smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)/C=C/c1ccc([N+](=O)[O-])o1	162095	342930191	/nfs/dbraw/zinc/93/01/91/342930191.db2.gz	HBRSUZGVNXCYMU-VOTSOKGWSA-N	1	0	197.214	1.865	40	5		ADBBRO
CC(C)(O)C1CC[N+](C)(C)CC1	162284	342930199	/nfs/dbraw/zinc/93/01/99/342930199.db2.gz	UOCAEMMUOXQRNY-UHFFFAOYSA-N	1	0	172.292	1.244	40	5		ADBBRO
C[C@H]([C@H](O)C(F)(F)F)[N+](C)(C)C	1666950	342955589	/nfs/dbraw/zinc/95/55/89/342955589.db2.gz	MIGIGGFRQPINAZ-RITPCOANSA-N	1	0	186.197	1.004	40	5		ADBBRO
CCCC[N+](C)([NH3+])CCCC	1670599	342956001	/nfs/dbraw/zinc/95/60/01/342956001.db2.gz	VDYNHOUHKQHMNK-UHFFFAOYSA-N	1	0	159.297	1.907	40	5		ADBBRO
CC(C)[NH2+]CC(C)(C)[N+](=O)[O-]	1759102	342964221	/nfs/dbraw/zinc/96/42/21/342964221.db2.gz	RJWPORRWKYCXJF-UHFFFAOYSA-N	1	0	160.217	1.040	40	5		ADBBRO
C[N+](C)(C)CC1CCCC1	1704927	342960668	/nfs/dbraw/zinc/96/06/68/342960668.db2.gz	YXKYPKLQNIJACL-UHFFFAOYSA-N	1	0	142.266	1.883	40	5		ADBBRO
Cc1ccc([N+](=O)[O-])cc1C(N)=[NH2+]	50280162	343281126	/nfs/dbraw/zinc/28/11/26/343281126.db2.gz	WHMHXSBNTKWPMG-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
C/C(Cl)=C\C[N+](C)(C)C	17312667	166057884	/nfs/dbraw/zinc/05/78/84/166057884.db2.gz	GPOGGCGGDJOXSN-FNORWQNLSA-N	1	0	148.657	1.835	40	5		ADBBRO
C/C(Cl)=C/C[N+](C)(C)C	1682438	166058143	/nfs/dbraw/zinc/05/81/43/166058143.db2.gz	GPOGGCGGDJOXSN-ALCCZGGFSA-N	1	0	148.657	1.835	40	5		ADBBRO
C/C=C\C(=O)OCCC[N+](C)(C)C	5202929	166068229	/nfs/dbraw/zinc/06/82/29/166068229.db2.gz	WRHIWERDIANFLG-ALCCZGGFSA-N	1	0	186.275	1.202	40	5		ADBBRO
C1CC[N+]2(CC1)CCC2	1646412	166094351	/nfs/dbraw/zinc/09/43/51/166094351.db2.gz	GXIXWPUHKBADJV-UHFFFAOYSA-N	1	0	126.223	1.391	40	5		ADBBRO
C=CC(=O)OCC[N+](C)(CC)CC	2571940	166159865	/nfs/dbraw/zinc/15/98/65/166159865.db2.gz	HAQFTESTCOJJLU-UHFFFAOYSA-N	1	0	186.275	1.202	40	5		ADBBRO
CC(=O)C(C)(C)C[N+](C)(C)C	162329	166235032	/nfs/dbraw/zinc/23/50/32/166235032.db2.gz	RCAVEUOVPYHIAE-UHFFFAOYSA-N	1	0	158.265	1.308	40	5		ADBBRO
CC(=O)Nc1ccc([N+](C)(C)C)cc1	1556316	166284084	/nfs/dbraw/zinc/28/40/84/166284084.db2.gz	RZHGKQFNLRORIS-UHFFFAOYSA-O	1	0	193.270	1.842	40	5		ADBBRO
CC(=O)OC[N+]1(C)CCCCC1	1563697	166289393	/nfs/dbraw/zinc/28/93/93/166289393.db2.gz	GYFBXYHIKBWKBO-UHFFFAOYSA-N	1	0	172.248	1.138	40	5		ADBBRO
CC(=O)S[C@@H](C)C[N+](C)(C)C	9970348	166295056	/nfs/dbraw/zinc/29/50/56/166295056.db2.gz	SHEXQJZFGTZWSV-ZETCQYMHSA-N	1	0	176.305	1.361	40	5	in-vitro	ADBBRO
CC(=O)S[C@H](C)C[N+](C)(C)C	9970349	166295917	/nfs/dbraw/zinc/29/59/17/166295917.db2.gz	SHEXQJZFGTZWSV-SSDOTTSWSA-N	1	0	176.305	1.361	40	5	in-vitro	ADBBRO
CC(C)(C)C[N+](C)(C)C	1626870	166356827	/nfs/dbraw/zinc/35/68/27/166356827.db2.gz	DXOCDYAMAATVKX-UHFFFAOYSA-N	1	0	130.255	1.739	40	5		ADBBRO
CC(C)(C)[N+]1(C)CCOCC1	5284189	166380280	/nfs/dbraw/zinc/38/02/80/166380280.db2.gz	DVHCVQKVGCHJSO-UHFFFAOYSA-N	1	0	158.265	1.262	40	5		ADBBRO
CC(C)(C[NH3+])c1ccc([N+](=O)[O-])cc1	59672897	166397996	/nfs/dbraw/zinc/39/79/96/166397996.db2.gz	VAXHPBASXFFHMG-UHFFFAOYSA-N	1	0	194.234	1.831	40	5		ADBBRO
CC(C)[C@H]1OCC[N+]1(C)C	114258	166621033	/nfs/dbraw/zinc/62/10/33/166621033.db2.gz	OBZAJIPZVGVKSI-MRVPVSSYSA-N	1	0	144.238	1.075	40	5		ADBBRO
CC(C)[C@H]1[C@@H](C)[N+]1(C)C	1598108	166622723	/nfs/dbraw/zinc/62/27/23/166622723.db2.gz	HASBJARFENCQHV-SFYZADRCSA-N	1	0	128.239	1.490	40	5		ADBBRO
CC1(C)OC[C@@](C)(C[N+](C)(C)C)O1	5179384	166696557	/nfs/dbraw/zinc/69/65/57/166696557.db2.gz	WHNJVMVJMOWJCG-SNVBAGLBSA-N	1	0	188.291	1.234	40	5		ADBBRO
CCCOCC[N+](C)(C)C	1586784	167014877	/nfs/dbraw/zinc/01/48/77/167014877.db2.gz	VUOALROPAIMXGN-UHFFFAOYSA-N	1	0	146.254	1.119	40	5		ADBBRO
CCOC(C[N+](C)(C)C)OCC	1627141	167380765	/nfs/dbraw/zinc/38/07/65/167380765.db2.gz	FZTPQGDNPICRDP-UHFFFAOYSA-N	1	0	176.280	1.092	40	5	in-vitro	ADBBRO
CC[C@@]1([N+](C)(C)C)CS[C@H]1C	1873897	167584076	/nfs/dbraw/zinc/58/40/76/167584076.db2.gz	AZXXNFMMRVLOIM-DTWKUNHWSA-N	1	0	174.333	1.977	40	5		ADBBRO
CC[N+]1(C)C[C@H]2CC[C@@H]1C2	1609650	167713648	/nfs/dbraw/zinc/71/36/48/167713648.db2.gz	DGFIOEIFPGCZQT-QIIDTADFSA-N	1	0	140.250	1.635	40	5		ADBBRO
CC[N+](C)(C)CC(C)C	1709064	167714382	/nfs/dbraw/zinc/71/43/82/167714382.db2.gz	TUFNCRWGQFDPIE-UHFFFAOYSA-N	1	0	130.255	1.739	40	5		ADBBRO
C[NH2+]Cc1cc([N+](=O)[O-])nn1C(C)C	72209738	168017210	/nfs/dbraw/zinc/01/72/10/168017210.db2.gz	YXMZNDBMZCETKJ-UHFFFAOYSA-N	1	0	198.226	1.092	40	5		ADBBRO
COC(=O)CCCC[N+](C)(C)C	2574924	168085550	/nfs/dbraw/zinc/08/55/50/168085550.db2.gz	SGUYCQSBQYCCQY-UHFFFAOYSA-N	1	0	174.264	1.036	40	5		ADBBRO
COCC[N+]1(C)CCCCC1	3164616	168174298	/nfs/dbraw/zinc/17/42/98/168174298.db2.gz	DSIZWXRKCNMRRB-UHFFFAOYSA-N	1	0	158.265	1.263	40	5		ADBBRO
COc1ccccc1[N+](C)(C)C	1705262	168277918	/nfs/dbraw/zinc/27/79/18/168277918.db2.gz	RWEJDDMSMKNOLF-UHFFFAOYSA-N	1	0	166.244	1.892	40	5		ADBBRO
CSc1nccc([N+](C)(C)C)n1	1685263	168315673	/nfs/dbraw/zinc/31/56/73/168315673.db2.gz	BNCRUDZECBOKGV-UHFFFAOYSA-N	1	0	184.288	1.395	40	5		ADBBRO
C[C@@H](C[NH3+])Cc1ccc([N+](=O)[O-])cc1	83982978	168342507	/nfs/dbraw/zinc/34/25/07/168342507.db2.gz	JEWHKRSYYIACGL-MRVPVSSYSA-N	1	0	194.234	1.732	40	5		ADBBRO
C[C@@H]([NH3+])CCc1ccc([N+](=O)[O-])cc1	37408530	168363502	/nfs/dbraw/zinc/36/35/02/168363502.db2.gz	PAMYUQVUAZHEQE-MRVPVSSYSA-N	1	0	194.234	1.875	40	5	in-vitro	ADBBRO
C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1	5336157	168364220	/nfs/dbraw/zinc/36/42/20/168364220.db2.gz	FNCCYJJIKIHMLE-SSDOTTSWSA-N	1	0	195.222	1.354	40	5		ADBBRO
C[C@@H]([C@@H](O)C(F)(F)F)[N+](C)(C)C	1666951	168405767	/nfs/dbraw/zinc/40/57/67/168405767.db2.gz	MIGIGGFRQPINAZ-NTSWFWBYSA-N	1	0	186.197	1.004	40	5		ADBBRO
C[C@H](C[NH3+])Cc1ccc([N+](=O)[O-])cc1	83982977	168530905	/nfs/dbraw/zinc/53/09/05/168530905.db2.gz	JEWHKRSYYIACGL-QMMMGPOBSA-N	1	0	194.234	1.732	40	5		ADBBRO
C[C@H]([NH3+])CCc1ccc([N+](=O)[O-])cc1	37408529	168548236	/nfs/dbraw/zinc/54/82/36/168548236.db2.gz	PAMYUQVUAZHEQE-QMMMGPOBSA-N	1	0	194.234	1.875	40	5	in-vitro	ADBBRO
C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1	5335953	168549739	/nfs/dbraw/zinc/54/97/39/168549739.db2.gz	FNCCYJJIKIHMLE-ZETCQYMHSA-N	1	0	195.222	1.354	40	5		ADBBRO
C[C@H]1CCCCC[N+]1(C)CCO	1670745	168599729	/nfs/dbraw/zinc/59/97/29/168599729.db2.gz	IMPZAGNPKLMELA-VUWPPUDQSA-N	1	0	172.292	1.388	40	5		ADBBRO
C[C@H]1CC[N+]2(CCCC2)C1	3847335	168626149	/nfs/dbraw/zinc/62/61/49/168626149.db2.gz	UCBBCEVTLADGLV-VIFPVBQESA-N	1	0	140.250	1.637	40	5		ADBBRO
C[N+](C)(C)C(=O)c1ccccc1	1555237	168692078	/nfs/dbraw/zinc/69/20/78/168692078.db2.gz	KRZRNXHQZJZPPZ-UHFFFAOYSA-N	1	0	164.228	1.533	40	5		ADBBRO
C[N+](C)(C)CCC(=O)c1ccco1	1594233	168692115	/nfs/dbraw/zinc/69/21/15/168692115.db2.gz	IOEMQQYVZHIGFK-UHFFFAOYSA-N	1	0	182.243	1.559	40	5		ADBBRO
C[N+](C)(C)C[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1CO	4722721	168692482	/nfs/dbraw/zinc/69/24/82/168692482.db2.gz	AAJFWWCDOLJDSY-KXNHARMFSA-N	1	0	196.314	1.123	40	5		ADBBRO
C[N+](C)(C)CC1=CCC=C1	100027465	168693130	/nfs/dbraw/zinc/69/31/30/168693130.db2.gz	ZSRFXSFAYWARIR-UHFFFAOYSA-N	1	0	137.226	1.612	40	5		ADBBRO
C[N+](C)(C)Cc1ccco1	1500	168693158	/nfs/dbraw/zinc/69/31/58/168693158.db2.gz	HEDXEAAVEOJUCR-UHFFFAOYSA-N	1	0	140.206	1.486	40	5	in-man	ADBBRO
C[n+]1cccc2cccc([N+](=O)[O-])c21	1597645	168696688	/nfs/dbraw/zinc/69/66/88/168696688.db2.gz	MLOZAKRYTHWSHJ-UHFFFAOYSA-N	1	0	189.194	1.573	40	5		ADBBRO
NC(=[NH2+])Cc1cccc([N+](=O)[O-])c1	72226062	169137349	/nfs/dbraw/zinc/13/73/49/169137349.db2.gz	SQEBBRNWZVWZBZ-UHFFFAOYSA-N	1	0	179.179	1.073	40	5		ADBBRO
NC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1	2007459	169138391	/nfs/dbraw/zinc/13/83/91/169138391.db2.gz	GQBBCZNEDGPMCS-UHFFFAOYSA-N	1	0	179.179	1.073	40	5		ADBBRO
NC(=[NH2+])c1cc([N+](=O)[O-])ccc1Cl	116701389	169139202	/nfs/dbraw/zinc/13/92/02/169139202.db2.gz	OZIRKNWIBVTGPI-UHFFFAOYSA-N	1	0	199.597	1.532	40	5		ADBBRO
NC(=[NH2+])Sc1ccc([N+](=O)[O-])cc1	4768949	169139709	/nfs/dbraw/zinc/13/97/09/169139709.db2.gz	ARYPFKUPPWSJIR-UHFFFAOYSA-N	1	0	197.219	1.580	40	5		ADBBRO
NC(=[NH2+])c1ccc(F)cc1[N+](=O)[O-]	199562289	169140749	/nfs/dbraw/zinc/14/07/49/169140749.db2.gz	KNTNZGJSNHYCNP-UHFFFAOYSA-N	1	0	183.142	1.018	40	5		ADBBRO
NC(=[NH2+])c1ccc(Cl)cc1[N+](=O)[O-]	199562046	169140764	/nfs/dbraw/zinc/14/07/64/169140764.db2.gz	LUKZREORFWNALH-UHFFFAOYSA-N	1	0	199.597	1.532	40	5		ADBBRO
NC(=[NH2+])c1ccc([N+](=O)[O-])c(F)c1	199558263	169140884	/nfs/dbraw/zinc/14/08/84/169140884.db2.gz	ZQSGPYAYQZBAOU-UHFFFAOYSA-N	1	0	183.142	1.018	40	5		ADBBRO
NC(=[NH2+])c1ccc([N+](=O)[O-])cc1F	199759814	169141445	/nfs/dbraw/zinc/14/14/45/169141445.db2.gz	VXBJBPUNKVVMHT-UHFFFAOYSA-N	1	0	183.142	1.018	40	5		ADBBRO
NC(=[NH2+])c1ccc(F)c([N+](=O)[O-])c1	199562315	169141492	/nfs/dbraw/zinc/14/14/92/169141492.db2.gz	NSGTYBKXNFWHSA-UHFFFAOYSA-N	1	0	183.142	1.018	40	5		ADBBRO
NC(=[NH2+])c1ccc(Cl)c([N+](=O)[O-])c1	199562089	169141927	/nfs/dbraw/zinc/14/19/27/169141927.db2.gz	ZUKHKWIGLYRPPQ-UHFFFAOYSA-N	1	0	199.597	1.532	40	5		ADBBRO
[NH3+]CCCOc1cccc([N+](=O)[O-])c1	34211401	169185179	/nfs/dbraw/zinc/18/51/79/169185179.db2.gz	QMRSDYBQUDEVCQ-UHFFFAOYSA-N	1	0	196.206	1.322	40	5		ADBBRO
[NH3+]CCCc1cccc([N+](=O)[O-])c1	35321571	169185636	/nfs/dbraw/zinc/18/56/36/169185636.db2.gz	AQHGANCIALTFMZ-UHFFFAOYSA-N	1	0	180.207	1.486	40	5		ADBBRO
[NH3+]CCSc1ccc([N+](=O)[O-])cc1	34109720	169193126	/nfs/dbraw/zinc/19/31/26/169193126.db2.gz	UHSRWMWPWJVZAZ-UHFFFAOYSA-N	1	0	198.247	1.646	40	5		ADBBRO
[NH3+]Cc1c(F)cccc1[N+](=O)[O-]	83339992	169218625	/nfs/dbraw/zinc/21/86/25/169218625.db2.gz	YBAPHTXMJJUSFH-UHFFFAOYSA-N	1	0	170.143	1.193	40	5		ADBBRO
[NH3+]Cc1cc(F)cc([N+](=O)[O-])c1F	82636065	169220341	/nfs/dbraw/zinc/22/03/41/169220341.db2.gz	DLBKXKAWNASZQG-UHFFFAOYSA-N	1	0	188.133	1.332	40	5		ADBBRO
[NH3+]Cc1ccc([N+](=O)[O-])c(Cl)c1	77031576	169223433	/nfs/dbraw/zinc/22/34/33/169223433.db2.gz	LPJUIKHUOVDBLR-UHFFFAOYSA-N	1	0	186.598	1.707	40	5		ADBBRO
[NH3+][C@@H]1C=Cc2cc([N+](=O)[O-])ccc21	225752347	169251264	/nfs/dbraw/zinc/25/12/64/169251264.db2.gz	LAWSASHVPRBLJP-SECBINFHSA-N	1	0	176.175	1.621	40	5		ADBBRO
[NH3+][C@@H]1CCOc2ccc([N+](=O)[O-])cc21	16082989	169254813	/nfs/dbraw/zinc/25/48/13/169254813.db2.gz	KHHZLZWSGWGNDT-MRVPVSSYSA-N	1	0	194.190	1.377	40	5		ADBBRO
[NH3+][C@@H]1CCc2ccc([N+](=O)[O-])cc21	38142106	169256678	/nfs/dbraw/zinc/25/66/78/169256678.db2.gz	ROSHRXGQJBKFEG-SECBINFHSA-N	1	0	178.191	1.541	40	5		ADBBRO
[NH3+][C@H]1C=Cc2cc([N+](=O)[O-])ccc21	225752363	169271000	/nfs/dbraw/zinc/27/10/00/169271000.db2.gz	LAWSASHVPRBLJP-VIFPVBQESA-N	1	0	176.175	1.621	40	5		ADBBRO
[NH3+][C@H]1CCc2ccc([N+](=O)[O-])cc21	2515981	169275982	/nfs/dbraw/zinc/27/59/82/169275982.db2.gz	ROSHRXGQJBKFEG-VIFPVBQESA-N	1	0	178.191	1.541	40	5		ADBBRO
[NH3+][C@H]1CCOc2ccc([N+](=O)[O-])cc21	16082990	169276311	/nfs/dbraw/zinc/27/63/11/169276311.db2.gz	KHHZLZWSGWGNDT-QMMMGPOBSA-N	1	0	194.190	1.377	40	5		ADBBRO
C[N+]12CCCC[C@@H]1CC(=O)CC2	1662131	170999390	/nfs/dbraw/zinc/99/93/90/170999390.db2.gz	KTVGIGCCRRKRJG-BFHBGLAWSA-N	1	0	168.260	1.348	40	5		ADBBRO
Cc1ccccc1C[N+](C)(C)CCO	1686781	171000261	/nfs/dbraw/zinc/00/02/61/171000261.db2.gz	KWHZLTCQSIFNKC-UHFFFAOYSA-N	1	0	194.298	1.564	40	5		ADBBRO
C[N+](C)(C)[C@H]1CC2CC1C2	1709997	171001473	/nfs/dbraw/zinc/00/14/73/171001473.db2.gz	YLHTXZRFOGMSQD-HACHORDNSA-N	1	0	140.250	1.491	40	5		ADBBRO
C/C=C/C(=O)OCCC[N+](C)(C)C	1731339	171002019	/nfs/dbraw/zinc/00/20/19/171002019.db2.gz	WRHIWERDIANFLG-FNORWQNLSA-N	1	0	186.275	1.202	40	5		ADBBRO
CC[n+]1cc([N+](=O)[O-])ccc1Cl	1735190	171002310	/nfs/dbraw/zinc/00/23/10/171002310.db2.gz	DQNRWDCJDURTQW-UHFFFAOYSA-N	1	0	187.606	1.556	40	5		ADBBRO
C[N+](C)(C)[C@@H]1CCCCCC(=O)NC1	1722026	171002386	/nfs/dbraw/zinc/00/23/86/171002386.db2.gz	XDCSEKZPYRARIN-SNVBAGLBSA-O	1	0	199.318	1.142	40	5		ADBBRO
C[N+]12CCCC[C@@H]1CC2	1763667	171002803	/nfs/dbraw/zinc/00/28/03/171002803.db2.gz	UGNSEKDCGJJTHK-VEDVMXKPSA-N	1	0	126.223	1.389	40	5		ADBBRO
C[N+]12CCCC[C@H]1CC2	1763666	171002904	/nfs/dbraw/zinc/00/29/04/171002904.db2.gz	UGNSEKDCGJJTHK-IENPIDJESA-N	1	0	126.223	1.389	40	5		ADBBRO
C[N+]1([C@H]2C=CCCC2)CCOCC1	2022266	171003573	/nfs/dbraw/zinc/00/35/73/171003573.db2.gz	UQBYWVOQCQUUCQ-NSHDSACASA-N	1	0	182.287	1.572	40	5		ADBBRO
C[N+](C)(C)c1cccc(O)c1	2036099	171004281	/nfs/dbraw/zinc/00/42/81/171004281.db2.gz	CSKWZSUBRGLJBC-UHFFFAOYSA-O	1	0	152.217	1.589	40	5	in-vivo	ADBBRO
C[N+]1(C)CCC[C@@H]1c1cccnc1	4365454	171012881	/nfs/dbraw/zinc/01/28/81/171012881.db2.gz	WYBBYUGHCIQZBV-LLVKDONJSA-N	1	0	177.271	1.993	40	5	in-vitro	ADBBRO
C[N+](C)(C)[C@@H]1CC2CC1C2	5031400	171014405	/nfs/dbraw/zinc/01/44/05/171014405.db2.gz	YLHTXZRFOGMSQD-AMDVSUOASA-N	1	0	140.250	1.491	40	5		ADBBRO
C[N+](C)(C)[C@H]1CCCCCC(=O)NC1	4973187	171014536	/nfs/dbraw/zinc/01/45/36/171014536.db2.gz	XDCSEKZPYRARIN-JTQLQIEISA-O	1	0	199.318	1.142	40	5		ADBBRO
C[N+]1([C@@H]2C=CCCC2)CCOCC1	4901023	171014994	/nfs/dbraw/zinc/01/49/94/171014994.db2.gz	UQBYWVOQCQUUCQ-LLVKDONJSA-N	1	0	182.287	1.572	40	5		ADBBRO
C[N+]1(C)C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	5664740	171017552	/nfs/dbraw/zinc/01/75/52/171017552.db2.gz	QDAIJGUPJLWODC-DTIDVZRVSA-N	1	0	164.272	1.515	40	5		ADBBRO
C[N+](C)(C)c1ccc2c(c1)C(=O)OC2	5535235	171017701	/nfs/dbraw/zinc/01/77/01/171017701.db2.gz	CWKMZFIQAMWJFM-UHFFFAOYSA-N	1	0	192.238	1.554	40	5		ADBBRO
C[N+]1(C)[C@H]2C=CC[C@@H]1CSC2	6519801	171020718	/nfs/dbraw/zinc/02/07/18/171020718.db2.gz	VDNACTADLBXLRJ-DTWKUNHWSA-N	1	0	170.301	1.507	40	5		ADBBRO
C[N+]1(C)[C@H]2CC=C[C@@H]1CSC2	6519805	171020785	/nfs/dbraw/zinc/02/07/85/171020785.db2.gz	VDNACTADLBXLRJ-BDAKNGLRSA-N	1	0	170.301	1.507	40	5		ADBBRO
C[N+]1(C[C@H]2CO2)CCCCCC1	6519749	171020824	/nfs/dbraw/zinc/02/08/24/171020824.db2.gz	XHBGVYJXKGFPGI-JTQLQIEISA-N	1	0	170.276	1.406	40	5		ADBBRO
[NH3+]CC1(c2ccc([N+](=O)[O-])cc2)CC1	11848919	171023520	/nfs/dbraw/zinc/02/35/20/171023520.db2.gz	MKZDCGZJAOPNMT-UHFFFAOYSA-N	1	0	192.218	1.585	40	5		ADBBRO
C[N+]1(C)CCC[C@H]1c1cccnc1	13208808	171026259	/nfs/dbraw/zinc/02/62/59/171026259.db2.gz	WYBBYUGHCIQZBV-NSHDSACASA-N	1	0	177.271	1.993	40	5	in-vitro	ADBBRO
C[N+]1(C)[C@H]2CCCC[C@@H]1CC(=O)C2	16920755	171031335	/nfs/dbraw/zinc/03/13/35/171031335.db2.gz	RBFAWNFOHJNQAU-AOOOYVTPSA-N	1	0	182.287	1.737	40	5		ADBBRO
C[N+]1(C)C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	17143109	171031382	/nfs/dbraw/zinc/03/13/82/171031382.db2.gz	QDAIJGUPJLWODC-VLEAKVRGSA-N	1	0	164.272	1.515	40	5		ADBBRO
C[N+]1(C)[C@H]2CCC[C@@H]1CC(=O)C2	16920739	171031388	/nfs/dbraw/zinc/03/13/88/171031388.db2.gz	RGFUETZMUUCBNW-DTORHVGOSA-N	1	0	168.260	1.347	40	5		ADBBRO
O=[N+]([O-])c1ccc2c(c1)C=[NH+]CCN2	73642169	171066250	/nfs/dbraw/zinc/06/62/50/171066250.db2.gz	SIPJCFZBLGVTPY-UHFFFAOYSA-N	1	0	191.190	1.439	40	5		ADBBRO
C[N+]1(C)C[C@H]2C=CC[C@H](C=C2)C1	71785366	171108382	/nfs/dbraw/zinc/10/83/82/171108382.db2.gz	MRJMAEQYEWVOSZ-WDEREUQCSA-N	1	0	164.272	1.825	40	5		ADBBRO
C[N+]1(C)[C@H]2CCC[C@@H]1COC2	71785292	171108393	/nfs/dbraw/zinc/10/83/93/171108393.db2.gz	UKVHFKFPBJSOAG-DTORHVGOSA-N	1	0	156.249	1.014	40	5		ADBBRO
C[N+]1(C)[C@@H]2C=CC[C@H]1CCC2	71785300	171108569	/nfs/dbraw/zinc/10/85/69/171108569.db2.gz	KIQMLTDIDXGCMG-ZJUUUORDSA-N	1	0	152.261	1.944	40	5		ADBBRO
C[N+]1(C)[C@@H]2CC=C[C@H]1CCC2	71785299	171108690	/nfs/dbraw/zinc/10/86/90/171108690.db2.gz	KIQMLTDIDXGCMG-VHSXEESVSA-N	1	0	152.261	1.944	40	5		ADBBRO
C[N+]1(C)C[C@@H]2C=C[C@@H](C=CC2)C1	71785365	171108758	/nfs/dbraw/zinc/10/87/58/171108758.db2.gz	MRJMAEQYEWVOSZ-MNOVXSKESA-N	1	0	164.272	1.825	40	5		ADBBRO
[NH3+]C1(c2ccc([N+](=O)[O-])cc2)CC1	89263268	171133591	/nfs/dbraw/zinc/13/35/91/171133591.db2.gz	ANEAGGRPSXZMAY-UHFFFAOYSA-N	1	0	178.191	1.543	40	5		ADBBRO
[NH3+]C1(c2ccccc2[N+](=O)[O-])CC1	91355955	171134481	/nfs/dbraw/zinc/13/44/81/171134481.db2.gz	ZCYDXTRIRKXKFB-UHFFFAOYSA-N	1	0	178.191	1.543	40	5		ADBBRO
O=[N+]([O-])c1ccc2c(c1)CC[NH2+]CC2	95080418	171136074	/nfs/dbraw/zinc/13/60/74/171136074.db2.gz	TXJXCXSFIVCGDS-UHFFFAOYSA-N	1	0	192.218	1.283	40	5		ADBBRO
[NH3+]C1(c2ccc([N+](=O)[O-])cc2)CCC1	95097993	171136247	/nfs/dbraw/zinc/13/62/47/171136247.db2.gz	ZJRQRRUUGNADQN-UHFFFAOYSA-N	1	0	192.218	1.933	40	5		ADBBRO
[NH3+]CC1(c2ccccc2[N+](=O)[O-])CC1	95642088	171136785	/nfs/dbraw/zinc/13/67/85/171136785.db2.gz	YBIYOHNRGZELNN-UHFFFAOYSA-N	1	0	192.218	1.585	40	5		ADBBRO
[NH3+]C1(c2ccccc2[N+](=O)[O-])CCC1	95763499	171139176	/nfs/dbraw/zinc/13/91/76/171139176.db2.gz	KFONHEHUWOIMFC-UHFFFAOYSA-N	1	0	192.218	1.933	40	5		ADBBRO
[NH3+]C12C[C@@H]3C[C@H](C1)CC([N+](=O)[O-])(C3)C2	96194514	171141095	/nfs/dbraw/zinc/14/10/95/171141095.db2.gz	IGRDMGWZTHMMAM-BQKDNTBBSA-N	1	0	196.250	1.313	40	5		ADBBRO
C[N+]1(C)[C@H]2CCC[C@@H]1C[C@@H](O)C2	100745254	171145317	/nfs/dbraw/zinc/14/53/17/171145317.db2.gz	XSKUZMPOQPKJJL-ILWJIGKKSA-N	1	0	170.276	1.139	40	5		ADBBRO
C[N+]1(C)[C@H]2CCC[C@@H]1C[C@H](O)C2	100745253	171145453	/nfs/dbraw/zinc/14/54/53/171145453.db2.gz	XSKUZMPOQPKJJL-MYJAWHEDSA-N	1	0	170.276	1.139	40	5		ADBBRO
C[N+]12CCCC[C@@H]1[C@H](CO)CCC2	174830	171159128	/nfs/dbraw/zinc/15/91/28/171159128.db2.gz	YAUVTYWHVQNESX-WIKAKEFZSA-N	1	0	184.303	1.388	40	5		ADBBRO
C[N+]12CCCC[C@@H]1[C@H](CCO)CCC2	4026909	171161682	/nfs/dbraw/zinc/16/16/82/171161682.db2.gz	GCMCDBVXBVNWAL-LAGVYOHYSA-N	1	0	198.330	1.778	40	5		ADBBRO
Cc1cc(C(N)=[NH2+])ccc1[N+](=O)[O-]	150011232	344075590	/nfs/dbraw/zinc/07/55/90/344075590.db2.gz	MTADUHKBRLZZAV-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
C[N@@H+]1CCc2cc([N+](=O)[O-])ccc2C1	218744248	344415724	/nfs/dbraw/zinc/41/57/24/344415724.db2.gz	LXNOPQKFWGOYFU-UHFFFAOYSA-N	1	0	192.218	1.583	40	5		ADBBRO
CC(C)[C@@H]1OCC[N+]1(C)C	114254	342926824	/nfs/dbraw/zinc/92/68/24/342926824.db2.gz	OBZAJIPZVGVKSI-QMMMGPOBSA-N	1	0	144.238	1.075	40	5		ADBBRO
CC1(C)OCO/C1=C\C[N+](C)(C)C	123406	342927248	/nfs/dbraw/zinc/92/72/48/342927248.db2.gz	JMNCBOFOJQYSBA-TWGQIWQCSA-N	1	0	186.275	1.359	40	5		ADBBRO
Cc1ccoc1CC[N+](C)(C)C	123401	342927335	/nfs/dbraw/zinc/92/73/35/342927335.db2.gz	BIZNDKRXUQQSCH-UHFFFAOYSA-N	1	0	168.260	1.837	40	5		ADBBRO
CC[N+](C)(CC)C/C=C1/COCO1	123393	342927340	/nfs/dbraw/zinc/92/73/40/342927340.db2.gz	ITCMOJQNSVORFJ-POHAHGRESA-N	1	0	186.275	1.361	40	5		ADBBRO
C[N+]1(C/C=C2/COCO2)CCCCC1	123398	342927433	/nfs/dbraw/zinc/92/74/33/342927433.db2.gz	LPHROUXYPKOWDO-WZUFQYTHSA-N	1	0	198.286	1.505	40	5		ADBBRO
Cc1coc(CC[N+](C)(C)C)c1	123403	342927503	/nfs/dbraw/zinc/92/75/03/342927503.db2.gz	CIVCSIYAWJDZBA-UHFFFAOYSA-N	1	0	168.260	1.837	40	5		ADBBRO
Cc1ccc([N+](=O)[O-])c(C)[n+]1C	321153	342933158	/nfs/dbraw/zinc/93/31/58/342933158.db2.gz	ZBWQUSGEWUDXGE-UHFFFAOYSA-N	1	0	167.188	1.036	40	5		ADBBRO
C[N+]1(c2ccccc2)CCC(N)=N1	438271	342939686	/nfs/dbraw/zinc/93/96/86/342939686.db2.gz	CQFCMCLJTPNDPB-UHFFFAOYSA-N	1	0	176.243	1.300	40	5		ADBBRO
C[N+]1(C)[C@H]2CCC[C@@H]1CC(O)C2	526840	342940671	/nfs/dbraw/zinc/94/06/71/342940671.db2.gz	XSKUZMPOQPKJJL-ULKQDVFKSA-N	1	0	170.276	1.139	40	5		ADBBRO
CC[N+](C)(C)Cc1ccco1	910029	342942290	/nfs/dbraw/zinc/94/22/90/342942290.db2.gz	YPIGPFJCANGQRW-UHFFFAOYSA-N	1	0	154.233	1.876	40	5		ADBBRO
[O-][n+]1cc[n+]2cc3ccccc3cc2c1	1564550	342947927	/nfs/dbraw/zinc/94/79/27/342947927.db2.gz	DPBXCUYYAMYNKX-UHFFFAOYSA-N	1	0	197.217	1.212	40	5		ADBBRO
CC[N+]1(C)CSC(=S)N(C)C1	1571322	342948141	/nfs/dbraw/zinc/94/81/41/342948141.db2.gz	SWSFTIMKHSBNKH-UHFFFAOYSA-N	1	0	191.345	1.331	40	5		ADBBRO
C[N+](C)(C)CCc1ccccc1	1577050	342948577	/nfs/dbraw/zinc/94/85/77/342948577.db2.gz	XYUGFPLAOGMREF-UHFFFAOYSA-N	1	0	164.272	1.935	40	5		ADBBRO
CC1=C[C@H](C)C[N+](C)(C)C1	1585368	342949152	/nfs/dbraw/zinc/94/91/52/342949152.db2.gz	UEJYLMBKLVNZCD-QMMMGPOBSA-N	1	0	140.250	1.659	40	5		ADBBRO
C[N+](C)(C)C1CCC1	1596843	342950271	/nfs/dbraw/zinc/95/02/71/342950271.db2.gz	SYRABFCYSXFMJN-UHFFFAOYSA-N	1	0	114.212	1.245	40	5		ADBBRO
CC(C)[C@H]1[C@H](C)[N+]1(C)C	1598109	342950716	/nfs/dbraw/zinc/95/07/16/342950716.db2.gz	HASBJARFENCQHV-YUMQZZPRSA-N	1	0	128.239	1.490	40	5		ADBBRO
C[N+]1(C)C[C@@H]2CC[C@H]1C2	1609648	342951829	/nfs/dbraw/zinc/95/18/29/342951829.db2.gz	OZGHXFORYKCXPS-SFYZADRCSA-N	1	0	126.223	1.245	40	5		ADBBRO
C[N+]1(C)C[C@H]2CC[C@@H]1C2	1609647	342951985	/nfs/dbraw/zinc/95/19/85/342951985.db2.gz	OZGHXFORYKCXPS-JGVFFNPUSA-N	1	0	126.223	1.245	40	5		ADBBRO
C[N+](C)(C)C[C@@H]1CCCC1=O	1616604	342952190	/nfs/dbraw/zinc/95/21/90/342952190.db2.gz	UAOIKCQQNVPMSU-QMMMGPOBSA-N	1	0	156.249	1.062	40	5		ADBBRO
C[N+](C)(C)C[C@H]1CCCC[C@H]1O	1625675	342952548	/nfs/dbraw/zinc/95/25/48/342952548.db2.gz	NPIOUBAMSUUZKG-NXEZZACHSA-N	1	0	172.292	1.244	40	5		ADBBRO
C[N+](C)(C)C[C@@H]1CCCC[C@@H]1O	1625678	342952716	/nfs/dbraw/zinc/95/27/16/342952716.db2.gz	NPIOUBAMSUUZKG-UWVGGRQHSA-N	1	0	172.292	1.244	40	5		ADBBRO
C[N+](C)(C)C[C@@H]1CCCC[C@H]1O	1625676	342952767	/nfs/dbraw/zinc/95/27/67/342952767.db2.gz	NPIOUBAMSUUZKG-VHSXEESVSA-N	1	0	172.292	1.244	40	5		ADBBRO
C[N+](C)(C)C[C@H]1CCCC[C@@H]1O	1625677	342952788	/nfs/dbraw/zinc/95/27/88/342952788.db2.gz	NPIOUBAMSUUZKG-ZJUUUORDSA-N	1	0	172.292	1.244	40	5		ADBBRO
Cc1ccc(C[N+](C)(C)[NH3+])cc1C	1637925	342953383	/nfs/dbraw/zinc/95/33/83/342953383.db2.gz	UGUHFGUACBFNEX-UHFFFAOYSA-N	1	0	179.287	1.754	40	5		ADBBRO
C[N+]12CCCC[C@H]1CC(=O)CC2	1662130	342954875	/nfs/dbraw/zinc/95/48/75/342954875.db2.gz	KTVGIGCCRRKRJG-FTNKSUMCSA-N	1	0	168.260	1.348	40	5		ADBBRO
C[C@H]([C@@H](O)C(F)(F)F)[N+](C)(C)C	1666952	342955557	/nfs/dbraw/zinc/95/55/57/342955557.db2.gz	MIGIGGFRQPINAZ-PHDIDXHHSA-N	1	0	186.197	1.004	40	5		ADBBRO
COc1ccccc1C[N+](C)(C)C	1668962	342955918	/nfs/dbraw/zinc/95/59/18/342955918.db2.gz	KXCNJGQGYNMFGR-UHFFFAOYSA-N	1	0	180.271	1.901	40	5		ADBBRO
C[C@H]1CCC[C@H](C[N+](C)(C)C)C1=O	1702323	342960539	/nfs/dbraw/zinc/96/05/39/342960539.db2.gz	BWDQBMMFNOGSNU-VHSXEESVSA-N	1	0	184.303	1.698	40	5		ADBBRO
C[N+](C)(C)CC1(O)CCCCC1	1705348	342960599	/nfs/dbraw/zinc/96/05/99/342960599.db2.gz	PYIPWZXQVKSUGI-UHFFFAOYSA-N	1	0	172.292	1.388	40	5		ADBBRO
C[C@H]1CCC[C@@H](C[N+](C)(C)C)C1=O	1702321	342960692	/nfs/dbraw/zinc/96/06/92/342960692.db2.gz	BWDQBMMFNOGSNU-UWVGGRQHSA-N	1	0	184.303	1.698	40	5		ADBBRO
CC1(C)OC[C@](C)(C[N+](C)(C)C)O1	1702141	342960719	/nfs/dbraw/zinc/96/07/19/342960719.db2.gz	WHNJVMVJMOWJCG-JTQLQIEISA-N	1	0	188.291	1.234	40	5		ADBBRO
CC[N+](C)(C)C(C)(C)C	1709065	342960845	/nfs/dbraw/zinc/96/08/45/342960845.db2.gz	XMPRLBUMOCTEHU-UHFFFAOYSA-N	1	0	130.255	1.881	40	5		ADBBRO
CN1Cc2ccc([N+](=O)[O-])cc2C1	1714052	342961286	/nfs/dbraw/zinc/96/12/86/342961286.db2.gz	KBRUQEDLLNRMKU-UHFFFAOYSA-N	1	0	178.191	1.540	40	5		ADBBRO
C[NH+](C)Cc1ccccc1[N+](=O)[O-]	1716744	342961583	/nfs/dbraw/zinc/96/15/83/342961583.db2.gz	FCAMUPIRWKNASD-UHFFFAOYSA-N	1	0	180.207	1.656	40	5		ADBBRO
C[N+](C)(C)Cn1nnc2ccccc21	1717604	342962134	/nfs/dbraw/zinc/96/21/34/342962134.db2.gz	OBCOAQPWECUURX-UHFFFAOYSA-N	1	0	191.258	1.095	40	5		ADBBRO
CC[N+](C)(CC)CCOC(C)=O	1736024	342963331	/nfs/dbraw/zinc/96/33/31/342963331.db2.gz	RXNRTQDDFAZYGG-UHFFFAOYSA-N	1	0	174.264	1.036	40	5		ADBBRO
CC[C@]1([N+](C)(C)C)CS[C@H]1C	1873899	342965467	/nfs/dbraw/zinc/96/54/67/342965467.db2.gz	AZXXNFMMRVLOIM-IUCAKERBSA-N	1	0	174.333	1.977	40	5		ADBBRO
CC[C@@]1([N+](C)(C)C)CS[C@@H]1C	1873900	342965574	/nfs/dbraw/zinc/96/55/74/342965574.db2.gz	AZXXNFMMRVLOIM-RKDXNWHRSA-N	1	0	174.333	1.977	40	5		ADBBRO
CC[C@]1([N+](C)(C)C)CS[C@@H]1C	1873901	342965586	/nfs/dbraw/zinc/96/55/86/342965586.db2.gz	AZXXNFMMRVLOIM-BDAKNGLRSA-N	1	0	174.333	1.977	40	5		ADBBRO
CC1=C(C)C[N+](C)(C)CC1	2145275	342970132	/nfs/dbraw/zinc/97/01/32/342970132.db2.gz	CYHQHINNPVLYPH-UHFFFAOYSA-N	1	0	140.250	1.803	40	5		ADBBRO
CC[N+]12CCCC[C@@H]1[C@H](CO)CCC2	4082602	342987206	/nfs/dbraw/zinc/98/72/06/342987206.db2.gz	LRRPUHCKSUVOBQ-LAGVYOHYSA-N	1	0	198.330	1.778	40	5		ADBBRO
C[N+](C)(C)C[C@@H]1CCCCO1	4428958	342992043	/nfs/dbraw/zinc/99/20/43/342992043.db2.gz	IWQSDKSOKLWPLZ-VIFPVBQESA-N	1	0	158.265	1.262	40	5		ADBBRO
C[N+](C)(C)C[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1CO	4722723	342994340	/nfs/dbraw/zinc/99/43/40/342994340.db2.gz	AAJFWWCDOLJDSY-RHYQMDGZSA-N	1	0	196.314	1.123	40	5		ADBBRO
CCCCC[N+]1(C)CCOCC1	4775331	342995422	/nfs/dbraw/zinc/99/54/22/342995422.db2.gz	FJKLSDAUKCRBJQ-UHFFFAOYSA-N	1	0	172.292	1.653	40	5		ADBBRO
CC(C)[C@@H]1[C@H](C)[N+]1(C)C	4921292	342996858	/nfs/dbraw/zinc/99/68/58/342996858.db2.gz	HASBJARFENCQHV-JGVFFNPUSA-N	1	0	128.239	1.490	40	5		ADBBRO
CC(C)[C@@H]1[C@@H](C)[N+]1(C)C	4921295	342997029	/nfs/dbraw/zinc/99/70/29/342997029.db2.gz	HASBJARFENCQHV-HTQZYQBOSA-N	1	0	128.239	1.490	40	5		ADBBRO
C[C@H]1CC[N+]2(C)CCC[C@H]12	5208244	342999936	/nfs/dbraw/zinc/99/99/36/342999936.db2.gz	DRQKXTLUVYCBBY-QIIDTADFSA-N	1	0	140.250	1.635	40	5		ADBBRO
C[N+](C)(C)/C=C\c1ccc([N+](=O)[O-])o1	5432868	343002681	/nfs/dbraw/zinc/00/26/81/343002681.db2.gz	HBRSUZGVNXCYMU-SREVYHEPSA-N	1	0	197.214	1.865	40	5		ADBBRO
CC1=C[C@@H](C)C[N+](C)(C)C1	5521601	343004232	/nfs/dbraw/zinc/00/42/32/343004232.db2.gz	UEJYLMBKLVNZCD-MRVPVSSYSA-N	1	0	140.250	1.659	40	5		ADBBRO
C[N+](C)(C)C[C@H]1CCCC1=O	5811018	343008620	/nfs/dbraw/zinc/00/86/20/343008620.db2.gz	UAOIKCQQNVPMSU-MRVPVSSYSA-N	1	0	156.249	1.062	40	5		ADBBRO
C[N+](C)(C)C[C@H]1CCCCO1	6519611	343015193	/nfs/dbraw/zinc/01/51/93/343015193.db2.gz	IWQSDKSOKLWPLZ-SECBINFHSA-N	1	0	158.265	1.262	40	5		ADBBRO
CC[N+]1(C)[C@H]2CC[C@@H]1CC(O)C2	17003589	343045649	/nfs/dbraw/zinc/04/56/49/343045649.db2.gz	XKYGQOAXSNEKOD-IXBNRNDTSA-N	1	0	170.276	1.139	40	5		ADBBRO
CCCCC[N+](C)(C)CCO	27108555	343091120	/nfs/dbraw/zinc/09/11/20/343091120.db2.gz	IQVTZNFPUKNMIH-UHFFFAOYSA-N	1	0	160.281	1.245	40	5		ADBBRO
Cc1ccc(C[NH3+])c([N+](=O)[O-])c1	37594082	343172473	/nfs/dbraw/zinc/17/24/73/343172473.db2.gz	DKBLEPIIRAPCSW-UHFFFAOYSA-N	1	0	166.180	1.362	40	5		ADBBRO
Cc1ccc(C(N)=[NH2+])cc1[N+](=O)[O-]	38583441	343189639	/nfs/dbraw/zinc/18/96/39/343189639.db2.gz	XVYCKSVUARSPGL-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
Cc1ccc([N+](=O)[O-])c(C[NH3+])c1	39133542	343203232	/nfs/dbraw/zinc/20/32/32/343203232.db2.gz	RJYGJNVRQVWPSO-UHFFFAOYSA-N	1	0	166.180	1.362	40	5		ADBBRO
Cc1cc([N+](=O)[O-])ccc1C[NH3+]	44250202	343262870	/nfs/dbraw/zinc/26/28/70/343262870.db2.gz	YGUGMLMGNIEYGZ-UHFFFAOYSA-N	1	0	166.180	1.362	40	5		ADBBRO
Cc1cc([N+](=O)[O-])ccc1OCC[NH3+]	51870082	343294420	/nfs/dbraw/zinc/29/44/20/343294420.db2.gz	FMGUDUIGEJQZLX-UHFFFAOYSA-N	1	0	196.206	1.241	40	5		ADBBRO
Cc1cccc([N+](=O)[O-])c1C(N)=[NH2+]	199556220	344361235	/nfs/dbraw/zinc/36/12/35/344361235.db2.gz	PMOLXYHZNYAIKG-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
Cc1ccc([N+](=O)[O-])c(C(N)=[NH2+])c1	199563704	344361251	/nfs/dbraw/zinc/36/12/51/344361251.db2.gz	VTVWSLGUNWQVST-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
Cc1c(NC[NH3+])cccc1[N+](=O)[O-]	199570828	344361287	/nfs/dbraw/zinc/36/12/87/344361287.db2.gz	ITJHUTSAELKURW-UHFFFAOYSA-N	1	0	181.195	1.231	40	5		ADBBRO
Cc1ccc(C(N)=[NH2+])c([N+](=O)[O-])c1	199563203	344361300	/nfs/dbraw/zinc/36/13/00/344361300.db2.gz	DHBXOONHOWYXPW-UHFFFAOYSA-N	1	0	179.179	1.187	40	5		ADBBRO
Cc1cc(C(N)=[NH2+])c([N+](=O)[O-])cc1C	199559447	344361371	/nfs/dbraw/zinc/36/13/71/344361371.db2.gz	FPOQLFWIHFXDQH-UHFFFAOYSA-N	1	0	193.206	1.496	40	5		ADBBRO
CC(C)(Cl)C[N+](C)(C)C	162345	351272316	/nfs/dbraw/zinc/27/23/16/351272316.db2.gz	ZIDJDKXWZYNSBG-UHFFFAOYSA-N	1	0	150.673	1.710	40	5		ADBBRO
C[C@@H]([C@H](O)C(F)(F)F)[N+](C)(C)C	1666949	351292381	/nfs/dbraw/zinc/29/23/81/351292381.db2.gz	MIGIGGFRQPINAZ-WDSKDSINSA-N	1	0	186.197	1.004	40	5		ADBBRO
C[C@@H]1CCCCC[N+]1(C)CCO	1670746	351293089	/nfs/dbraw/zinc/29/30/89/351293089.db2.gz	IMPZAGNPKLMELA-NFJWQWPMSA-N	1	0	172.292	1.388	40	5		ADBBRO
C[C@@H]1CCC[C@H](C[N+](C)(C)C)C1=O	1702324	351295880	/nfs/dbraw/zinc/29/58/80/351295880.db2.gz	BWDQBMMFNOGSNU-NXEZZACHSA-N	1	0	184.303	1.698	40	5		ADBBRO
C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1=O	1702322	351296178	/nfs/dbraw/zinc/29/61/78/351296178.db2.gz	BWDQBMMFNOGSNU-ZJUUUORDSA-N	1	0	184.303	1.698	40	5		ADBBRO
CC(=O)OCC(C)(C)[N+](C)(C)C	1700056	351296257	/nfs/dbraw/zinc/29/62/57/351296257.db2.gz	INVWBXBGMSTTJI-UHFFFAOYSA-N	1	0	174.264	1.034	40	5		ADBBRO
C[C@@H]1CC[N+]2(C)CCC[C@H]12	5208243	351340724	/nfs/dbraw/zinc/34/07/24/351340724.db2.gz	DRQKXTLUVYCBBY-MGRQHWMJSA-N	1	0	140.250	1.635	40	5		ADBBRO
CC(C)CC(=O)OCC[N+](C)(C)C	2504791	351307403	/nfs/dbraw/zinc/30/74/03/351307403.db2.gz	XNNJJISNNWFDLB-UHFFFAOYSA-N	1	0	188.291	1.282	40	5		ADBBRO
C[C@@H]1CC[N+]2(CCCC2)C1	3847334	351321154	/nfs/dbraw/zinc/32/11/54/351321154.db2.gz	UCBBCEVTLADGLV-SECBINFHSA-N	1	0	140.250	1.637	40	5		ADBBRO
C[N+]1(C[C@@H]2CO2)CCCCCC1	5029957	351336702	/nfs/dbraw/zinc/33/67/02/351336702.db2.gz	XHBGVYJXKGFPGI-SNVBAGLBSA-N	1	0	170.276	1.406	40	5		ADBBRO
Cc1cc(C)c(C(N)=[NH2+])c([N+](=O)[O-])c1	199743123	351779839	/nfs/dbraw/zinc/77/98/39/351779839.db2.gz	XCEQWDPICAOGPG-UHFFFAOYSA-N	1	0	193.206	1.496	40	5		ADBBRO
CC(C)[N+]1(CCO)CCCCC1	408720362	352158930	/nfs/dbraw/zinc/15/89/30/352158930.db2.gz	LTKCYEQSQMLNIW-UHFFFAOYSA-N	1	0	172.292	1.388	40	5		ADBBRO
CCCC[N@+](C)(CCC)CCO	408720361	352159462	/nfs/dbraw/zinc/15/94/62/352159462.db2.gz	LSEZHMPOMXPJBU-NSHDSACASA-N	1	0	174.308	1.635	40	5		ADBBRO
CCCC[N@@+](C)(CCC)CCO	408720360	352159567	/nfs/dbraw/zinc/15/95/67/352159567.db2.gz	LSEZHMPOMXPJBU-LLVKDONJSA-N	1	0	174.308	1.635	40	5		ADBBRO
CCCC[N+]1(C)CCOCC1	22063709	717113133	/nfs/dbraw/zinc/11/31/33/717113133.db2.gz	ARTJOCVQILHYMW-UHFFFAOYSA-N	1	0	158.265	1.263	40	5		ADBBRO
CC(=O)SCCC[N+](C)(C)C	2570578	519760140	/nfs/dbraw/zinc/76/01/40/519760140.db2.gz	UBRNNANWHHWZPA-UHFFFAOYSA-N	1	0	176.305	1.362	40	5		ADBBRO
NC(=[NH2+])Cc1ccccc1[N+](=O)[O-]	228967046	526817653	/nfs/dbraw/zinc/81/76/53/526817653.db2.gz	WUZJJXAJRBAJGH-UHFFFAOYSA-N	1	0	179.179	1.073	40	5		ADBBRO