2.gz	OENGFIWDYGDZHV-UHFFFAOYSA-N	1	1	381.480	2.327	50	5		GEBAMO
CC(C)NS(=O)(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000036391341	204321001	/nfs/dbraw/zinc/32/10/01/204321001.db2.gz	DGPWUVRHBZKPGX-AWEZNQCLSA-N	1	1	384.502	2.425	50	5		GEBAMO
O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1	ZINC000036394266	205016120	/nfs/dbraw/zinc/01/61/20/205016120.db2.gz	ZATXZGHQLCGHKF-UHFFFAOYSA-N	1	1	381.436	2.439	50	5		GEBAMO
O=C(Nc1cnccn1)[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253679	570227236	/nfs/dbraw/zinc/22/72/36/570227236.db2.gz	XWUYSONPJBSTCL-CQSZACIVSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(Nc1cnccn1)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253679	570227238	/nfs/dbraw/zinc/22/72/38/570227238.db2.gz	XWUYSONPJBSTCL-CQSZACIVSA-N	1	1	381.396	2.043	50	5		GEBAMO
Nc1nc(N2CCCCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000054147638	570450636	/nfs/dbraw/zinc/45/06/36/570450636.db2.gz	SRRUQIFLGUQHDB-UHFFFAOYSA-N	1	1	397.483	2.280	50	5		GEBAMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933651	/nfs/dbraw/zinc/93/36/51/570933651.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	1	1	392.500	2.061	50	5		GEBAMO
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CC[NH+](Cc2ccccc2)CC1	ZINC000033286152	570954921	/nfs/dbraw/zinc/95/49/21/570954921.db2.gz	JSZWYDGVGKFWDK-UHFFFAOYSA-N	1	1	379.420	2.289	50	5		GEBAMO
CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000106529699	570964311	/nfs/dbraw/zinc/96/43/11/570964311.db2.gz	RXSPLCUJJIBZBV-MJBXVCDLSA-N	1	1	384.502	2.281	50	5		GEBAMO
COc1cccc(CNC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c1	ZINC000008720849	204286168	/nfs/dbraw/zinc/28/61/68/204286168.db2.gz	DGXNYKKTPUZUKY-UHFFFAOYSA-N	1	1	384.436	2.285	50	5		GEBAMO
CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286235	205244000	/nfs/dbraw/zinc/24/40/00/205244000.db2.gz	LWCHOJMIIXAKNW-KRWDZBQOSA-N	1	1	388.424	2.252	50	5		GEBAMO
CCN(CC)C(=O)N1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1	ZINC000048366991	570246816	/nfs/dbraw/zinc/24/68/16/570246816.db2.gz	ZKJHCCFRVBNPMU-UHFFFAOYSA-N	1	1	391.472	2.311	50	5		GEBAMO
COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000032931214	570944980	/nfs/dbraw/zinc/94/49/80/570944980.db2.gz	LQHHIJNJYFFVFP-OLZOCXBDSA-N	1	1	395.456	2.471	50	5		GEBAMO
CNS(=O)(=O)c1ccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000057148204	205154848	/nfs/dbraw/zinc/15/48/48/205154848.db2.gz	RXSPLCUJJIBZBV-HZSPNIEDSA-N	1	1	384.502	2.281	50	5		GEBAMO
COc1ccc(C[NH+]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000027371180	206012058	/nfs/dbraw/zinc/01/20/58/206012058.db2.gz	GXGJEZJILNCBST-UHFFFAOYSA-N	1	1	384.436	2.020	50	5		GEBAMO
C[NH+]1CCN(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)CC1	ZINC000025326845	570747583	/nfs/dbraw/zinc/74/75/83/570747583.db2.gz	VXTXCPRGZJUJES-XDJHFCHBSA-N	1	1	394.431	2.140	50	5		GEBAMO
C[N@@H+](CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1	ZINC000018061955	570797915	/nfs/dbraw/zinc/79/79/15/570797915.db2.gz	QABMTAHYNDHIHR-UHFFFAOYSA-N	1	1	378.454	2.176	50	5		GEBAMO
O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)n2)c1	ZINC000247303018	570996354	/nfs/dbraw/zinc/99/63/54/570996354.db2.gz	FPKXBRAGAPIVAB-QGZVFWFLSA-N	1	1	387.440	2.332	50	5		GEBAMO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2[nH+]ccn2C)CC1	ZINC000084069671	205392550	/nfs/dbraw/zinc/39/25/50/205392550.db2.gz	MXKJGIBBSKKBHD-GFCCVEGCSA-N	1	1	392.847	2.131	50	5		GEBAMO
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1	ZINC000015838312	570274813	/nfs/dbraw/zinc/27/48/13/570274813.db2.gz	DMKBCKAAUXPEKX-UHFFFAOYSA-N	1	1	396.451	2.256	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccccc3)[C@@H]2C1	ZINC000035870232	570468479	/nfs/dbraw/zinc/46/84/79/570468479.db2.gz	JJAMODQHMAFSTD-ICSRJNTNSA-N	1	1	380.448	2.204	50	5		GEBAMO
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000024179048	570471880	/nfs/dbraw/zinc/47/18/80/570471880.db2.gz	SYQHQVIYGLRXDK-UHFFFAOYSA-N	1	1	385.420	2.366	50	5		GEBAMO
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000004832342	204079681	/nfs/dbraw/zinc/07/96/81/204079681.db2.gz	DAHZNMRPCJNOIV-UHFFFAOYSA-N	1	1	384.436	2.360	50	5		GEBAMO
COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000036390441	205016184	/nfs/dbraw/zinc/01/61/84/205016184.db2.gz	LQHHIJNJYFFVFP-STQMWFEESA-N	1	1	395.456	2.471	50	5		GEBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000079108099	205381890	/nfs/dbraw/zinc/38/18/90/205381890.db2.gz	MVAUFBXRFXHACY-GASCZTMLSA-N	1	1	385.486	2.071	50	5		GEBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000079108099	205381896	/nfs/dbraw/zinc/38/18/96/205381896.db2.gz	MVAUFBXRFXHACY-GASCZTMLSA-N	1	1	385.486	2.071	50	5		GEBAMO
CC[C@@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000061921244	136156125	/nfs/dbraw/zinc/15/61/25/136156125.db2.gz	BHLOVQVBORLQOT-CQSZACIVSA-N	1	1	385.472	2.500	50	5		GEBAMO
CCN(CC)C(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1	ZINC000048367743	570247687	/nfs/dbraw/zinc/24/76/87/570247687.db2.gz	GXQICZWUXGTFEJ-UHFFFAOYSA-N	1	1	391.472	2.311	50	5		GEBAMO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000024863997	570320303	/nfs/dbraw/zinc/32/03/03/570320303.db2.gz	ZZKUIRWZWLHXHY-CYBMUJFWSA-N	1	1	379.438	2.314	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2[N+](=O)[O-])N1)OCCCO4	ZINC000012506435	570822477	/nfs/dbraw/zinc/82/24/77/570822477.db2.gz	HMPQHWMTTYPXRZ-MRXNPFEDSA-N	1	1	380.364	2.202	50	5		GEBAMO
CC(C)(C)C1=CC[N@@H+](CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000253423794	209040579	/nfs/dbraw/zinc/04/05/79/209040579.db2.gz	DFNGVPNJBDMQSS-UHFFFAOYSA-N	1	1	382.486	2.332	50	5		GEBAMO
CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000054147632	570450526	/nfs/dbraw/zinc/45/05/26/570450526.db2.gz	ZCSAMXAYFRLJHK-UHFFFAOYSA-N	1	1	385.472	2.135	50	5		GEBAMO
O=C(COc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000019901963	207170022	/nfs/dbraw/zinc/17/00/22/207170022.db2.gz	DXTYIAOFTZLIOE-UHFFFAOYSA-N	1	1	377.441	2.125	50	5		GEBAMO
COc1cccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)c1	ZINC000045797604	208446561	/nfs/dbraw/zinc/44/65/61/208446561.db2.gz	XDBMQWNTMARIAJ-KRWDZBQOSA-N	1	1	393.465	2.493	50	5		GEBAMO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1	ZINC000022242178	136203682	/nfs/dbraw/zinc/20/36/82/136203682.db2.gz	PUZFGFPBBZIKDZ-OAHLLOKOSA-N	1	1	375.400	2.296	50	5		GEBAMO
O=C(Nc1cnccn1)[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253677	570227263	/nfs/dbraw/zinc/22/72/63/570227263.db2.gz	XWUYSONPJBSTCL-AWEZNQCLSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(Nc1cnccn1)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000048253677	570227265	/nfs/dbraw/zinc/22/72/65/570227265.db2.gz	XWUYSONPJBSTCL-AWEZNQCLSA-N	1	1	381.396	2.043	50	5		GEBAMO
C[NH+]1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1	ZINC000006023962	570814729	/nfs/dbraw/zinc/81/47/29/570814729.db2.gz	PDBUGXHXHZRWFY-UHFFFAOYSA-N	1	1	376.438	2.147	50	5		GEBAMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)O1	ZINC000022885313	207263972	/nfs/dbraw/zinc/26/39/72/207263972.db2.gz	GFXFIBUTGXFSDD-KBPBESRZSA-N	1	1	378.473	2.278	50	5		GEBAMO
COc1ccc(NC(=O)CC[NH+]2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1	ZINC000026342323	207312632	/nfs/dbraw/zinc/31/26/32/207312632.db2.gz	OWKUZMOFRADZJQ-UHFFFAOYSA-N	1	1	391.453	2.211	50	5		GEBAMO
CCOCCCNC(=O)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000048260368	570224099	/nfs/dbraw/zinc/22/40/99/570224099.db2.gz	BCSNPROMUQHNCU-UHFFFAOYSA-N	1	1	389.456	2.157	50	5		GEBAMO
CCOc1ccc(Nc2nc(N3CC[NH+](CC)CC3)nc(N)c2[N+](=O)[O-])cc1	ZINC000005025361	570399290	/nfs/dbraw/zinc/39/92/90/570399290.db2.gz	GRFRUMUZKWJUAC-UHFFFAOYSA-N	1	1	387.444	2.251	50	5		GEBAMO
Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000291949349	209135309	/nfs/dbraw/zinc/13/53/09/209135309.db2.gz	QJYHZQUIMJNDKN-QAPCUYQASA-N	1	1	390.484	2.353	50	5		GEBAMO
CC(C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000025327369	207303125	/nfs/dbraw/zinc/30/31/25/207303125.db2.gz	LZHQVORDOMQGKI-GOSISDBHSA-N	1	1	376.457	2.256	50	5		GEBAMO
Cc1nn(C)c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]	ZINC000047331092	570953652	/nfs/dbraw/zinc/95/36/52/570953652.db2.gz	SPBZWVGEMDPNPQ-UHFFFAOYSA-N	1	1	379.848	2.491	50	5		GEBAMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)on1	ZINC000026339798	570325388	/nfs/dbraw/zinc/32/53/88/570325388.db2.gz	ZSAVAGOAYFDVLO-UHFFFAOYSA-N	1	1	387.440	2.346	50	5		GEBAMO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000036389560	570670522	/nfs/dbraw/zinc/67/05/22/570670522.db2.gz	SRUDNTZRYICFSU-NVXWUHKLSA-N	1	1	394.497	2.418	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccccc3)[C@@H]2C1	ZINC000104916098	570907962	/nfs/dbraw/zinc/90/79/62/570907962.db2.gz	JJAMODQHMAFSTD-QUCCMNQESA-N	1	1	380.448	2.204	50	5		GEBAMO
CC[C@H](C)Nc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000061921245	136156071	/nfs/dbraw/zinc/15/60/71/136156071.db2.gz	BHLOVQVBORLQOT-AWEZNQCLSA-N	1	1	385.472	2.500	50	5		GEBAMO
Cc1onc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641470	570663500	/nfs/dbraw/zinc/66/35/00/570663500.db2.gz	PWUCJSHDJZFCLI-OAHLLOKOSA-N	1	1	386.408	2.390	50	5		GEBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1	ZINC000015265908	570877846	/nfs/dbraw/zinc/87/78/46/570877846.db2.gz	PCBSLIUPMROMMK-GOSISDBHSA-N	1	1	375.400	2.296	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCCc3ccccc3)[C@@H]2C1	ZINC000104916102	570908013	/nfs/dbraw/zinc/90/80/13/570908013.db2.gz	QVMXCZXQWQNPHW-CTNGQTDRSA-N	1	1	394.475	2.246	50	5		GEBAMO
Cc1nn2c(SCCCC[NH+]3CCOCC3)nc3ccccc3c2nc1=O	ZINC000585157965	570989254	/nfs/dbraw/zinc/98/92/54/570989254.db2.gz	XXQFABXFDOGRON-UHFFFAOYSA-N	1	1	385.493	2.151	50	5		GEBAMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077790	/nfs/dbraw/zinc/07/77/90/207077790.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	1	1	392.500	2.061	50	5		GEBAMO
Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])n1	ZINC000021763039	207236485	/nfs/dbraw/zinc/23/64/85/207236485.db2.gz	ILWMJYISVVEAIN-MRXNPFEDSA-N	1	1	384.436	2.410	50	5		GEBAMO
COc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1[N+](=O)[O-]	ZINC000023653126	207279548	/nfs/dbraw/zinc/27/95/48/207279548.db2.gz	ZCTQGOWJKNCDME-UHFFFAOYSA-N	1	1	377.441	2.368	50	5		GEBAMO
COc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012866203	570269461	/nfs/dbraw/zinc/26/94/61/570269461.db2.gz	WVKRUJIFKWLPSD-UHFFFAOYSA-N	1	1	385.420	2.366	50	5		GEBAMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000024864002	570320169	/nfs/dbraw/zinc/32/01/69/570320169.db2.gz	ZZKUIRWZWLHXHY-ZDUSSCGKSA-N	1	1	379.438	2.314	50	5		GEBAMO
C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000072306012	570521778	/nfs/dbraw/zinc/52/17/78/570521778.db2.gz	PCSQUJLITRTINO-OAHLLOKOSA-N	1	1	395.847	2.019	50	5		GEBAMO
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000046230584	570526240	/nfs/dbraw/zinc/52/62/40/570526240.db2.gz	PQIARBPLPPELLE-AWEZNQCLSA-N	1	1	380.426	2.084	50	5		GEBAMO
COc1ccc(C[N@H+]2CCCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1	ZINC000011172859	570724413	/nfs/dbraw/zinc/72/44/13/570724413.db2.gz	DZALGCTWKDMYRE-UHFFFAOYSA-N	1	1	384.436	2.415	50	5		GEBAMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000079023781	211152903	/nfs/dbraw/zinc/15/29/03/211152903.db2.gz	KETBOAPSXYQWFS-ZBFHGGJFSA-N	1	1	396.513	2.156	50	5		GEBAMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)O1	ZINC000022885303	570558885	/nfs/dbraw/zinc/55/88/85/570558885.db2.gz	GFXFIBUTGXFSDD-OKILXGFUSA-N	1	1	378.473	2.278	50	5		GEBAMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@H](C)O1	ZINC000022885303	570558887	/nfs/dbraw/zinc/55/88/87/570558887.db2.gz	GFXFIBUTGXFSDD-OKILXGFUSA-N	1	1	378.473	2.278	50	5		GEBAMO
CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1	ZINC000252538627	570991985	/nfs/dbraw/zinc/99/19/85/570991985.db2.gz	NCANGQQJIGLXGW-UHFFFAOYSA-N	1	1	394.497	2.443	50	5		GEBAMO
CC1=CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1	ZINC000252538627	570991988	/nfs/dbraw/zinc/99/19/88/570991988.db2.gz	NCANGQQJIGLXGW-UHFFFAOYSA-N	1	1	394.497	2.443	50	5		GEBAMO
COc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])cc1OC	ZINC000019732474	210290981	/nfs/dbraw/zinc/29/09/81/210290981.db2.gz	GHJBVRNDGRVKAT-KGLIPLIRSA-N	1	1	385.420	2.393	50	5		GEBAMO
NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000048303382	570231885	/nfs/dbraw/zinc/23/18/85/570231885.db2.gz	SNHFVMBPVFBWKV-UHFFFAOYSA-N	1	1	391.378	2.443	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCCc3ccccc3)[C@@H]2C1	ZINC000035870242	570468411	/nfs/dbraw/zinc/46/84/11/570468411.db2.gz	QVMXCZXQWQNPHW-FPOVZHCZSA-N	1	1	394.475	2.246	50	5		GEBAMO
CC[N@@H+](C)C[C@H]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])C1	ZINC000072302146	570506250	/nfs/dbraw/zinc/50/62/50/570506250.db2.gz	OKSJQKYPDBCEBF-CQSZACIVSA-N	1	1	384.502	2.060	50	5		GEBAMO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000032932666	570945640	/nfs/dbraw/zinc/94/56/40/570945640.db2.gz	SRUDNTZRYICFSU-RDJZCZTQSA-N	1	1	394.497	2.418	50	5		GEBAMO
Cc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])c1	ZINC000020267614	210327439	/nfs/dbraw/zinc/32/74/39/210327439.db2.gz	UAWPCMMEJVHXTK-UHFFFAOYSA-N	1	1	387.444	2.153	50	5		GEBAMO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000008055363	535748376	/nfs/dbraw/zinc/74/83/76/535748376.db2.gz	XUEUFBYFXSJAQV-OAHLLOKOSA-N	1	1	396.513	2.157	50	5		GEBAMO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000036389561	570670691	/nfs/dbraw/zinc/67/06/91/570670691.db2.gz	SRUDNTZRYICFSU-DOTOQJQBSA-N	1	1	394.497	2.418	50	5		GEBAMO
CC(C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000025327370	570747147	/nfs/dbraw/zinc/74/71/47/570747147.db2.gz	LZHQVORDOMQGKI-SFHVURJKSA-N	1	1	376.457	2.256	50	5		GEBAMO
COc1cc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc([N+](=O)[O-])c1O	ZINC000000846789	209271783	/nfs/dbraw/zinc/27/17/83/209271783.db2.gz	WBWBJCIBQMNVMW-KRWDZBQOSA-N	1	1	381.454	2.369	50	5		GEBAMO
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1	ZINC000019867365	210304438	/nfs/dbraw/zinc/30/44/38/210304438.db2.gz	PYQIFAWPYHAVSV-INIZCTEOSA-N	1	1	375.400	2.296	50	5		GEBAMO
O=C(Nc1cnccn1)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048289278	570228480	/nfs/dbraw/zinc/22/84/80/570228480.db2.gz	JULSKJIXNIAWJU-ZDUSSCGKSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(Nc1cnccn1)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048289278	570228484	/nfs/dbraw/zinc/22/84/84/570228484.db2.gz	JULSKJIXNIAWJU-ZDUSSCGKSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(Nc1cnccn1)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048289280	570228586	/nfs/dbraw/zinc/22/85/86/570228586.db2.gz	JULSKJIXNIAWJU-CYBMUJFWSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(Nc1cnccn1)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000048289280	570228587	/nfs/dbraw/zinc/22/85/87/570228587.db2.gz	JULSKJIXNIAWJU-CYBMUJFWSA-N	1	1	381.396	2.043	50	5		GEBAMO
O=C(NCC(F)(F)F)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1	ZINC000026688949	570424863	/nfs/dbraw/zinc/42/48/63/570424863.db2.gz	CELNVWBCIZXUPY-UHFFFAOYSA-N	1	1	385.346	2.293	50	5		GEBAMO
Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn1	ZINC000047385627	570955110	/nfs/dbraw/zinc/95/51/10/570955110.db2.gz	ZNJZSQHTYIEJJW-UHFFFAOYSA-N	1	1	390.363	2.317	50	5		GEBAMO
COc1cc([C@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc([N+](=O)[O-])c1O	ZINC000000846790	209272325	/nfs/dbraw/zinc/27/23/25/209272325.db2.gz	WBWBJCIBQMNVMW-QGZVFWFLSA-N	1	1	381.454	2.369	50	5		GEBAMO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2[nH+]ccn2C)CC1	ZINC000084069668	211165809	/nfs/dbraw/zinc/16/58/09/211165809.db2.gz	MXKJGIBBSKKBHD-LBPRGKRZSA-N	1	1	392.847	2.131	50	5		GEBAMO
CNc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012587203	570882135	/nfs/dbraw/zinc/88/21/35/570882135.db2.gz	BLNRQCFVUIXJAV-UHFFFAOYSA-N	1	1	384.436	2.399	50	5		GEBAMO
CN(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000012588349	570882644	/nfs/dbraw/zinc/88/26/44/570882644.db2.gz	QOLDHMNJTHEQOC-UHFFFAOYSA-N	1	1	398.463	2.423	50	5		GEBAMO
C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000072306011	211087247	/nfs/dbraw/zinc/08/72/47/211087247.db2.gz	PCSQUJLITRTINO-HNNXBMFYSA-N	1	1	395.847	2.019	50	5		GEBAMO
Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])n1	ZINC000021763041	210390752	/nfs/dbraw/zinc/39/07/52/210390752.db2.gz	ILWMJYISVVEAIN-INIZCTEOSA-N	1	1	384.436	2.410	50	5		GEBAMO
Cc1nn(Cc2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)c(C)c1[N+](=O)[O-]	ZINC000002786806	209384960	/nfs/dbraw/zinc/38/49/60/209384960.db2.gz	RYQKAMNPHORUNZ-GOOCMWNKSA-N	1	1	387.440	2.404	50	5		GEBAMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000079023785	211152298	/nfs/dbraw/zinc/15/22/98/211152298.db2.gz	KETBOAPSXYQWFS-HOCLYGCPSA-N	1	1	396.513	2.156	50	5		GEBAMO
Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])cc1	ZINC000020329347	210329946	/nfs/dbraw/zinc/32/99/46/210329946.db2.gz	FABDKRRLVJABLU-UHFFFAOYSA-N	1	1	387.444	2.153	50	5		GEBAMO
C[NH+]1CCN(CCc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cc2)CC1	ZINC000040449752	221925433	/nfs/dbraw/zinc/92/54/33/221925433.db2.gz	IZGIHEREAHLNJC-UHFFFAOYSA-N	1	1	383.452	2.219	50	5		GEBAMO
CC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])C1	ZINC000072302145	570506311	/nfs/dbraw/zinc/50/63/11/570506311.db2.gz	OKSJQKYPDBCEBF-AWEZNQCLSA-N	1	1	384.502	2.060	50	5		GEBAMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H](C)O1	ZINC000022885299	570559072	/nfs/dbraw/zinc/55/90/72/570559072.db2.gz	GFXFIBUTGXFSDD-ZIAGYGMSSA-N	1	1	378.473	2.278	50	5		GEBAMO
Cc1nonc1OCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1	ZINC000018194812	210217230	/nfs/dbraw/zinc/21/72/30/210217230.db2.gz	XMHSLAKDESKMRW-UHFFFAOYSA-N	1	1	384.396	2.035	50	5		GEBAMO
CCOc1cc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)ccc1[N+](=O)[O-]	ZINC000072307811	211086429	/nfs/dbraw/zinc/08/64/29/211086429.db2.gz	IWNDHWQQXGPBDR-UHFFFAOYSA-N	1	1	378.473	2.374	50	5		GEBAMO
CCOc1cc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)ccc1[N+](=O)[O-]	ZINC000072307811	211086432	/nfs/dbraw/zinc/08/64/32/211086432.db2.gz	IWNDHWQQXGPBDR-UHFFFAOYSA-N	1	1	378.473	2.374	50	5		GEBAMO
CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000067286232	211007284	/nfs/dbraw/zinc/00/72/84/211007284.db2.gz	LWCHOJMIIXAKNW-QGZVFWFLSA-N	1	1	388.424	2.252	50	5		GEBAMO
CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000008055360	535747666	/nfs/dbraw/zinc/74/76/66/535747666.db2.gz	XUEUFBYFXSJAQV-HNNXBMFYSA-N	1	1	396.513	2.157	50	5		GEBAMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)on1	ZINC000026339782	570325205	/nfs/dbraw/zinc/32/52/05/570325205.db2.gz	ZICLEAVCTJWRMT-UHFFFAOYSA-N	1	1	387.440	2.346	50	5		GEBAMO
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000046230582	570526257	/nfs/dbraw/zinc/52/62/57/570526257.db2.gz	PQIARBPLPPELLE-CQSZACIVSA-N	1	1	380.426	2.084	50	5		GEBAMO
COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-]	ZINC000032935737	570947987	/nfs/dbraw/zinc/94/79/87/570947987.db2.gz	PQINLYYPOLGSJK-OKILXGFUSA-N	1	1	385.486	2.250	50	5		GEBAMO
Cc1onc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641473	221278369	/nfs/dbraw/zinc/27/83/69/221278369.db2.gz	PWUCJSHDJZFCLI-HNNXBMFYSA-N	1	1	386.408	2.390	50	5		GEBAMO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCCC2)c1[N+](=O)[O-]	ZINC000020267140	570250673	/nfs/dbraw/zinc/25/06/73/570250673.db2.gz	ARMQOGVIQCTAIE-UHFFFAOYSA-N	1	1	397.483	2.280	50	5		GEBAMO
CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000004551225	570863964	/nfs/dbraw/zinc/86/39/64/570863964.db2.gz	ZDGANMBRLDZAKY-CYBMUJFWSA-N	1	1	379.413	2.207	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc([N+](=O)[O-])c2)N1)OCCCO4	ZINC000012506431	221200024	/nfs/dbraw/zinc/20/00/24/221200024.db2.gz	DHJXNYOLIWAPSW-MRXNPFEDSA-N	1	1	380.364	2.202	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc([N+](=O)[O-])cc2)N1)OCCCO4	ZINC000012551692	221204548	/nfs/dbraw/zinc/20/45/48/221204548.db2.gz	JSLLWTGYPRUTRR-MRXNPFEDSA-N	1	1	380.364	2.202	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)N1)OCCCO4	ZINC000012551691	221204652	/nfs/dbraw/zinc/20/46/52/221204652.db2.gz	JSLLWTGYPRUTRR-INIZCTEOSA-N	1	1	380.364	2.202	50	5		GEBAMO
COc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000004833794	570306228	/nfs/dbraw/zinc/30/62/28/570306228.db2.gz	KQZSIEHEKVDTNL-UHFFFAOYSA-N	1	1	384.436	2.360	50	5		GEBAMO
CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CC[NH+](CC)CC3)n2)cc1	ZINC000005249729	570525161	/nfs/dbraw/zinc/52/51/61/570525161.db2.gz	RTGRXLSKHMPJJW-UHFFFAOYSA-N	1	1	387.444	2.251	50	5		GEBAMO
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CC[NH+](C)CC3)c12	ZINC000036618496	570759804	/nfs/dbraw/zinc/75/98/04/570759804.db2.gz	CBQHJOLPTJBLPG-UHFFFAOYSA-N	1	1	381.392	2.494	50	5		GEBAMO
O=C(COc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CCCCC1	ZINC000025784478	570958788	/nfs/dbraw/zinc/95/87/88/570958788.db2.gz	MDHIDOJSXJPOSD-UHFFFAOYSA-N	1	1	377.441	2.125	50	5		GEBAMO
COc1cccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[NH+](C)C)c1	ZINC000045797605	570996700	/nfs/dbraw/zinc/99/67/00/570996700.db2.gz	XDBMQWNTMARIAJ-QGZVFWFLSA-N	1	1	393.465	2.493	50	5		GEBAMO
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)[nH+]1	ZINC000015838311	221347154	/nfs/dbraw/zinc/34/71/54/221347154.db2.gz	NWXAKHAGJJWXLJ-UHFFFAOYSA-N	1	1	396.451	2.256	50	5		GEBAMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369821	/nfs/dbraw/zinc/36/98/21/221369821.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	1	1	392.500	2.061	50	5		GEBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000079108106	222303604	/nfs/dbraw/zinc/30/36/04/222303604.db2.gz	MVAUFBXRFXHACY-GJZGRUSLSA-N	1	1	385.486	2.071	50	5		GEBAMO
CNS(=O)(=O)c1ccc(N(C)CC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1	ZINC000048310601	570233063	/nfs/dbraw/zinc/23/30/63/570233063.db2.gz	QQYICOLDWLYMNR-UHFFFAOYSA-N	1	1	384.502	2.204	50	5		GEBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000026832973	570439086	/nfs/dbraw/zinc/43/90/86/570439086.db2.gz	RNZOJIBMGANJBX-UHFFFAOYSA-N	1	1	375.450	2.322	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2[N+](=O)[O-])N1)OCCCO4	ZINC000012506433	221200126	/nfs/dbraw/zinc/20/01/26/221200126.db2.gz	HMPQHWMTTYPXRZ-INIZCTEOSA-N	1	1	380.364	2.202	50	5		GEBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc([N+](=O)[O-])c2)N1)OCCCO4	ZINC000012506429	221200512	/nfs/dbraw/zinc/20/05/12/221200512.db2.gz	DHJXNYOLIWAPSW-INIZCTEOSA-N	1	1	380.364	2.202	50	5		GEBAMO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1	ZINC000022242181	136203634	/nfs/dbraw/zinc/20/36/34/136203634.db2.gz	PUZFGFPBBZIKDZ-HNNXBMFYSA-N	1	1	375.400	2.296	50	5		GEBAMO
CC(C)NS(=O)(=O)c1ccc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000036391340	570673456	/nfs/dbraw/zinc/67/34/56/570673456.db2.gz	DGPWUVRHBZKPGX-CQSZACIVSA-N	1	1	384.502	2.425	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1	ZINC000104916263	570908066	/nfs/dbraw/zinc/90/80/66/570908066.db2.gz	AQSJXCALRPKDMU-QUCCMNQESA-N	1	1	398.438	2.343	50	5		GEBAMO
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(S(=O)(=O)N2CCCC2)c1	ZINC000032932665	570945610	/nfs/dbraw/zinc/94/56/10/570945610.db2.gz	SRUDNTZRYICFSU-WBVHZDCISA-N	1	1	394.497	2.418	50	5		GEBAMO
Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]1	ZINC000015838309	221346610	/nfs/dbraw/zinc/34/66/10/221346610.db2.gz	ALINQBFIDFHDHW-UHFFFAOYSA-N	1	1	396.451	2.256	50	5		GEBAMO
CN1CC[NH+](Cc2ccccc2CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	ZINC000032915604	570926526	/nfs/dbraw/zinc/92/65/26/570926526.db2.gz	AESMOSABIBXWGW-UHFFFAOYSA-N	1	1	398.463	2.037	50	5		GEBAMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932906	/nfs/dbraw/zinc/93/29/06/570932906.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	1	1	392.500	2.061	50	5		GEBAMO
CC(=O)Oc1cn(CC[NH+]2CCOCC2)c2nc(C)n3c4ccccc4nc3c12	ZINC000013237788	221264066	/nfs/dbraw/zinc/26/40/66/221264066.db2.gz	PZFWSRCPTSIAOP-UHFFFAOYSA-N	1	1	393.447	2.403	50	5		GEBAMO
COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2	ZINC000032682417	570737689	/nfs/dbraw/zinc/73/76/89/570737689.db2.gz	ZIWPGCIGFJIWQR-KRWDZBQOSA-N	1	1	388.420	2.410	50	5		GEBAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2	ZINC000032682417	570737692	/nfs/dbraw/zinc/73/76/92/570737692.db2.gz	ZIWPGCIGFJIWQR-KRWDZBQOSA-N	1	1	388.420	2.410	50	5		GEBAMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000107072106	570970552	/nfs/dbraw/zinc/97/05/52/570970552.db2.gz	KETBOAPSXYQWFS-GDBMZVCRSA-N	1	1	396.513	2.156	50	5		GEBAMO
O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]ccn3C2)c(S(=O)(=O)N2CCCC2)c1	ZINC000058168022	222042704	/nfs/dbraw/zinc/04/27/04/222042704.db2.gz	AZYIRECMIRBXKC-CYBMUJFWSA-N	1	1	391.453	2.003	50	5		GEBAMO
O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)NCCC[NH+]1CCOCC1	ZINC000020533640	570265740	/nfs/dbraw/zinc/26/57/40/570265740.db2.gz	INLSKBDAUWKJTR-UHFFFAOYSA-N	1	1	396.443	2.164	50	5		GEBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3cccc(F)c3)[C@@H]2C1	ZINC000035870903	570468331	/nfs/dbraw/zinc/46/83/31/570468331.db2.gz	AQSJXCALRPKDMU-ICSRJNTNSA-N	1	1	398.438	2.343	50	5		GEBAMO
O=C(C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1	ZINC000078947851	570510218	/nfs/dbraw/zinc/51/02/18/570510218.db2.gz	XSJQIWRKBCZYFN-INIZCTEOSA-N	1	1	377.441	2.077	50	5		GEBAMO
O=C(C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1	ZINC000078947851	570510220	/nfs/dbraw/zinc/51/02/20/570510220.db2.gz	XSJQIWRKBCZYFN-INIZCTEOSA-N	1	1	377.441	2.077	50	5		GEBAMO
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-]	ZINC000291949346	570667822	/nfs/dbraw/zinc/66/78/22/570667822.db2.gz	QJYHZQUIMJNDKN-CRAIPNDOSA-N	1	1	390.484	2.353	50	5		GEBAMO
COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c(OC)c1OC	ZINC000032931213	570945042	/nfs/dbraw/zinc/94/50/42/570945042.db2.gz	LQHHIJNJYFFVFP-CHWSQXEVSA-N	1	1	395.456	2.471	50	5		GEBAMO
COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2	ZINC000032682414	570737588	/nfs/dbraw/zinc/73/75/88/570737588.db2.gz	ZIWPGCIGFJIWQR-QGZVFWFLSA-N	1	1	388.420	2.410	50	5		GEBAMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2	ZINC000032682414	570737591	/nfs/dbraw/zinc/73/75/91/570737591.db2.gz	ZIWPGCIGFJIWQR-QGZVFWFLSA-N	1	1	388.420	2.410	50	5		GEBAMO