smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH3+])[C@H](C)c1cccc([N+](=O)[O-])c1	219439023	571987542	/nfs/dbraw/zinc/98/75/42/571987542.db2.gz	BZXBNSOPCOOWIB-JGVFFNPUSA-N	1	0	194.234	2.046	10	5		AEBERO
CCc1ccc([C@@H](C)[NH3+])c([N+](=O)[O-])c1	238290652	573146646	/nfs/dbraw/zinc/14/66/46/573146646.db2.gz	NFTVFXBPSWLVHR-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C	238332350	573284643	/nfs/dbraw/zinc/28/46/43/573284643.db2.gz	LTDHRPAYQHXVOC-MRVPVSSYSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1C	238334485	573288305	/nfs/dbraw/zinc/28/83/05/573288305.db2.gz	ZLSYRCIPSBMDNA-MRVPVSSYSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@H](C)c1ccc([N+](=O)[O-])c(F)c1	238334466	573288342	/nfs/dbraw/zinc/28/83/42/573288342.db2.gz	GDAJEEUELZMIFE-ZCFIWIBFSA-N	1	0	198.197	2.014	10	5		AEBERO
CCc1cc([C@H](C)[NH3+])cc([N+](=O)[O-])c1	238344824	573312210	/nfs/dbraw/zinc/31/22/10/573312210.db2.gz	NLUATLPXVPYYLF-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CC[C@H]([NH3+])c1ccc(F)c([N+](=O)[O-])c1	75416933	573567242	/nfs/dbraw/zinc/56/72/42/573567242.db2.gz	QAGQUIHXCDNVDE-QMMMGPOBSA-N	1	0	198.197	2.144	10	5		AEBERO
Cc1ccc(C(C)(C)[NH3+])c([N+](=O)[O-])c1	238445049	573575534	/nfs/dbraw/zinc/57/55/34/573575534.db2.gz	GCIWOBLDGZANOU-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
Cc1ccc([N+](=O)[O-])cc1C(C)(C)[NH3+]	238506017	573760468	/nfs/dbraw/zinc/76/04/68/573760468.db2.gz	XSMFDXBIRBPWBG-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
Cc1c([N+](=O)[O-])cccc1C(C)(C)[NH3+]	238511097	573774482	/nfs/dbraw/zinc/77/44/82/573774482.db2.gz	WUHDBPNMBDWTDI-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
C[N+](C)(C)[C@@H]1CCc2ccccc21	200459252	573871697	/nfs/dbraw/zinc/87/16/97/573871697.db2.gz	KWBHDJHBLQPAGD-GFCCVEGCSA-N	1	0	176.283	2.380	10	5		AEBERO
CCc1ccc([C@@H](C)[NH3+])cc1[N+](=O)[O-]	83138646	571745438	/nfs/dbraw/zinc/74/54/38/571745438.db2.gz	BPMCHTPQUPWNLD-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1ccc([C@H](C)[NH3+])cc1[N+](=O)[O-]	83138647	571746511	/nfs/dbraw/zinc/74/65/11/571746511.db2.gz	BPMCHTPQUPWNLD-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CC[N+](C)(C)c1cc(O)ccc1C	1844240	571785997	/nfs/dbraw/zinc/78/59/97/571785997.db2.gz	NSVDQSUXNQEONP-UHFFFAOYSA-O	1	0	180.271	2.287	10	5		AEBERO
CC[N+](C)(C)c1ccc(C)c(O)c1	1844238	571786384	/nfs/dbraw/zinc/78/63/84/571786384.db2.gz	WJDTTXUCSHWVLW-UHFFFAOYSA-O	1	0	180.271	2.287	10	5		AEBERO
CC[N+](C)(C)c1cc(C)cc(O)c1	1844241	571787793	/nfs/dbraw/zinc/78/77/93/571787793.db2.gz	VFSNEUMUHDOLHA-UHFFFAOYSA-O	1	0	180.271	2.287	10	5		AEBERO
C[NH2+]/C=C(/C)c1cccc([N+](=O)[O-])c1	687727944	571900310	/nfs/dbraw/zinc/90/03/10/571900310.db2.gz	VRXKECHVSVMNFL-FPLPWBNLSA-N	1	0	192.218	2.175	10	5		AEBERO
C[NH2+]/C=C(\C)c1cccc([N+](=O)[O-])c1	687727943	571901129	/nfs/dbraw/zinc/90/11/29/571901129.db2.gz	VRXKECHVSVMNFL-BQYQJAHWSA-N	1	0	192.218	2.175	10	5		AEBERO
C[NH2+]/C=C(\C)c1ccc([N+](=O)[O-])cc1	687728013	571902196	/nfs/dbraw/zinc/90/21/96/571902196.db2.gz	YDQUAQBVBMHVRB-BQYQJAHWSA-N	1	0	192.218	2.175	10	5		AEBERO
C[NH2+]/C=C(/C)c1ccc([N+](=O)[O-])cc1	687728014	571903360	/nfs/dbraw/zinc/90/33/60/571903360.db2.gz	YDQUAQBVBMHVRB-FPLPWBNLSA-N	1	0	192.218	2.175	10	5		AEBERO
[NH2+]=c1cccc2[nH]c3ccccc3nc1-2	113398245	571910365	/nfs/dbraw/zinc/91/03/65/571910365.db2.gz	DBIDMOONLWEWAA-UHFFFAOYSA-N	1	0	195.225	2.147	10	5		AEBERO
CC[C@@H]([NH3+])c1ccc([N+](=O)[O-])s1	83160294	571952029	/nfs/dbraw/zinc/95/20/29/571952029.db2.gz	GUILZAIQQSYTCW-RXMQYKEDSA-N	1	0	186.236	2.066	10	5		AEBERO
CC[C@]1(C)C/C(=C/[N+](=O)[O-])C=C(C)[NH2+]1	687759265	571960498	/nfs/dbraw/zinc/96/04/98/571960498.db2.gz	UJNIWCGLHCIVCL-TTZKWOQHSA-N	1	0	196.250	2.213	10	5		AEBERO
CC[C@]1(C)C/C(=C\[N+](=O)[O-])C=C(C)[NH2+]1	687759266	571959193	/nfs/dbraw/zinc/95/91/93/571959193.db2.gz	UJNIWCGLHCIVCL-UJICNMFASA-N	1	0	196.250	2.213	10	5		AEBERO
CC[C@@]1(C)C/C(=C/[N+](=O)[O-])C=C(C)[NH2+]1	687759263	571959420	/nfs/dbraw/zinc/95/94/20/571959420.db2.gz	UJNIWCGLHCIVCL-PCYYEKQGSA-N	1	0	196.250	2.213	10	5		AEBERO
CC[C@@]1(C)C/C(=C\[N+](=O)[O-])C=C(C)[NH2+]1	687759264	571960529	/nfs/dbraw/zinc/96/05/29/571960529.db2.gz	UJNIWCGLHCIVCL-RNKPRXRFSA-N	1	0	196.250	2.213	10	5		AEBERO
C[NH2+]C(C)(C)c1cccc([N+](=O)[O-])c1	219439364	571986661	/nfs/dbraw/zinc/98/66/61/571986661.db2.gz	GNRUUKYOQNLFQA-UHFFFAOYSA-N	1	0	194.234	2.049	10	5		AEBERO
C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-]	219439249	571988678	/nfs/dbraw/zinc/98/86/78/571988678.db2.gz	WPVZXJPUMVAKOK-UHFFFAOYSA-N	1	0	194.234	2.049	10	5		AEBERO
CC[C@H]([NH2+]C)c1cccc([N+](=O)[O-])c1	36721046	572063390	/nfs/dbraw/zinc/06/33/90/572063390.db2.gz	KIBIMHGHILNIFK-JTQLQIEISA-N	1	0	194.234	2.265	10	5		AEBERO
C[C@H]([NH3+])/C=C\c1ccc([N+](=O)[O-])s1	308105683	572726545	/nfs/dbraw/zinc/72/65/45/572726545.db2.gz	OYOJIEDVMQLTDP-GFNSNHMOSA-N	1	0	198.247	2.017	10	5		AEBERO
[NH3+]CC/C=C\c1ccc([N+](=O)[O-])s1	308100900	572728190	/nfs/dbraw/zinc/72/81/90/572728190.db2.gz	DLNBJADKNIPOGK-IWQZZHSRSA-N	1	0	198.247	2.018	10	5		AEBERO
[NH3+]CC/C=C/c1ccc([N+](=O)[O-])s1	236192473	572741216	/nfs/dbraw/zinc/74/12/16/572741216.db2.gz	DLNBJADKNIPOGK-HNQUOIGGSA-N	1	0	198.247	2.018	10	5		AEBERO
CCc1ccc([N+](=O)[O-])c([C@@H](C)[NH3+])c1	238278406	573101525	/nfs/dbraw/zinc/10/15/25/573101525.db2.gz	YEWTXWBOJNDUOQ-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1ccc([N+](=O)[O-])c([C@H](C)[NH3+])c1	238278424	573102954	/nfs/dbraw/zinc/10/29/54/573102954.db2.gz	YEWTXWBOJNDUOQ-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CC[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1F	238282918	573131078	/nfs/dbraw/zinc/13/10/78/573131078.db2.gz	YXNAIPKFKBTQIA-SSDOTTSWSA-N	1	0	198.197	2.144	10	5		AEBERO
C[C@H]([NH3+])/C=C/c1ccc([N+](=O)[O-])s1	235481907	573141357	/nfs/dbraw/zinc/14/13/57/573141357.db2.gz	OYOJIEDVMQLTDP-SZKDQXIBSA-N	1	0	198.247	2.017	10	5		AEBERO
CCc1ccc([C@H](C)[NH3+])c([N+](=O)[O-])c1	238292604	573152668	/nfs/dbraw/zinc/15/26/68/573152668.db2.gz	NFTVFXBPSWLVHR-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1c([C@@H](C)[NH3+])cccc1[N+](=O)[O-]	238306488	573175543	/nfs/dbraw/zinc/17/55/43/573175543.db2.gz	CBZYFIJTJURXGM-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1c([C@H](C)[NH3+])cccc1[N+](=O)[O-]	238306605	573180616	/nfs/dbraw/zinc/18/06/16/573180616.db2.gz	CBZYFIJTJURXGM-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1cccc([N+](=O)[O-])c1[C@@H](C)[NH3+]	238301306	573192514	/nfs/dbraw/zinc/19/25/14/573192514.db2.gz	BVMRNDMHUFAJAY-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
CC[C@H]([NH3+])c1cc(C)ccc1[N+](=O)[O-]	238311471	573203940	/nfs/dbraw/zinc/20/39/40/573203940.db2.gz	CFONRXKZMPUFFB-VIFPVBQESA-N	1	0	194.234	2.313	10	5		AEBERO
C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-]	238328285	573266750	/nfs/dbraw/zinc/26/67/50/573266750.db2.gz	XMPXVESQKNCGBA-ZCFIWIBFSA-N	1	0	198.197	2.014	10	5		AEBERO
C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1C	238330777	573275044	/nfs/dbraw/zinc/27/50/44/573275044.db2.gz	ZLSYRCIPSBMDNA-QMMMGPOBSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@@H](C)c1cccc(C)c1[N+](=O)[O-]	238332821	573280701	/nfs/dbraw/zinc/28/07/01/573280701.db2.gz	APEYWDOEEXTFFR-QMMMGPOBSA-N	1	0	194.234	2.184	10	5		AEBERO
CCc1cc([N+](=O)[O-])ccc1[C@H](C)[NH3+]	238332236	573282380	/nfs/dbraw/zinc/28/23/80/573282380.db2.gz	CUMJRYFQQKJFOB-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
CCc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH3+]	238332224	573282678	/nfs/dbraw/zinc/28/26/78/573282678.db2.gz	CUMJRYFQQKJFOB-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C	238333140	573283067	/nfs/dbraw/zinc/28/30/67/573283067.db2.gz	XXQRNYQYOAGXAZ-QMMMGPOBSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@H](C)c1ccc(F)cc1[N+](=O)[O-]	238334225	573287767	/nfs/dbraw/zinc/28/77/67/573287767.db2.gz	SHOJHZKGNGFEIC-ZCFIWIBFSA-N	1	0	198.197	2.014	10	5		AEBERO
CCc1cc([C@H](C)[NH3+])ccc1[N+](=O)[O-]	238344905	573310635	/nfs/dbraw/zinc/31/06/35/573310635.db2.gz	ABXVXINNFORSRL-ZETCQYMHSA-N	1	0	194.234	2.177	10	5		AEBERO
Cc1ccccc1C[N+](C)(C)C	37624981	343172569	/nfs/dbraw/zinc/17/25/69/343172569.db2.gz	OPJJDTKDXPFSJA-UHFFFAOYSA-N	1	0	164.272	2.201	10	5		AEBERO
CCCCC[N+]1(C)CCCC1	38879774	343191533	/nfs/dbraw/zinc/19/15/33/343191533.db2.gz	RRYKUXCBJXYIOD-UHFFFAOYSA-N	1	0	156.293	2.417	10	5		AEBERO
Cc1cccc([N+](=O)[O-])c1[N+]#N	39213759	343206523	/nfs/dbraw/zinc/20/65/23/343206523.db2.gz	KDGKTNCUALRTAI-UHFFFAOYSA-N	1	0	164.144	2.388	10	5		AEBERO
CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])o1	37184327	166366128	/nfs/dbraw/zinc/36/61/28/166366128.db2.gz	IUVNZVUJBHDVBB-UHFFFAOYSA-N	1	0	198.222	2.076	10	5		AEBERO
CCC[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1	20083509	167046513	/nfs/dbraw/zinc/04/65/13/167046513.db2.gz	KXYZNWSROYOFMS-SNVBAGLBSA-N	1	0	194.234	2.395	10	5		AEBERO
CCC[C@H]([NH3+])c1cccc([N+](=O)[O-])c1	20083511	167081980	/nfs/dbraw/zinc/08/19/80/167081980.db2.gz	KXYZNWSROYOFMS-JTQLQIEISA-N	1	0	194.234	2.395	10	5		AEBERO
CCC[N+](CC)(CC)CC	2515978	167097192	/nfs/dbraw/zinc/09/71/92/167097192.db2.gz	WGYXSYLSCVXFDU-UHFFFAOYSA-N	1	0	144.282	2.273	10	5		AEBERO
CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-]	20525882	167284202	/nfs/dbraw/zinc/28/42/02/167284202.db2.gz	WVKMHGZLSIPFQA-QMMMGPOBSA-N	1	0	194.234	2.265	10	5		AEBERO
CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-]	20525883	167298527	/nfs/dbraw/zinc/29/85/27/167298527.db2.gz	WVKMHGZLSIPFQA-MRVPVSSYSA-N	1	0	194.234	2.265	10	5		AEBERO
CC[C@@H]([NH3+])c1ccc(F)c([N+](=O)[O-])c1	75416934	167528350	/nfs/dbraw/zinc/52/83/50/167528350.db2.gz	QAGQUIHXCDNVDE-MRVPVSSYSA-N	1	0	198.197	2.144	10	5		AEBERO
CC[C@H]([NH3+])c1ccc(C)c([N+](=O)[O-])c1	75416948	167659132	/nfs/dbraw/zinc/65/91/32/167659132.db2.gz	AQGHMLCERVZNKI-VIFPVBQESA-N	1	0	194.234	2.313	10	5		AEBERO
C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	20083870	168035105	/nfs/dbraw/zinc/03/51/05/168035105.db2.gz	HBPYHESYLIFWHB-QMMMGPOBSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1	20083873	168052856	/nfs/dbraw/zinc/05/28/56/168052856.db2.gz	HBPYHESYLIFWHB-MRVPVSSYSA-N	1	0	194.234	2.184	10	5		AEBERO
COc1ccc([N+]#N)c([N+](=O)[O-])c1	5733091	168260885	/nfs/dbraw/zinc/26/08/85/168260885.db2.gz	JKIJZOTYFAEPKB-UHFFFAOYSA-N	1	0	180.143	2.088	10	5		AEBERO
Cc1ccc([N+]#N)cc1[N+](=O)[O-]	39411478	168844979	/nfs/dbraw/zinc/84/49/79/168844979.db2.gz	IYDRDPXBVNYZHP-UHFFFAOYSA-N	1	0	164.144	2.388	10	5		AEBERO
O=[N+]([O-])c1ccccc1[C@H]1CCC[NH2+]1	19270644	169413926	/nfs/dbraw/zinc/41/39/26/169413926.db2.gz	NJZJYHRRZNJSCM-SECBINFHSA-N	1	0	192.218	2.019	10	5		AEBERO
Cc1ccccc1OCC[N+](C)(C)C	2041310	171163965	/nfs/dbraw/zinc/16/39/65/171163965.db2.gz	YNRAFYWGLFODOK-UHFFFAOYSA-N	1	0	194.298	2.080	10	5		AEBERO
C[N+](C)(C)c1ccc2[nH]ccc2c1	2029781	171220691	/nfs/dbraw/zinc/22/06/91/171220691.db2.gz	IZJOSSRTUVQRCU-UHFFFAOYSA-N	1	0	175.255	2.365	10	5		AEBERO
Cc1cccc(C(C)(C)[NH3+])c1[N+](=O)[O-]	238502479	344809716	/nfs/dbraw/zinc/80/97/16/344809716.db2.gz	ZFRCIWJHDXTPOM-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
C[C@H]1Cc2ccccc2[N+]1(C)C	1564955	342947760	/nfs/dbraw/zinc/94/77/60/342947760.db2.gz	PLPPFDZUVYFKMI-VIFPVBQESA-N	1	0	162.256	2.198	10	5		AEBERO
CC[N+](C)(C(C)C)C(C)C	34455937	343119625	/nfs/dbraw/zinc/11/96/25/343119625.db2.gz	BCUPRSGLHYWGKH-UHFFFAOYSA-N	1	0	144.282	2.270	10	5		AEBERO
COc1cccc([N+](=O)[O-])c1[N+]#N	35052454	343127735	/nfs/dbraw/zinc/12/77/35/343127735.db2.gz	QQALAXBRQZDTCE-UHFFFAOYSA-N	1	0	180.143	2.088	10	5		AEBERO
N#[N+]c1ccc(F)cc1[N+](=O)[O-]	38585287	343189611	/nfs/dbraw/zinc/18/96/11/343189611.db2.gz	DJQSLINEQKOXGV-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
C[C@H]1CCC[C@@H](C)[N+]1(C)C	60194556	343351549	/nfs/dbraw/zinc/35/15/49/343351549.db2.gz	ZYOMXQGIWAKIBK-DTORHVGOSA-N	1	0	142.266	2.024	10	5		AEBERO
N#[N+]c1ccc([N+](=O)[O-])cc1F	132386479	343897286	/nfs/dbraw/zinc/89/72/86/343897286.db2.gz	PWQFEKXANORXAF-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
N#[N+]c1cc([N+](=O)[O-])ccc1F	132383243	343897444	/nfs/dbraw/zinc/89/74/44/343897444.db2.gz	BOUXNTHVUTVQPZ-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
N#[N+]c1cc([N+](=O)[O-])c(F)cc1F	132391376	343897754	/nfs/dbraw/zinc/89/77/54/343897754.db2.gz	ZCKNRXAAUAHPED-UHFFFAOYSA-N	1	0	186.097	2.358	10	5		AEBERO
N#[N+]c1ccc([N+](=O)[O-])c(F)c1	132396214	343897734	/nfs/dbraw/zinc/89/77/34/343897734.db2.gz	ZIZYIXXAYKIUMC-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
N#[N+]c1c(F)cc(F)cc1[N+](=O)[O-]	132394180	343897741	/nfs/dbraw/zinc/89/77/41/343897741.db2.gz	NPOLFEPGILPLIO-UHFFFAOYSA-N	1	0	186.097	2.358	10	5		AEBERO
N#[N+]c1c(F)cccc1[N+](=O)[O-]	132393971	343897916	/nfs/dbraw/zinc/89/79/16/343897916.db2.gz	FWOUMMWBYWXFQI-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
N#[N+]c1cc(F)ccc1[N+](=O)[O-]	132394863	343898017	/nfs/dbraw/zinc/89/80/17/343898017.db2.gz	BPURMCSCZLOEDK-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
Cc1ccc([N+](=O)[O-])c([N+]#N)c1	139106074	343993059	/nfs/dbraw/zinc/99/30/59/343993059.db2.gz	IPKBCZUPFDKEJL-UHFFFAOYSA-N	1	0	164.144	2.388	10	5		AEBERO
CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1	140199707	343999067	/nfs/dbraw/zinc/99/90/67/343999067.db2.gz	HSPCMIWALCEHET-UHFFFAOYSA-N	1	0	194.234	2.047	10	5		AEBERO
C[NH+](C)/C=C\c1ccc([N+](=O)[O-])cc1	169459671	344351041	/nfs/dbraw/zinc/35/10/41/344351041.db2.gz	LPBAERIJGIWGFR-FPLPWBNLSA-N	1	0	192.218	2.127	10	5		AEBERO
C[N+](C)(C)[C@H]1CCc2ccccc21	200288530	344363363	/nfs/dbraw/zinc/36/33/63/344363363.db2.gz	KWBHDJHBLQPAGD-LBPRGKRZSA-N	1	0	176.283	2.380	10	5		AEBERO
N#[N+]c1cc(F)cc([N+](=O)[O-])c1	229567306	344605581	/nfs/dbraw/zinc/60/55/81/344605581.db2.gz	BLKAHTYBAFMACG-UHFFFAOYSA-N	1	0	168.107	2.218	10	5		AEBERO
N#[N+]c1c([N+](=O)[O-])ccc(F)c1F	236174976	344776755	/nfs/dbraw/zinc/77/67/55/344776755.db2.gz	AVHJGTMMJUMQSN-UHFFFAOYSA-N	1	0	186.097	2.358	10	5		AEBERO
Cc1cc([N+](=O)[O-])ccc1C(C)(C)[NH3+]	238553568	344812397	/nfs/dbraw/zinc/81/23/97/344812397.db2.gz	QNQKODJJFWEBML-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
Cc1ccc([N+](=O)[O-])c(C(C)(C)[NH3+])c1	306243840	345136163	/nfs/dbraw/zinc/13/61/63/345136163.db2.gz	TWMCQJFZTJTTSB-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
Cc1cccc([N+](=O)[O-])c1C(C)(C)[NH3+]	306258262	345149274	/nfs/dbraw/zinc/14/92/74/345149274.db2.gz	ZTXFGQXBIWNTIF-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
CC(C)(C)[C@H]([NH3+])c1ccc([N+](=O)[O-])o1	306578924	345456305	/nfs/dbraw/zinc/45/63/05/345456305.db2.gz	MNDOSBFECQFKLG-MRVPVSSYSA-N	1	0	198.222	2.234	10	5		AEBERO
CC(C)(C)[C@@H]([NH3+])c1ccc([N+](=O)[O-])o1	306578926	345456637	/nfs/dbraw/zinc/45/66/37/345456637.db2.gz	MNDOSBFECQFKLG-QMMMGPOBSA-N	1	0	198.222	2.234	10	5		AEBERO
Cc1cc(C(C)(C)[NH3+])ccc1[N+](=O)[O-]	306610834	345485166	/nfs/dbraw/zinc/48/51/66/345485166.db2.gz	FMMAQLUQQNSTRG-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
O=[N+]([O-])c1csc([C@@H]2CCC[NH2+]2)c1	306858184	345661581	/nfs/dbraw/zinc/66/15/81/345661581.db2.gz	ZBTYCMMLBLOSJC-ZETCQYMHSA-N	1	0	198.247	2.081	10	5		AEBERO
O=[N+]([O-])c1csc([C@H]2CCC[NH2+]2)c1	306858183	345661655	/nfs/dbraw/zinc/66/16/55/345661655.db2.gz	ZBTYCMMLBLOSJC-SSDOTTSWSA-N	1	0	198.247	2.081	10	5		AEBERO
CCC[N+](C)(C)c1ccncc1	584644861	346740352	/nfs/dbraw/zinc/74/03/52/346740352.db2.gz	QGIUWFSAGDSWBG-UHFFFAOYSA-N	1	0	165.260	2.059	10	5		AEBERO
CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1	603582034	346956638	/nfs/dbraw/zinc/95/66/38/346956638.db2.gz	MCAVDRGOFAJJJR-UHFFFAOYSA-N	1	0	194.234	2.047	10	5		AEBERO
C[C@@H]1Cc2ccccc2[N+]1(C)C	5431749	351343230	/nfs/dbraw/zinc/34/32/30/351343230.db2.gz	PLPPFDZUVYFKMI-SECBINFHSA-N	1	0	162.256	2.198	10	5		AEBERO
CCC[N+](CCC)(CCC)CCO	1999826	717092300	/nfs/dbraw/zinc/09/23/00/717092300.db2.gz	ZWRMFEQRSUWLKC-UHFFFAOYSA-N	1	0	188.335	2.026	10	5		AEBERO
Cc1cccc(OCC[N+](C)(C)C)c1	2018044	717093562	/nfs/dbraw/zinc/09/35/62/717093562.db2.gz	RAQJIHSUMGANBJ-UHFFFAOYSA-N	1	0	194.298	2.080	10	5		AEBERO
CC(C)(C)[N+]1(C)CCCCC1	3135410	717095397	/nfs/dbraw/zinc/09/53/97/717095397.db2.gz	IZLKOHKCJXJRLV-UHFFFAOYSA-N	1	0	156.293	2.415	10	5		AEBERO
CC[N+](C)(C)CCCc1ccco1	3612662	717096397	/nfs/dbraw/zinc/09/63/97/717096397.db2.gz	SHSVZBGILNSRCE-UHFFFAOYSA-N	1	0	182.287	2.309	10	5		AEBERO
C[N+](C)(C)c1ccc(F)cc1	5377528	717099626	/nfs/dbraw/zinc/09/96/26/717099626.db2.gz	LBYRDHFGBSOKNL-UHFFFAOYSA-N	1	0	154.208	2.022	10	5		AEBERO
CCCCO[C@H](CC)C[N+](C)(C)C	5821536	717102651	/nfs/dbraw/zinc/10/26/51/717102651.db2.gz	HOCDEKJNXLIUPS-LLVKDONJSA-N	1	0	188.335	2.288	10	5		AEBERO
CCCCO[C@@H](CC)C[N+](C)(C)C	5821517	717102673	/nfs/dbraw/zinc/10/26/73/717102673.db2.gz	HOCDEKJNXLIUPS-NSHDSACASA-N	1	0	188.335	2.288	10	5		AEBERO
C/C=C\C[N+](CC)(CC)CC	33583705	717120976	/nfs/dbraw/zinc/12/09/76/717120976.db2.gz	ANCIIONCUZVYLG-UITAMQMPSA-N	1	0	156.293	2.439	10	5		AEBERO
CC[N+](C)(C)C1CCCC1	148895872	717153534	/nfs/dbraw/zinc/15/35/34/717153534.db2.gz	ZWHJVKWVMWWGEZ-UHFFFAOYSA-N	1	0	142.266	2.025	10	5		AEBERO
C[N+](C)(C)CCC(=O)c1cccs1	196449512	717158263	/nfs/dbraw/zinc/15/82/63/717158263.db2.gz	LECPMZMLETZCES-UHFFFAOYSA-N	1	0	198.311	2.027	10	5		AEBERO
CC[N@+]1(C)CCc2ccccc2C1	255984069	717173234	/nfs/dbraw/zinc/17/32/34/717173234.db2.gz	KTYUMBVKMXGUNR-CYBMUJFWSA-N	1	0	176.283	2.209	10	5		AEBERO
CC[N@@+]1(C)CCc2ccccc2C1	255984070	717173257	/nfs/dbraw/zinc/17/32/57/717173257.db2.gz	KTYUMBVKMXGUNR-ZDUSSCGKSA-N	1	0	176.283	2.209	10	5		AEBERO
C[NH2+][C@@H](C)c1ccc(C)cc1[N+](=O)[O-]	238329557	573274297	/nfs/dbraw/zinc/27/42/97/573274297.db2.gz	OYCKYKFTCOFBBN-QMMMGPOBSA-N	1	0	194.234	2.184	10	5		AEBERO
C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1F	238330798	573276374	/nfs/dbraw/zinc/27/63/74/573276374.db2.gz	VCVXPYUFTJDAKJ-LURJTMIESA-N	1	0	198.197	2.014	10	5		AEBERO
C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])c(F)c1	238330747	573276756	/nfs/dbraw/zinc/27/67/56/573276756.db2.gz	GDAJEEUELZMIFE-LURJTMIESA-N	1	0	198.197	2.014	10	5		AEBERO
C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C	238336529	573299303	/nfs/dbraw/zinc/29/93/03/573299303.db2.gz	XXQRNYQYOAGXAZ-MRVPVSSYSA-N	1	0	194.234	2.184	10	5		AEBERO
CCc1cc([C@@H](C)[NH3+])cc([N+](=O)[O-])c1	238343881	573325908	/nfs/dbraw/zinc/32/59/08/573325908.db2.gz	NLUATLPXVPYYLF-SSDOTTSWSA-N	1	0	194.234	2.177	10	5		AEBERO
C[C@@H]([NH3+])/C=C/c1ccc([N+](=O)[O-])s1	235158758	573424548	/nfs/dbraw/zinc/42/45/48/573424548.db2.gz	OYOJIEDVMQLTDP-YRFDSLTASA-N	1	0	198.247	2.017	10	5		AEBERO
Cc1ccc(C(C)(C)[NH3+])cc1[N+](=O)[O-]	238445241	573577320	/nfs/dbraw/zinc/57/73/20/573577320.db2.gz	ZREWDOCVGCWRPZ-UHFFFAOYSA-N	1	0	194.234	2.097	10	5		AEBERO
CC[N+](C)(CC)CCc1ccncc1	5140188	573795296	/nfs/dbraw/zinc/79/52/96/573795296.db2.gz	ZYEQCGAYLBEEPR-UHFFFAOYSA-N	1	0	193.314	2.111	10	5		AEBERO