smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000010136892	170398698	/nfs/dbraw/zinc/39/86/98/170398698.db2.gz	PDANVTLLXHIICZ-SFHVURJKSA-N	1	0	298.817	4.699	20	30		CJEDRO
CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000010136893	170398720	/nfs/dbraw/zinc/39/87/20/170398720.db2.gz	PDANVTLLXHIICZ-GOSISDBHSA-N	1	0	298.817	4.699	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H](CCC)c2ccccc2)cc1	ZINC000010436055	265180019	/nfs/dbraw/zinc/18/00/19/265180019.db2.gz	DGELDYVCRSDYLK-HXUWFJFHSA-N	1	0	295.426	4.882	20	30		CJEDRO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2ccccc2c1	ZINC000011038693	265229479	/nfs/dbraw/zinc/22/94/79/265229479.db2.gz	KHVIBPQMVNAWOF-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc2ccccc2c1	ZINC000011038698	265230706	/nfs/dbraw/zinc/23/07/06/265230706.db2.gz	KHVIBPQMVNAWOF-OAHLLOKOSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000020121919	171001747	/nfs/dbraw/zinc/00/17/47/171001747.db2.gz	OALZRGDRJXZMOO-QWHCGFSZSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000020121920	171001732	/nfs/dbraw/zinc/00/17/32/171001732.db2.gz	OALZRGDRJXZMOO-STQMWFEESA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1	ZINC000020121921	171002190	/nfs/dbraw/zinc/00/21/90/171002190.db2.gz	OALZRGDRJXZMOO-CHWSQXEVSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(C#N)cc1	ZINC000020121922	171002250	/nfs/dbraw/zinc/00/22/50/171002250.db2.gz	OALZRGDRJXZMOO-OLZOCXBDSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1	ZINC000020124028	171005935	/nfs/dbraw/zinc/00/59/35/171005935.db2.gz	ZUSZCFRFVJHCFK-OLZOCXBDSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(C#N)cc1	ZINC000020124029	171005338	/nfs/dbraw/zinc/00/53/38/171005338.db2.gz	ZUSZCFRFVJHCFK-STQMWFEESA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(C#N)cc1	ZINC000020124030	171005575	/nfs/dbraw/zinc/00/55/75/171005575.db2.gz	ZUSZCFRFVJHCFK-CHWSQXEVSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1Cl	ZINC000020124031	171005472	/nfs/dbraw/zinc/00/54/72/171005472.db2.gz	ZUSZCFRFVJHCFK-QWHCGFSZSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1	ZINC000020124214	171006351	/nfs/dbraw/zinc/00/63/51/171006351.db2.gz	JTDKYTFSTSYXLG-OLZOCXBDSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1	ZINC000020124215	171006534	/nfs/dbraw/zinc/00/65/34/171006534.db2.gz	JTDKYTFSTSYXLG-STQMWFEESA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1	ZINC000020124216	171006613	/nfs/dbraw/zinc/00/66/13/171006613.db2.gz	JTDKYTFSTSYXLG-CHWSQXEVSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Cl)c1	ZINC000020124217	171006387	/nfs/dbraw/zinc/00/63/87/171006387.db2.gz	JTDKYTFSTSYXLG-QWHCGFSZSA-N	1	0	284.790	4.623	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000034979757	171912147	/nfs/dbraw/zinc/91/21/47/171912147.db2.gz	CYKNMKAZOASBQE-OAHLLOKOSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000034979759	328837892	/nfs/dbraw/zinc/83/78/92/328837892.db2.gz	CYKNMKAZOASBQE-HNNXBMFYSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000035256361	330244713	/nfs/dbraw/zinc/24/47/13/330244713.db2.gz	FCWICCUIPOTWKN-HNNXBMFYSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000035256362	326815368	/nfs/dbraw/zinc/81/53/68/326815368.db2.gz	FCWICCUIPOTWKN-OAHLLOKOSA-N	1	0	278.399	4.532	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000036958480	326875727	/nfs/dbraw/zinc/87/57/27/326875727.db2.gz	AFHHMYBILVKVEJ-HUUCEWRRSA-N	1	0	278.399	4.532	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000036958481	326875768	/nfs/dbraw/zinc/87/57/68/326875768.db2.gz	AFHHMYBILVKVEJ-LSDHHAIUSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000036967578	333445072	/nfs/dbraw/zinc/44/50/72/333445072.db2.gz	BLWZAWKDBXKERE-DNVCBOLYSA-N	1	0	278.399	4.606	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)s1	ZINC000036991787	525470611	/nfs/dbraw/zinc/47/06/11/525470611.db2.gz	AMASDXZKHKCKGI-QWHCGFSZSA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)s1	ZINC000036991788	525525392	/nfs/dbraw/zinc/52/53/92/525525392.db2.gz	AMASDXZKHKCKGI-STQMWFEESA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)s1	ZINC000036991789	525474025	/nfs/dbraw/zinc/47/40/25/525474025.db2.gz	AMASDXZKHKCKGI-CHWSQXEVSA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)s1	ZINC000036991790	525530716	/nfs/dbraw/zinc/53/07/16/525530716.db2.gz	AMASDXZKHKCKGI-OLZOCXBDSA-N	1	0	284.428	4.648	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000036991817	333452432	/nfs/dbraw/zinc/45/24/32/333452432.db2.gz	XABGJRZRAJPZTD-KXBFYZLASA-N	1	0	278.399	4.750	20	30		CJEDRO
CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000036991819	333452455	/nfs/dbraw/zinc/45/24/55/333452455.db2.gz	XABGJRZRAJPZTD-BEFAXECRSA-N	1	0	278.399	4.750	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000036991820	333452376	/nfs/dbraw/zinc/45/23/76/333452376.db2.gz	XABGJRZRAJPZTD-DNVCBOLYSA-N	1	0	278.399	4.750	20	30		CJEDRO
Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1	ZINC000036991821	333452443	/nfs/dbraw/zinc/45/24/43/333452443.db2.gz	VNGLRBSGHDRZIQ-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
CSc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000036991852	526073620	/nfs/dbraw/zinc/07/36/20/526073620.db2.gz	NBXSHONSFTZYND-KBPBESRZSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000036991853	526076412	/nfs/dbraw/zinc/07/64/12/526076412.db2.gz	NBXSHONSFTZYND-KGLIPLIRSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000036991854	526061685	/nfs/dbraw/zinc/06/16/85/526061685.db2.gz	NBXSHONSFTZYND-UONOGXRCSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000036991855	526062672	/nfs/dbraw/zinc/06/26/72/526062672.db2.gz	NBXSHONSFTZYND-ZIAGYGMSSA-N	1	0	296.439	4.692	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1C	ZINC000036991858	333452410	/nfs/dbraw/zinc/45/24/10/333452410.db2.gz	HCZXBWZMQJPOME-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1C	ZINC000036991859	333452496	/nfs/dbraw/zinc/45/24/96/333452496.db2.gz	HCZXBWZMQJPOME-HOTGVXAUSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1C	ZINC000036991860	333452422	/nfs/dbraw/zinc/45/24/22/333452422.db2.gz	HCZXBWZMQJPOME-HZPDHXFCSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1C	ZINC000036991861	333452370	/nfs/dbraw/zinc/45/23/70/333452370.db2.gz	HCZXBWZMQJPOME-CVEARBPZSA-N	1	0	278.399	4.587	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1	ZINC000036991866	525528476	/nfs/dbraw/zinc/52/84/76/525528476.db2.gz	QWUGOSPEEUXDKQ-QWRGUYRKSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccc(C#N)cc1	ZINC000036991867	525606807	/nfs/dbraw/zinc/60/68/07/525606807.db2.gz	QWUGOSPEEUXDKQ-MNOVXSKESA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1	ZINC000036991868	525605768	/nfs/dbraw/zinc/60/57/68/525605768.db2.gz	QWUGOSPEEUXDKQ-WDEREUQCSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)s1	ZINC000036991869	525657732	/nfs/dbraw/zinc/65/77/32/525657732.db2.gz	QWUGOSPEEUXDKQ-GHMZBOCLSA-N	1	0	290.819	4.685	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1	ZINC000036991908	333452323	/nfs/dbraw/zinc/45/23/23/333452323.db2.gz	ZVQJMMSLDITDDC-HNAYVOBHSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C)cc1	ZINC000036991909	333452504	/nfs/dbraw/zinc/45/25/04/333452504.db2.gz	ZVQJMMSLDITDDC-BEFAXECRSA-N	1	0	278.399	4.669	20	30		CJEDRO
N#Cc1cccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)c1	ZINC000037128768	333491011	/nfs/dbraw/zinc/49/10/11/333491011.db2.gz	ZTPIAHPRUVKXSL-GOSISDBHSA-N	1	0	296.439	4.641	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1	ZINC000037218091	333515972	/nfs/dbraw/zinc/51/59/72/333515972.db2.gz	JZBLDTFFBYUTIJ-STQMWFEESA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1	ZINC000037218092	333515967	/nfs/dbraw/zinc/51/59/67/333515967.db2.gz	JZBLDTFFBYUTIJ-OLZOCXBDSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1cccc(C#N)c1	ZINC000037219175	333515949	/nfs/dbraw/zinc/51/59/49/333515949.db2.gz	ARMKKGPWYPFSQI-STQMWFEESA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1Cl	ZINC000037219177	333516117	/nfs/dbraw/zinc/51/61/17/333516117.db2.gz	ARMKKGPWYPFSQI-QWHCGFSZSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cccc(C#N)c1	ZINC000037219322	518178392	/nfs/dbraw/zinc/17/83/92/518178392.db2.gz	JRWKNLPWKYKLGU-OLZOCXBDSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000037219323	333516339	/nfs/dbraw/zinc/51/63/39/333516339.db2.gz	JRWKNLPWKYKLGU-QWHCGFSZSA-N	1	0	284.790	4.623	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cccc(Cl)c1	ZINC000037219324	333516253	/nfs/dbraw/zinc/51/62/53/333516253.db2.gz	JRWKNLPWKYKLGU-CHWSQXEVSA-N	1	0	284.790	4.623	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037281170	333530545	/nfs/dbraw/zinc/53/05/45/333530545.db2.gz	DCBGNOONMGZZDJ-KXBFYZLASA-N	1	0	278.399	4.606	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037281172	333530493	/nfs/dbraw/zinc/53/04/93/333530493.db2.gz	DCBGNOONMGZZDJ-HNAYVOBHSA-N	1	0	278.399	4.606	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037281173	333530504	/nfs/dbraw/zinc/53/05/04/333530504.db2.gz	DCBGNOONMGZZDJ-BEFAXECRSA-N	1	0	278.399	4.606	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)s1	ZINC000037284737	333531369	/nfs/dbraw/zinc/53/13/69/333531369.db2.gz	FBFMITBDCRGJEH-QWRGUYRKSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1cccc(C#N)c1	ZINC000037284738	333531401	/nfs/dbraw/zinc/53/14/01/333531401.db2.gz	FBFMITBDCRGJEH-MNOVXSKESA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)s1	ZINC000037284740	333531404	/nfs/dbraw/zinc/53/14/04/333531404.db2.gz	FBFMITBDCRGJEH-GHMZBOCLSA-N	1	0	290.819	4.685	20	30		CJEDRO
CSc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1	ZINC000037292233	526073894	/nfs/dbraw/zinc/07/38/94/526073894.db2.gz	ODTKNBPGGLDQEK-KBPBESRZSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1	ZINC000037292234	526062394	/nfs/dbraw/zinc/06/23/94/526062394.db2.gz	ODTKNBPGGLDQEK-KGLIPLIRSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1	ZINC000037292235	526075286	/nfs/dbraw/zinc/07/52/86/526075286.db2.gz	ODTKNBPGGLDQEK-UONOGXRCSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1	ZINC000037292236	526062502	/nfs/dbraw/zinc/06/25/02/526062502.db2.gz	ODTKNBPGGLDQEK-ZIAGYGMSSA-N	1	0	296.439	4.692	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C)cc1	ZINC000037296020	333531424	/nfs/dbraw/zinc/53/14/24/333531424.db2.gz	VIUZDNYPLIFJEG-HNAYVOBHSA-N	1	0	278.399	4.669	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037300132	333531417	/nfs/dbraw/zinc/53/14/17/333531417.db2.gz	WBBKQOMUYGKYFJ-KXBFYZLASA-N	1	0	278.399	4.750	20	30		CJEDRO
CCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037300134	333531336	/nfs/dbraw/zinc/53/13/36/333531336.db2.gz	WBBKQOMUYGKYFJ-HNAYVOBHSA-N	1	0	278.399	4.750	20	30		CJEDRO
CCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037300136	333531420	/nfs/dbraw/zinc/53/14/20/333531420.db2.gz	WBBKQOMUYGKYFJ-BEFAXECRSA-N	1	0	278.399	4.750	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000037300138	326843993	/nfs/dbraw/zinc/84/39/93/326843993.db2.gz	WBBKQOMUYGKYFJ-DNVCBOLYSA-N	1	0	278.399	4.750	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)s1	ZINC000037315110	260084910	/nfs/dbraw/zinc/08/49/10/260084910.db2.gz	RYBGRIGWKYBUJF-QWHCGFSZSA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)s1	ZINC000037315111	260084988	/nfs/dbraw/zinc/08/49/88/260084988.db2.gz	RYBGRIGWKYBUJF-STQMWFEESA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)s1	ZINC000037315112	260084836	/nfs/dbraw/zinc/08/48/36/260084836.db2.gz	RYBGRIGWKYBUJF-CHWSQXEVSA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)s1	ZINC000037315113	260084979	/nfs/dbraw/zinc/08/49/79/260084979.db2.gz	RYBGRIGWKYBUJF-OLZOCXBDSA-N	1	0	284.428	4.648	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1	ZINC000037508457	333534512	/nfs/dbraw/zinc/53/45/12/333534512.db2.gz	GUFQLYOELCYDOQ-HOTGVXAUSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1	ZINC000037508458	333534557	/nfs/dbraw/zinc/53/45/57/333534557.db2.gz	GUFQLYOELCYDOQ-HZPDHXFCSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1	ZINC000037772162	333538712	/nfs/dbraw/zinc/53/87/12/333538712.db2.gz	ISNYHOKCCHYYGT-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1	ZINC000037772163	333538791	/nfs/dbraw/zinc/53/87/91/333538791.db2.gz	ISNYHOKCCHYYGT-HOTGVXAUSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1	ZINC000037772165	333538752	/nfs/dbraw/zinc/53/87/52/333538752.db2.gz	ISNYHOKCCHYYGT-CVEARBPZSA-N	1	0	278.399	4.587	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)s1	ZINC000041203968	524026064	/nfs/dbraw/zinc/02/60/64/524026064.db2.gz	MJXBFVFETCIXDN-QWHCGFSZSA-N	1	0	284.428	4.594	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)s1	ZINC000041203970	524046992	/nfs/dbraw/zinc/04/69/92/524046992.db2.gz	MJXBFVFETCIXDN-STQMWFEESA-N	1	0	284.428	4.594	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)s1	ZINC000041203972	524027064	/nfs/dbraw/zinc/02/70/64/524027064.db2.gz	MJXBFVFETCIXDN-CHWSQXEVSA-N	1	0	284.428	4.594	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)s1	ZINC000041203974	524047522	/nfs/dbraw/zinc/04/75/22/524047522.db2.gz	MJXBFVFETCIXDN-OLZOCXBDSA-N	1	0	284.428	4.594	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1	ZINC000045041545	330337395	/nfs/dbraw/zinc/33/73/95/330337395.db2.gz	AOKCZDBRHLMDCW-HNNXBMFYSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1	ZINC000045041548	330337309	/nfs/dbraw/zinc/33/73/09/330337309.db2.gz	AOKCZDBRHLMDCW-OAHLLOKOSA-N	1	0	278.399	4.532	20	30		CJEDRO
C[C@H]([NH2+]Cc1csc2ccccc12)c1ccc(C#N)cc1	ZINC000047888087	327224998	/nfs/dbraw/zinc/22/49/98/327224998.db2.gz	LBJRVTQILKSLMA-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
C[C@@H]([NH2+]Cc1csc2ccccc12)c1ccc(C#N)cc1	ZINC000047888090	327224989	/nfs/dbraw/zinc/22/49/89/327224989.db2.gz	LBJRVTQILKSLMA-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H](CC)c2cccs2)cc1	ZINC000048416927	260655037	/nfs/dbraw/zinc/65/50/37/260655037.db2.gz	PFEKHFBXFXLNEN-INIZCTEOSA-N	1	0	287.428	4.554	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H](CC)c1cccs1	ZINC000048416977	328307940	/nfs/dbraw/zinc/30/79/40/328307940.db2.gz	UGRMMMLEQGAPFI-HNNXBMFYSA-N	1	0	287.428	4.554	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H](CC)c1cccs1	ZINC000048416981	328307856	/nfs/dbraw/zinc/30/78/56/328307856.db2.gz	UGRMMMLEQGAPFI-OAHLLOKOSA-N	1	0	287.428	4.554	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc2ccccc21	ZINC000052661275	328647978	/nfs/dbraw/zinc/64/79/78/328647978.db2.gz	MUKCHFXYFMJTFY-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc2ccccc21	ZINC000052661276	328647992	/nfs/dbraw/zinc/64/79/92/328647992.db2.gz	MUKCHFXYFMJTFY-OAHLLOKOSA-N	1	0	286.378	4.562	20	30		CJEDRO
CCC[N@H+](CCCC#N)[C@@H](C)c1cc2ccccc2o1	ZINC000053643424	328359984	/nfs/dbraw/zinc/35/99/84/328359984.db2.gz	GFANDSIWCDYDMX-AWEZNQCLSA-N	1	0	270.376	4.510	20	30		CJEDRO
CCC[N@H+](CCCC#N)[C@H](C)c1cc2ccccc2o1	ZINC000053643426	328359972	/nfs/dbraw/zinc/35/99/72/328359972.db2.gz	GFANDSIWCDYDMX-CQSZACIVSA-N	1	0	270.376	4.510	20	30		CJEDRO
CCc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)cc1	ZINC000057622713	330377129	/nfs/dbraw/zinc/37/71/29/330377129.db2.gz	TWZROVKCHYTWAZ-HXUWFJFHSA-N	1	0	292.426	4.608	20	30		CJEDRO
CCc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)C)cc1	ZINC000057622715	330377162	/nfs/dbraw/zinc/37/71/62/330377162.db2.gz	TWZROVKCHYTWAZ-FQEVSTJZSA-N	1	0	292.426	4.608	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccs1	ZINC000062422836	333551121	/nfs/dbraw/zinc/55/11/21/333551121.db2.gz	LJJPGERVTRBRAH-SFHVURJKSA-N	1	0	298.455	4.887	20	30		CJEDRO
N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1	ZINC000067505487	526709361	/nfs/dbraw/zinc/70/93/61/526709361.db2.gz	JTGQTXQEYHRPBJ-FQEVSTJZSA-N	1	0	290.410	4.579	20	30		CJEDRO
N#Cc1cccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)c1	ZINC000067505488	526709837	/nfs/dbraw/zinc/70/98/37/526709837.db2.gz	JTGQTXQEYHRPBJ-HXUWFJFHSA-N	1	0	290.410	4.579	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1	ZINC000067505515	526625838	/nfs/dbraw/zinc/62/58/38/526625838.db2.gz	RHDOLVUFGRHSDG-FQEVSTJZSA-N	1	0	290.410	4.579	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1	ZINC000067505516	526627018	/nfs/dbraw/zinc/62/70/18/526627018.db2.gz	RHDOLVUFGRHSDG-HXUWFJFHSA-N	1	0	290.410	4.579	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc2ccccc2c1	ZINC000070742643	333825301	/nfs/dbraw/zinc/82/53/01/333825301.db2.gz	WRKYGJJVLGTWLE-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
N#CCCCC[NH+](Cc1cccs1)Cc1cccs1	ZINC000071115117	260272099	/nfs/dbraw/zinc/27/20/99/260272099.db2.gz	PPMLBEMNGLMWAQ-UHFFFAOYSA-N	1	0	290.457	4.506	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1	ZINC000078878122	334141877	/nfs/dbraw/zinc/14/18/77/334141877.db2.gz	GVMBNTNOCADVJE-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1ccc(C#N)cc1	ZINC000078878127	334141768	/nfs/dbraw/zinc/14/17/68/334141768.db2.gz	GVMBNTNOCADVJE-OAHLLOKOSA-N	1	0	286.378	4.562	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C	ZINC000080347421	334170689	/nfs/dbraw/zinc/17/06/89/334170689.db2.gz	PFRIJHMODVFRTG-KRWDZBQOSA-N	1	0	298.455	4.805	20	30		CJEDRO
C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)cc1Cl	ZINC000087590996	326942419	/nfs/dbraw/zinc/94/24/19/326942419.db2.gz	GBYPXCMGYOFBEG-JTQLQIEISA-N	1	0	285.218	4.584	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1Cl	ZINC000087597114	260191733	/nfs/dbraw/zinc/19/17/33/260191733.db2.gz	BBJVVZHIEFWAAD-NSHDSACASA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1Cl	ZINC000087597116	260191913	/nfs/dbraw/zinc/19/19/13/260191913.db2.gz	BBJVVZHIEFWAAD-LLVKDONJSA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@@H](c1ccccc1Cl)[N@H+](C)CCCC(C)(C)C#N	ZINC000087608706	260192605	/nfs/dbraw/zinc/19/26/05/260192605.db2.gz	HMSCSJTZJJZLAD-ZDUSSCGKSA-N	1	0	278.827	4.663	20	30		CJEDRO
C[C@H](c1ccccc1Cl)[N@H+](C)CCCC(C)(C)C#N	ZINC000087608707	260192473	/nfs/dbraw/zinc/19/24/73/260192473.db2.gz	HMSCSJTZJJZLAD-CYBMUJFWSA-N	1	0	278.827	4.663	20	30		CJEDRO
C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCC(C)(C)C#N	ZINC000087608708	260192116	/nfs/dbraw/zinc/19/21/16/260192116.db2.gz	KYGAFAPOIBPBTR-ZDUSSCGKSA-N	1	0	278.827	4.663	20	30		CJEDRO
C[C@H](c1cccc(Cl)c1)[N@H+](C)CCCC(C)(C)C#N	ZINC000087608709	260192532	/nfs/dbraw/zinc/19/25/32/260192532.db2.gz	KYGAFAPOIBPBTR-CYBMUJFWSA-N	1	0	278.827	4.663	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1	ZINC000090580610	330393808	/nfs/dbraw/zinc/39/38/08/330393808.db2.gz	IZMYPRZMFHWVRD-KSSFIOAISA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1	ZINC000090580611	330393720	/nfs/dbraw/zinc/39/37/20/330393720.db2.gz	IZMYPRZMFHWVRD-KDOFPFPSSA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccccc1	ZINC000090580612	330393796	/nfs/dbraw/zinc/39/37/96/330393796.db2.gz	IZMYPRZMFHWVRD-KBXCAEBGSA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccccc1	ZINC000090580614	330393763	/nfs/dbraw/zinc/39/37/63/330393763.db2.gz	IZMYPRZMFHWVRD-RDTXWAMCSA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1	ZINC000090580772	330393728	/nfs/dbraw/zinc/39/37/28/330393728.db2.gz	OQBPZLFNXDGHCM-ZFWWWQNUSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1nccs1)c1ccccc1	ZINC000090580780	330393736	/nfs/dbraw/zinc/39/37/36/330393736.db2.gz	OQBPZLFNXDGHCM-HIFRSBDPSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccccc1	ZINC000090580782	330393759	/nfs/dbraw/zinc/39/37/59/330393759.db2.gz	OQBPZLFNXDGHCM-DZGCQCFKSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1nccs1)c1ccccc1	ZINC000090580783	330393784	/nfs/dbraw/zinc/39/37/84/330393784.db2.gz	OQBPZLFNXDGHCM-UKRRQHHQSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1	ZINC000090580907	330393803	/nfs/dbraw/zinc/39/38/03/330393803.db2.gz	ATLRSITUMMWCAX-HOCLYGCPSA-N	1	0	255.361	4.638	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1ccco1)c1ccccc1	ZINC000090580909	330393774	/nfs/dbraw/zinc/39/37/74/330393774.db2.gz	ATLRSITUMMWCAX-ZBFHGGJFSA-N	1	0	255.361	4.638	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccccc1	ZINC000090580910	330393717	/nfs/dbraw/zinc/39/37/17/330393717.db2.gz	ATLRSITUMMWCAX-GOEBONIOSA-N	1	0	255.361	4.638	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccccc1	ZINC000090580911	330393745	/nfs/dbraw/zinc/39/37/45/330393745.db2.gz	ATLRSITUMMWCAX-GDBMZVCRSA-N	1	0	255.361	4.638	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccs1	ZINC000090664533	330394690	/nfs/dbraw/zinc/39/46/90/330394690.db2.gz	RVKWKTROFUAYJR-HZPDHXFCSA-N	1	0	284.428	4.834	20	30		CJEDRO
Cc1ccc2c(c1)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2	ZINC000090665042	260465156	/nfs/dbraw/zinc/46/51/56/260465156.db2.gz	ONEBDQKFEPHXTM-UXHICEINSA-N	1	0	290.410	4.617	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1	ZINC000090665172	260465166	/nfs/dbraw/zinc/46/51/66/260465166.db2.gz	ITAQOKRVJZYRTQ-LPHOPBHVSA-N	1	0	278.399	4.691	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000090665373	260465303	/nfs/dbraw/zinc/46/53/03/260465303.db2.gz	WPJFZAIVUXMLMA-KSSFIOAISA-N	1	0	282.362	4.521	20	30		CJEDRO
N#CCC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1	ZINC000090665377	330394655	/nfs/dbraw/zinc/39/46/55/330394655.db2.gz	OPZASZOHISBWJZ-WOJBJXKFSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCC[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1	ZINC000090665378	330394604	/nfs/dbraw/zinc/39/46/04/330394604.db2.gz	OPZASZOHISBWJZ-VQTJNVASSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCC[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1	ZINC000090665379	330394621	/nfs/dbraw/zinc/39/46/21/330394621.db2.gz	OPZASZOHISBWJZ-UXHICEINSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCC[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1	ZINC000090665380	330394676	/nfs/dbraw/zinc/39/46/76/330394676.db2.gz	OPZASZOHISBWJZ-PMACEKPBSA-N	1	0	290.410	4.699	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1C	ZINC000090665385	330394709	/nfs/dbraw/zinc/39/47/09/330394709.db2.gz	XMVYHUQZSJFCLD-XLIONFOSSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1C	ZINC000090665386	330394692	/nfs/dbraw/zinc/39/46/92/330394692.db2.gz	XMVYHUQZSJFCLD-PXNSSMCTSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1C	ZINC000090665387	330394705	/nfs/dbraw/zinc/39/47/05/330394705.db2.gz	XMVYHUQZSJFCLD-YLJYHZDGSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1C	ZINC000090665388	330394698	/nfs/dbraw/zinc/39/46/98/330394698.db2.gz	XMVYHUQZSJFCLD-FXAWDEMLSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1	ZINC000090665422	260465147	/nfs/dbraw/zinc/46/51/47/260465147.db2.gz	JRNDKXGTEICACG-HOCLYGCPSA-N	1	0	284.428	4.752	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1	ZINC000090665569	330394595	/nfs/dbraw/zinc/39/45/95/330394595.db2.gz	PFNQOKUKKSXMIU-UZLBHIALSA-N	1	0	292.426	4.945	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1	ZINC000090665570	330394608	/nfs/dbraw/zinc/39/46/08/330394608.db2.gz	PFNQOKUKKSXMIU-JXFKEZNVSA-N	1	0	292.426	4.945	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1	ZINC000090665571	330394554	/nfs/dbraw/zinc/39/45/54/330394554.db2.gz	PFNQOKUKKSXMIU-OXQOHEQNSA-N	1	0	292.426	4.945	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1	ZINC000090665572	330394589	/nfs/dbraw/zinc/39/45/89/330394589.db2.gz	PFNQOKUKKSXMIU-OXJNMPFZSA-N	1	0	292.426	4.945	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1	ZINC000090665607	260465398	/nfs/dbraw/zinc/46/53/98/260465398.db2.gz	WVHYFVOLVSZWJI-VQIMIIECSA-N	1	0	278.399	4.691	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000090665701	330394627	/nfs/dbraw/zinc/39/46/27/330394627.db2.gz	OUZRFMAIJYYTMH-OALUTQOASA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000090665702	330394619	/nfs/dbraw/zinc/39/46/19/330394619.db2.gz	OUZRFMAIJYYTMH-MOPGFXCFSA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000090665703	330394631	/nfs/dbraw/zinc/39/46/31/330394631.db2.gz	OUZRFMAIJYYTMH-RBUKOAKNSA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000090665704	330394610	/nfs/dbraw/zinc/39/46/10/330394610.db2.gz	OUZRFMAIJYYTMH-RTBURBONSA-N	1	0	296.389	4.911	20	30		CJEDRO
Cc1ccccc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000090665729	330394674	/nfs/dbraw/zinc/39/46/74/330394674.db2.gz	PGXXMLRFKFVRBV-APWZRJJASA-N	1	0	278.399	4.691	20	30		CJEDRO
Cc1ccccc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000090665730	330394652	/nfs/dbraw/zinc/39/46/52/330394652.db2.gz	PGXXMLRFKFVRBV-LPHOPBHVSA-N	1	0	278.399	4.691	20	30		CJEDRO
Cc1ccccc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000090665731	330394680	/nfs/dbraw/zinc/39/46/80/330394680.db2.gz	PGXXMLRFKFVRBV-VQIMIIECSA-N	1	0	278.399	4.691	20	30		CJEDRO
Cc1ccccc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000090665732	330394576	/nfs/dbraw/zinc/39/45/76/330394576.db2.gz	PGXXMLRFKFVRBV-QFBILLFUSA-N	1	0	278.399	4.691	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1C	ZINC000090666007	330394810	/nfs/dbraw/zinc/39/48/10/330394810.db2.gz	XXVUMBXSQKWOTN-XLIONFOSSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1C	ZINC000090666008	330394865	/nfs/dbraw/zinc/39/48/65/330394865.db2.gz	XXVUMBXSQKWOTN-PXNSSMCTSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1C	ZINC000090666009	330394807	/nfs/dbraw/zinc/39/48/07/330394807.db2.gz	XXVUMBXSQKWOTN-YLJYHZDGSA-N	1	0	292.426	4.999	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1C	ZINC000090666010	330394868	/nfs/dbraw/zinc/39/48/68/330394868.db2.gz	XXVUMBXSQKWOTN-FXAWDEMLSA-N	1	0	292.426	4.999	20	30		CJEDRO
N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2)cc1	ZINC000091068130	334371704	/nfs/dbraw/zinc/37/17/04/334371704.db2.gz	HHXYWHYBTDITOH-UHFFFAOYSA-N	1	0	298.389	4.515	20	30		CJEDRO
N#CCCCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1	ZINC000091319623	334376190	/nfs/dbraw/zinc/37/61/90/334376190.db2.gz	DPUIRQICVBQOCG-OAHLLOKOSA-N	1	0	297.229	4.728	20	30		CJEDRO
N#CCCCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1	ZINC000091319626	334376331	/nfs/dbraw/zinc/37/63/31/334376331.db2.gz	DPUIRQICVBQOCG-HNNXBMFYSA-N	1	0	297.229	4.728	20	30		CJEDRO
CC(C)[C@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1	ZINC000091319651	334376363	/nfs/dbraw/zinc/37/63/63/334376363.db2.gz	SARHCUIWYHSTDI-HNNXBMFYSA-N	1	0	298.352	4.686	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCCCC#N)c1ccc(C(F)(F)F)cc1	ZINC000091319652	334376207	/nfs/dbraw/zinc/37/62/07/334376207.db2.gz	SARHCUIWYHSTDI-OAHLLOKOSA-N	1	0	298.352	4.686	20	30		CJEDRO
CC(C)[C@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1	ZINC000091319693	334376249	/nfs/dbraw/zinc/37/62/49/334376249.db2.gz	OREQQIHZGAZZQK-HNNXBMFYSA-N	1	0	298.352	4.686	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1	ZINC000091319695	334376360	/nfs/dbraw/zinc/37/63/60/334376360.db2.gz	OREQQIHZGAZZQK-OAHLLOKOSA-N	1	0	298.352	4.686	20	30		CJEDRO
CC[N@H+](CC(C)(C)CCC#N)[C@H](C)c1ccc(F)cc1	ZINC000092124124	260483631	/nfs/dbraw/zinc/48/36/31/260483631.db2.gz	FHJWBNSQGISHCT-CQSZACIVSA-N	1	0	276.399	4.539	20	30		CJEDRO
CC(C)CC[N@H+](CCCC(C)(C)C#N)C1CCCC1	ZINC000093097753	260183996	/nfs/dbraw/zinc/18/39/96/260183996.db2.gz	UPNLZKZTVPTEOR-UHFFFAOYSA-N	1	0	264.457	4.607	20	30		CJEDRO
C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc2ccccc21	ZINC000093492097	265181224	/nfs/dbraw/zinc/18/12/24/265181224.db2.gz	DPARFKPPXOGBEP-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc2ccccc21	ZINC000093492098	265182150	/nfs/dbraw/zinc/18/21/50/265182150.db2.gz	DPARFKPPXOGBEP-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
CCc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)C(C)C)cc1	ZINC000093492170	265181437	/nfs/dbraw/zinc/18/14/37/265181437.db2.gz	NTMPNHBQCRRDDJ-GOSISDBHSA-N	1	0	298.455	4.669	20	30		CJEDRO
CCc1ccc([C@@H]([NH2+]Cc2cc(C#N)cs2)C(C)C)cc1	ZINC000093492171	265182471	/nfs/dbraw/zinc/18/24/71/265182471.db2.gz	NTMPNHBQCRRDDJ-SFHVURJKSA-N	1	0	298.455	4.669	20	30		CJEDRO
CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1	ZINC000093492280	265182299	/nfs/dbraw/zinc/18/22/99/265182299.db2.gz	KKOBAEZAAREBFZ-HNNXBMFYSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1	ZINC000093492281	265181844	/nfs/dbraw/zinc/18/18/44/265181844.db2.gz	KKOBAEZAAREBFZ-OAHLLOKOSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1	ZINC000093492349	265183356	/nfs/dbraw/zinc/18/33/56/265183356.db2.gz	VUHOVWCXMYRGOY-HNNXBMFYSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(Cl)c1	ZINC000093492350	265183082	/nfs/dbraw/zinc/18/30/82/265183082.db2.gz	VUHOVWCXMYRGOY-OAHLLOKOSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1	ZINC000093492352	265184166	/nfs/dbraw/zinc/18/41/66/265184166.db2.gz	CXZGEUHEZOZCBV-KRWDZBQOSA-N	1	0	298.455	4.887	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1	ZINC000093492353	265183404	/nfs/dbraw/zinc/18/34/04/265183404.db2.gz	CXZGEUHEZOZCBV-QGZVFWFLSA-N	1	0	298.455	4.887	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1	ZINC000093492500	265184301	/nfs/dbraw/zinc/18/43/01/265184301.db2.gz	RGXJNLBZBDXTNP-SFHVURJKSA-N	1	0	298.455	4.887	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1	ZINC000093492501	265183601	/nfs/dbraw/zinc/18/36/01/265183601.db2.gz	RGXJNLBZBDXTNP-GOSISDBHSA-N	1	0	298.455	4.887	20	30		CJEDRO
CCCc1ccc([C@H]([NH2+]CCCCC#N)C(C)C)cc1	ZINC000096982041	185145612	/nfs/dbraw/zinc/14/56/12/185145612.db2.gz	XWWYTPKIVARXOM-GOSISDBHSA-N	1	0	272.436	4.620	20	30		CJEDRO
CCCc1ccc([C@@H]([NH2+]CCCCC#N)C(C)C)cc1	ZINC000096982042	185145635	/nfs/dbraw/zinc/14/56/35/185145635.db2.gz	XWWYTPKIVARXOM-SFHVURJKSA-N	1	0	272.436	4.620	20	30		CJEDRO
CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000098069358	265643309	/nfs/dbraw/zinc/64/33/09/265643309.db2.gz	NOKDGVCPGJHHSC-MRXNPFEDSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC[N@H+](CCCCC#N)[C@@H](C)c1cc2ccccc2o1	ZINC000102397945	327226988	/nfs/dbraw/zinc/22/69/88/327226988.db2.gz	FYYYLPFYDNQNRE-AWEZNQCLSA-N	1	0	270.376	4.510	20	30		CJEDRO
CC[N@H+](CCCCC#N)[C@H](C)c1cc2ccccc2o1	ZINC000102397950	327226966	/nfs/dbraw/zinc/22/69/66/327226966.db2.gz	FYYYLPFYDNQNRE-CQSZACIVSA-N	1	0	270.376	4.510	20	30		CJEDRO
N#CCCC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000102656791	261266679	/nfs/dbraw/zinc/26/66/79/261266679.db2.gz	HUMLUTSHKXAMKG-HNNXBMFYSA-N	1	0	296.336	4.536	20	30		CJEDRO
N#CCCC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000102656792	261267260	/nfs/dbraw/zinc/26/72/60/261267260.db2.gz	HUMLUTSHKXAMKG-OAHLLOKOSA-N	1	0	296.336	4.536	20	30		CJEDRO
CCC(CC)([NH2+]CCCCC#N)c1ccc(Cl)cc1	ZINC000103480376	328770909	/nfs/dbraw/zinc/77/09/09/328770909.db2.gz	FEIMJHBAGXYPNR-UHFFFAOYSA-N	1	0	278.827	4.639	20	30		CJEDRO
C=C(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000110057552	328031278	/nfs/dbraw/zinc/03/12/78/328031278.db2.gz	XYUAGRPGVCENMB-UHFFFAOYSA-N	1	0	291.316	4.508	20	30		CJEDRO
C=C(C[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1	ZINC000110057672	328031345	/nfs/dbraw/zinc/03/13/45/328031345.db2.gz	MYUZDWUYZHQXGW-UHFFFAOYSA-N	1	0	291.316	4.508	20	30		CJEDRO
C=C(C[NH2+]Cc1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000110057685	328031362	/nfs/dbraw/zinc/03/13/62/328031362.db2.gz	JYLRKSWPAYYWPO-UHFFFAOYSA-N	1	0	291.316	4.508	20	30		CJEDRO
C=C(C)C[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000110456109	328052744	/nfs/dbraw/zinc/05/27/44/328052744.db2.gz	VQOILLUMAWTQBT-OAHLLOKOSA-N	1	0	283.337	4.809	20	30		CJEDRO
C=C(C)C[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000110456112	328052691	/nfs/dbraw/zinc/05/26/91/328052691.db2.gz	VQOILLUMAWTQBT-HNNXBMFYSA-N	1	0	283.337	4.809	20	30		CJEDRO
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000118390992	330367093	/nfs/dbraw/zinc/36/70/93/330367093.db2.gz	VCKKJXHFAOCRCF-XJKSGUPXSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000118390995	330367162	/nfs/dbraw/zinc/36/71/62/330367162.db2.gz	VCKKJXHFAOCRCF-CZUORRHYSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000118393263	330367073	/nfs/dbraw/zinc/36/70/73/330367073.db2.gz	ROYIUYHAEBANFA-SUMWQHHRSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000118393265	330367037	/nfs/dbraw/zinc/36/70/37/330367037.db2.gz	ROYIUYHAEBANFA-CXAGYDPISA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1	ZINC000118397730	330367066	/nfs/dbraw/zinc/36/70/66/330367066.db2.gz	COTDWBVWMHRTBV-YWZLYKJASA-N	1	0	290.410	4.750	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1	ZINC000118397732	330367071	/nfs/dbraw/zinc/36/70/71/330367071.db2.gz	COTDWBVWMHRTBV-QRWLVFNGSA-N	1	0	290.410	4.750	20	30		CJEDRO
C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1	ZINC000118397734	330367145	/nfs/dbraw/zinc/36/71/45/330367145.db2.gz	COTDWBVWMHRTBV-MGPUTAFESA-N	1	0	290.410	4.750	20	30		CJEDRO
C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1	ZINC000118397737	330367052	/nfs/dbraw/zinc/36/70/52/330367052.db2.gz	COTDWBVWMHRTBV-FOIQADDNSA-N	1	0	290.410	4.750	20	30		CJEDRO
Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCCCC#N	ZINC000118975904	330369332	/nfs/dbraw/zinc/36/93/32/330369332.db2.gz	PNSBQQSXIPCVCT-QGZVFWFLSA-N	1	0	298.455	4.624	20	30		CJEDRO
Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCCCC#N	ZINC000118976002	330369346	/nfs/dbraw/zinc/36/93/46/330369346.db2.gz	PNSBQQSXIPCVCT-KRWDZBQOSA-N	1	0	298.455	4.624	20	30		CJEDRO
C[C@@H](c1ccccc1Cl)[N@H+](CCCCC#N)C1CC1	ZINC000120085360	330385470	/nfs/dbraw/zinc/38/54/70/330385470.db2.gz	PFZXIQYUEZBVNJ-ZDUSSCGKSA-N	1	0	276.811	4.559	20	30		CJEDRO
C[C@H](c1ccccc1Cl)[N@H+](CCCCC#N)C1CC1	ZINC000120085516	330385434	/nfs/dbraw/zinc/38/54/34/330385434.db2.gz	PFZXIQYUEZBVNJ-CYBMUJFWSA-N	1	0	276.811	4.559	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CC1	ZINC000120716841	330391830	/nfs/dbraw/zinc/39/18/30/330391830.db2.gz	SMQKYMQXIFEZAF-IRXDYDNUSA-N	1	0	298.455	4.567	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)C1CC1	ZINC000120717020	330391823	/nfs/dbraw/zinc/39/18/23/330391823.db2.gz	SMQKYMQXIFEZAF-SJORKVTESA-N	1	0	298.455	4.567	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CC1	ZINC000120717221	330391813	/nfs/dbraw/zinc/39/18/13/330391813.db2.gz	SMQKYMQXIFEZAF-DLBZAZTESA-N	1	0	298.455	4.567	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)C1CC1	ZINC000120717377	330391858	/nfs/dbraw/zinc/39/18/58/330391858.db2.gz	SMQKYMQXIFEZAF-IAGOWNOFSA-N	1	0	298.455	4.567	20	30		CJEDRO
C[C@@H](c1ccccc1)[N@H+](CCCCC#N)CC1CCC1	ZINC000121106925	330396179	/nfs/dbraw/zinc/39/61/79/330396179.db2.gz	LGMQFZPIGNTJSB-INIZCTEOSA-N	1	0	270.420	4.544	20	30		CJEDRO
C[C@H](c1ccccc1)[N@H+](CCCCC#N)CC1CCC1	ZINC000121107115	330396211	/nfs/dbraw/zinc/39/62/11/330396211.db2.gz	LGMQFZPIGNTJSB-MRXNPFEDSA-N	1	0	270.420	4.544	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+]C(c1ccccc1)c1ccccc1	ZINC000124588457	333560032	/nfs/dbraw/zinc/56/00/32/333560032.db2.gz	CFFSONPMIXZNQF-UHFFFAOYSA-N	1	0	292.426	4.696	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)o1	ZINC000128898920	333725205	/nfs/dbraw/zinc/72/52/05/333725205.db2.gz	XPEMXADABMBQGD-IBGZPJMESA-N	1	0	294.398	4.562	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)sc1Cl	ZINC000129619361	327156817	/nfs/dbraw/zinc/15/68/17/327156817.db2.gz	VYHDDPXHDMRSKL-YUMQZZPRSA-N	1	0	264.221	4.670	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)sc1Cl	ZINC000129619770	333783028	/nfs/dbraw/zinc/78/30/28/333783028.db2.gz	VYHDDPXHDMRSKL-JGVFFNPUSA-N	1	0	264.221	4.670	20	30		CJEDRO
Cc1cc(Cl)ccc1C[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000130313166	329624116	/nfs/dbraw/zinc/62/41/16/329624116.db2.gz	NTHDPCAZPHAZNE-SFHVURJKSA-N	1	0	298.817	4.783	20	30		CJEDRO
Cc1cc(Cl)ccc1C[NH2+][C@H](CCC#N)c1ccccc1	ZINC000130313388	329624207	/nfs/dbraw/zinc/62/42/07/329624207.db2.gz	NTHDPCAZPHAZNE-GOSISDBHSA-N	1	0	298.817	4.783	20	30		CJEDRO
Cc1cc(C)c(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1C	ZINC000130404492	333841210	/nfs/dbraw/zinc/84/12/10/333841210.db2.gz	GCCUBABVSJWZJX-FQEVSTJZSA-N	1	0	292.426	4.747	20	30		CJEDRO
CSc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1	ZINC000130513578	260857529	/nfs/dbraw/zinc/85/75/29/260857529.db2.gz	BJJXNPZCJBGAKE-SFHVURJKSA-N	1	0	296.439	4.543	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1	ZINC000130524792	333849782	/nfs/dbraw/zinc/84/97/82/333849782.db2.gz	GQCODZYBVJVURS-FQEVSTJZSA-N	1	0	292.426	4.945	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1	ZINC000130525015	333849796	/nfs/dbraw/zinc/84/97/96/333849796.db2.gz	GQCODZYBVJVURS-HXUWFJFHSA-N	1	0	292.426	4.945	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1	ZINC000134731861	334102104	/nfs/dbraw/zinc/10/21/04/334102104.db2.gz	XQNKZOOGFHYFEV-LPHOPBHVSA-N	1	0	265.400	4.525	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ccccc1	ZINC000134731878	334102135	/nfs/dbraw/zinc/10/21/35/334102135.db2.gz	XQNKZOOGFHYFEV-APWZRJJASA-N	1	0	265.400	4.525	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1	ZINC000134731904	334102155	/nfs/dbraw/zinc/10/21/55/334102155.db2.gz	XQNKZOOGFHYFEV-QFBILLFUSA-N	1	0	265.400	4.525	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ccccc1	ZINC000134731923	334102063	/nfs/dbraw/zinc/10/20/63/334102063.db2.gz	XQNKZOOGFHYFEV-VQIMIIECSA-N	1	0	265.400	4.525	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1	ZINC000134747732	334103005	/nfs/dbraw/zinc/10/30/05/334103005.db2.gz	NTHVGPPLLFGQIU-LBPRGKRZSA-N	1	0	298.411	4.611	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1	ZINC000134747752	334102844	/nfs/dbraw/zinc/10/28/44/334102844.db2.gz	NTHVGPPLLFGQIU-GFCCVEGCSA-N	1	0	298.411	4.611	20	30		CJEDRO
CC[N@H+](Cc1cccs1)Cc1ccccc1C(C)(C)C#N	ZINC000135105132	334115625	/nfs/dbraw/zinc/11/56/25/334115625.db2.gz	XTECJCSLARHLEZ-UHFFFAOYSA-N	1	0	298.455	4.571	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1	ZINC000135125425	334116867	/nfs/dbraw/zinc/11/68/67/334116867.db2.gz	CMYXPBNQSDHZJK-OAHLLOKOSA-N	1	0	272.436	4.791	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1	ZINC000135125447	334116752	/nfs/dbraw/zinc/11/67/52/334116752.db2.gz	CMYXPBNQSDHZJK-HNNXBMFYSA-N	1	0	272.436	4.791	20	30		CJEDRO
C[C@@H](c1cccs1)[N@H+](C)Cc1ccccc1C(C)(C)C#N	ZINC000135130144	334117077	/nfs/dbraw/zinc/11/70/77/334117077.db2.gz	NYOXGTZRQSSDLH-AWEZNQCLSA-N	1	0	298.455	4.742	20	30		CJEDRO
C[C@H](c1cccs1)[N@H+](C)Cc1ccccc1C(C)(C)C#N	ZINC000135130166	334117012	/nfs/dbraw/zinc/11/70/12/334117012.db2.gz	NYOXGTZRQSSDLH-CQSZACIVSA-N	1	0	298.455	4.742	20	30		CJEDRO
CCC(C)(C)C1CCC([NH2+]CC(C)(C)CCC#N)CC1	ZINC000135132814	334116985	/nfs/dbraw/zinc/11/69/85/334116985.db2.gz	QKPHRRVVZULIAU-UHFFFAOYSA-N	1	0	278.484	4.901	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1CCC(c2ccccc2)CC1	ZINC000135139967	334117623	/nfs/dbraw/zinc/11/76/23/334117623.db2.gz	ZFYFCMZVFZCIPA-UHFFFAOYSA-N	1	0	284.447	4.632	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000135667918	334135697	/nfs/dbraw/zinc/13/56/97/334135697.db2.gz	BDNZLZZBPADKIB-CYBMUJFWSA-N	1	0	284.428	4.594	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000135667949	334135595	/nfs/dbraw/zinc/13/55/95/334135595.db2.gz	BDNZLZZBPADKIB-ZDUSSCGKSA-N	1	0	284.428	4.594	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc2ccccc21	ZINC000135668825	334135692	/nfs/dbraw/zinc/13/56/92/334135692.db2.gz	HNITYJULSWMNSR-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc2ccccc21	ZINC000135668853	334135602	/nfs/dbraw/zinc/13/56/02/334135602.db2.gz	HNITYJULSWMNSR-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000135670095	334135808	/nfs/dbraw/zinc/13/58/08/334135808.db2.gz	YSEFOPSKKVWUTM-CQSZACIVSA-N	1	0	298.455	4.669	20	30		CJEDRO
CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000135670118	334135890	/nfs/dbraw/zinc/13/58/90/334135890.db2.gz	YSEFOPSKKVWUTM-AWEZNQCLSA-N	1	0	298.455	4.669	20	30		CJEDRO
CCc1ccc([C@H]([NH2+]Cc2ccc(C#N)s2)C(C)C)cc1	ZINC000135671828	334135749	/nfs/dbraw/zinc/13/57/49/334135749.db2.gz	WUQAVXTZMZEHAK-GOSISDBHSA-N	1	0	298.455	4.669	20	30		CJEDRO
CCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)C)cc1	ZINC000135671856	334135928	/nfs/dbraw/zinc/13/59/28/334135928.db2.gz	WUQAVXTZMZEHAK-SFHVURJKSA-N	1	0	298.455	4.669	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1	ZINC000135676519	334135980	/nfs/dbraw/zinc/13/59/80/334135980.db2.gz	MZNZDZUUZMASNL-HNNXBMFYSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1	ZINC000135676543	334135971	/nfs/dbraw/zinc/13/59/71/334135971.db2.gz	MZNZDZUUZMASNL-OAHLLOKOSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1	ZINC000135679540	334136027	/nfs/dbraw/zinc/13/60/27/334136027.db2.gz	SRAQAKARQSZPKY-KRWDZBQOSA-N	1	0	298.455	4.887	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1	ZINC000135679575	334136107	/nfs/dbraw/zinc/13/61/07/334136107.db2.gz	SRAQAKARQSZPKY-QGZVFWFLSA-N	1	0	298.455	4.887	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C(C)(C)C)s1)c1ccc(C#N)cc1	ZINC000149718952	330577459	/nfs/dbraw/zinc/57/74/59/330577459.db2.gz	FSSJNHSKKRKHCT-ZDUSSCGKSA-N	1	0	298.455	4.768	20	30		CJEDRO
CCSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1	ZINC000151377834	327468133	/nfs/dbraw/zinc/46/81/33/327468133.db2.gz	LPENMBCRDSAJIZ-CQSZACIVSA-N	1	0	296.439	4.521	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1cccc(C#N)c1	ZINC000153722255	334678283	/nfs/dbraw/zinc/67/82/83/334678283.db2.gz	LEYAKBQZKXZQJU-IFXJQAMLSA-N	1	0	290.410	4.631	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)c1cccc(C#N)c1	ZINC000153722360	334678298	/nfs/dbraw/zinc/67/82/98/334678298.db2.gz	LEYAKBQZKXZQJU-AUUYWEPGSA-N	1	0	290.410	4.631	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1cccc(C#N)c1	ZINC000153722439	334678312	/nfs/dbraw/zinc/67/83/12/334678312.db2.gz	LEYAKBQZKXZQJU-LIRRHRJNSA-N	1	0	290.410	4.631	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1cccc(C#N)c1	ZINC000153722552	334678328	/nfs/dbraw/zinc/67/83/28/334678328.db2.gz	LEYAKBQZKXZQJU-KUHUBIRLSA-N	1	0	290.410	4.631	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCc2cc(Cl)ccc21)c1cccc(C#N)c1	ZINC000153731927	334678211	/nfs/dbraw/zinc/67/82/11/334678211.db2.gz	YUACXYBSABNBKC-KZULUSFZSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1cccc(C#N)c1	ZINC000153732099	334678281	/nfs/dbraw/zinc/67/82/81/334678281.db2.gz	YUACXYBSABNBKC-XIKOKIGWSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCC2	ZINC000154333638	334692821	/nfs/dbraw/zinc/69/28/21/334692821.db2.gz	JMHYPHZCOAIRIO-STQMWFEESA-N	1	0	296.439	4.520	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cc2c(s1)CCC2)c1ccc(C#N)cc1	ZINC000154333746	334692907	/nfs/dbraw/zinc/69/29/07/334692907.db2.gz	JMHYPHZCOAIRIO-OLZOCXBDSA-N	1	0	296.439	4.520	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2c(s1)CCC2	ZINC000154333862	334692868	/nfs/dbraw/zinc/69/28/68/334692868.db2.gz	JMHYPHZCOAIRIO-QWHCGFSZSA-N	1	0	296.439	4.520	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1	ZINC000160961427	330881666	/nfs/dbraw/zinc/88/16/66/330881666.db2.gz	CNRLMURWHKCANE-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCCC#N	ZINC000160962438	328100728	/nfs/dbraw/zinc/10/07/28/328100728.db2.gz	ABLZNOSZXBBHKC-NSHDSACASA-N	1	0	285.218	4.680	20	30		CJEDRO
C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCCCC#N	ZINC000160962560	328100680	/nfs/dbraw/zinc/10/06/80/328100680.db2.gz	ABLZNOSZXBBHKC-LLVKDONJSA-N	1	0	285.218	4.680	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccs1	ZINC000162665741	330948600	/nfs/dbraw/zinc/94/86/00/330948600.db2.gz	GSYWUYGNDYWRKO-AWEZNQCLSA-N	1	0	290.819	4.514	20	30		CJEDRO
C=CC[N@H+](Cc1ccc(Cl)s1)CC(C)(C)CCC#N	ZINC000162792492	330115827	/nfs/dbraw/zinc/11/58/27/330115827.db2.gz	NFTJXQQDQSBQAJ-UHFFFAOYSA-N	1	0	296.867	4.719	20	30		CJEDRO
N#CCC[C@@H](Nc1cc[nH+]c2ccccc12)c1ccccc1	ZINC000164280897	331191788	/nfs/dbraw/zinc/19/17/88/331191788.db2.gz	AQHROJUMGQURAS-QGZVFWFLSA-N	1	0	287.366	4.692	20	30		CJEDRO
N#CCC[C@H](Nc1cc[nH+]c2ccccc12)c1ccccc1	ZINC000164281027	331191770	/nfs/dbraw/zinc/19/17/70/331191770.db2.gz	AQHROJUMGQURAS-KRWDZBQOSA-N	1	0	287.366	4.692	20	30		CJEDRO
Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2	ZINC000166314632	331306940	/nfs/dbraw/zinc/30/69/40/331306940.db2.gz	XNLVBJGZBQXKCY-MGPUTAFESA-N	1	0	290.410	4.595	20	30		CJEDRO
Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2	ZINC000166314759	334912819	/nfs/dbraw/zinc/91/28/19/334912819.db2.gz	XNLVBJGZBQXKCY-YWZLYKJASA-N	1	0	290.410	4.595	20	30		CJEDRO
Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2	ZINC000166314891	331306928	/nfs/dbraw/zinc/30/69/28/331306928.db2.gz	XNLVBJGZBQXKCY-FOIQADDNSA-N	1	0	290.410	4.595	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc2ccccc2s1	ZINC000169189238	260920232	/nfs/dbraw/zinc/92/02/32/260920232.db2.gz	JTEDYULYYZYONH-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C	ZINC000174102221	335147948	/nfs/dbraw/zinc/14/79/48/335147948.db2.gz	QKXCPJNIFROKOH-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1C	ZINC000174102263	335148006	/nfs/dbraw/zinc/14/80/06/335148006.db2.gz	QKXCPJNIFROKOH-CVEARBPZSA-N	1	0	278.399	4.587	20	30		CJEDRO
CC(C)c1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1	ZINC000174247083	335151232	/nfs/dbraw/zinc/15/12/32/335151232.db2.gz	CZIARAMHBNHJCC-LJQANCHMSA-N	1	0	296.414	4.762	20	30		CJEDRO
CC(C)c1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)C(C)C)cc1	ZINC000174247098	335151321	/nfs/dbraw/zinc/15/13/21/335151321.db2.gz	CZIARAMHBNHJCC-IBGZPJMESA-N	1	0	296.414	4.762	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]CC(C)(C)c1ccc(Cl)cc1	ZINC000174295846	335152064	/nfs/dbraw/zinc/15/20/64/335152064.db2.gz	HZNSPQBKOQIIAT-UHFFFAOYSA-N	1	0	292.854	4.537	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]CC(C)(C)c1cccc(Cl)c1	ZINC000174323501	335152723	/nfs/dbraw/zinc/15/27/23/335152723.db2.gz	STYXWAXKRIGHFM-UHFFFAOYSA-N	1	0	292.854	4.537	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(C#N)c1	ZINC000174431499	335154793	/nfs/dbraw/zinc/15/47/93/335154793.db2.gz	DUHCCUZKZCAPIR-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccc(C#N)c1	ZINC000174431512	335154743	/nfs/dbraw/zinc/15/47/43/335154743.db2.gz	DUHCCUZKZCAPIR-OAHLLOKOSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)Cc1cccc(Cl)c1Cl	ZINC000174808972	333007764	/nfs/dbraw/zinc/00/77/64/333007764.db2.gz	ZDCIJAXPMPWESQ-UHFFFAOYSA-N	1	0	299.245	4.755	20	30		CJEDRO
CC(C)(C#N)CCC[N@H+](Cc1ccco1)Cc1ccccc1	ZINC000174809785	333007640	/nfs/dbraw/zinc/00/76/40/333007640.db2.gz	KUMHUZSTWQWDIC-UHFFFAOYSA-N	1	0	296.414	4.612	20	30		CJEDRO
CC[N@H+](CCCC(C)(C)C#N)Cc1ccc(Cl)s1	ZINC000174810471	333007815	/nfs/dbraw/zinc/00/78/15/333007815.db2.gz	AIJYVRVEJQMIDZ-UHFFFAOYSA-N	1	0	284.856	4.553	20	30		CJEDRO
C=CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Cl)s1	ZINC000174810487	333007860	/nfs/dbraw/zinc/00/78/60/333007860.db2.gz	MWFAALRYUIHTOF-UHFFFAOYSA-N	1	0	296.867	4.719	20	30		CJEDRO
CC[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000174815174	335166581	/nfs/dbraw/zinc/16/65/81/335166581.db2.gz	OOUWYDPILFTGAB-HNNXBMFYSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000174815183	335166554	/nfs/dbraw/zinc/16/65/54/335166554.db2.gz	OOUWYDPILFTGAB-OAHLLOKOSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1	ZINC000174815967	335166670	/nfs/dbraw/zinc/16/66/70/335166670.db2.gz	ZTITVXSWJMFZRP-MRXNPFEDSA-N	1	0	290.838	4.711	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1	ZINC000174815975	335166614	/nfs/dbraw/zinc/16/66/14/335166614.db2.gz	ZTITVXSWJMFZRP-INIZCTEOSA-N	1	0	290.838	4.711	20	30		CJEDRO
C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174816075	333008118	/nfs/dbraw/zinc/00/81/18/333008118.db2.gz	FWNGSFHABYAGFN-AWEZNQCLSA-N	1	0	284.403	4.756	20	30		CJEDRO
C[C@H](c1cc2ccccc2o1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174816081	333007908	/nfs/dbraw/zinc/00/79/08/333007908.db2.gz	FWNGSFHABYAGFN-CQSZACIVSA-N	1	0	284.403	4.756	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000174816785	333008073	/nfs/dbraw/zinc/00/80/73/333008073.db2.gz	BNNFDFWLCSUJCV-MRXNPFEDSA-N	1	0	290.838	4.807	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1	ZINC000174816792	333007881	/nfs/dbraw/zinc/00/78/81/333007881.db2.gz	BNNFDFWLCSUJCV-INIZCTEOSA-N	1	0	290.838	4.807	20	30		CJEDRO
C[C@@H](C1CC1)[N@H+](CCCC(C)(C)C#N)Cc1ccccc1	ZINC000174819071	333008037	/nfs/dbraw/zinc/00/80/37/333008037.db2.gz	IZKJRFIDWKDCED-INIZCTEOSA-N	1	0	284.447	4.617	20	30		CJEDRO
C[C@H](C1CC1)[N@H+](CCCC(C)(C)C#N)Cc1ccccc1	ZINC000174819081	333007994	/nfs/dbraw/zinc/00/79/94/333007994.db2.gz	IZKJRFIDWKDCED-MRXNPFEDSA-N	1	0	284.447	4.617	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)Cc1csc2ccccc12	ZINC000174821005	333007886	/nfs/dbraw/zinc/00/78/86/333007886.db2.gz	PSKAFOBBEZNSRT-UHFFFAOYSA-N	1	0	286.444	4.663	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)Cc1cccc2ccccc21	ZINC000174822229	333008022	/nfs/dbraw/zinc/00/80/22/333008022.db2.gz	LZYHWVCWBXNNRQ-UHFFFAOYSA-N	1	0	280.415	4.602	20	30		CJEDRO
CC(C)(C#N)CCC[N@H+](Cc1ccc(Cl)cc1)C1CC1	ZINC000174823016	333008216	/nfs/dbraw/zinc/00/82/16/333008216.db2.gz	MCQGVGZZOIQSHJ-UHFFFAOYSA-N	1	0	290.838	4.634	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1	ZINC000174823124	333008323	/nfs/dbraw/zinc/00/83/23/333008323.db2.gz	BOFCCISTHHOWCR-MRXNPFEDSA-N	1	0	290.838	4.807	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1	ZINC000174823133	333008302	/nfs/dbraw/zinc/00/83/02/333008302.db2.gz	BOFCCISTHHOWCR-INIZCTEOSA-N	1	0	290.838	4.807	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl	ZINC000174830123	333008354	/nfs/dbraw/zinc/00/83/54/333008354.db2.gz	ZWPQAUKGUHHQKN-MRXNPFEDSA-N	1	0	290.838	4.807	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1	ZINC000174831193	333008388	/nfs/dbraw/zinc/00/83/88/333008388.db2.gz	ITCUBPQBBDLCSS-MRXNPFEDSA-N	1	0	272.436	4.693	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1	ZINC000174831201	333008417	/nfs/dbraw/zinc/00/84/17/333008417.db2.gz	ITCUBPQBBDLCSS-INIZCTEOSA-N	1	0	272.436	4.693	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)cc1	ZINC000174832407	333008261	/nfs/dbraw/zinc/00/82/61/333008261.db2.gz	ODZXVUQCPMAVIU-MRXNPFEDSA-N	1	0	290.426	4.832	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)cc1	ZINC000174832417	333008181	/nfs/dbraw/zinc/00/81/81/333008181.db2.gz	ODZXVUQCPMAVIU-INIZCTEOSA-N	1	0	290.426	4.832	20	30		CJEDRO
Cc1ccc(C[N@@H+](CCCC(C)(C)C#N)C(C)C)s1	ZINC000174833426	333008681	/nfs/dbraw/zinc/00/86/81/333008681.db2.gz	YBUJUFDSPUEBOD-UHFFFAOYSA-N	1	0	278.465	4.597	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)CCc1cccc2ccccc21	ZINC000174839977	333008633	/nfs/dbraw/zinc/00/86/33/333008633.db2.gz	CTOKRRPLAUALIN-UHFFFAOYSA-N	1	0	294.442	4.644	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+]C1(c2ccc(F)cc2)CCCC1	ZINC000174846175	333008792	/nfs/dbraw/zinc/00/87/92/333008792.db2.gz	TXVRQRURJWWOAT-UHFFFAOYSA-N	1	0	288.410	4.515	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1	ZINC000174847418	333008886	/nfs/dbraw/zinc/00/88/86/333008886.db2.gz	ZMHICBMXMVUPDQ-QGZVFWFLSA-N	1	0	288.410	4.586	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](c1ccc(F)cc1)C1CCC1	ZINC000174847427	333008868	/nfs/dbraw/zinc/00/88/68/333008868.db2.gz	ZMHICBMXMVUPDQ-KRWDZBQOSA-N	1	0	288.410	4.586	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1	ZINC000174847560	335167413	/nfs/dbraw/zinc/16/74/13/335167413.db2.gz	HVIVMTYQRWCNMN-UHFFFAOYSA-N	1	0	290.838	4.639	20	30		CJEDRO
Cc1ccccc1C1CC[NH+](CCCC(C)(C)C#N)CC1	ZINC000174852164	335167442	/nfs/dbraw/zinc/16/74/42/335167442.db2.gz	WYLXDTXGZSYAQQ-UHFFFAOYSA-N	1	0	284.447	4.504	20	30		CJEDRO
CC(C)[C@@H](c1ccccc1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174859510	333009457	/nfs/dbraw/zinc/00/94/57/333009457.db2.gz	AKPYJXPBJPFQJT-KRWDZBQOSA-N	1	0	272.436	4.645	20	30		CJEDRO
CC(C)[C@H](c1ccccc1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174859522	333009463	/nfs/dbraw/zinc/00/94/63/333009463.db2.gz	AKPYJXPBJPFQJT-QGZVFWFLSA-N	1	0	272.436	4.645	20	30		CJEDRO
C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174868908	333009532	/nfs/dbraw/zinc/00/95/32/333009532.db2.gz	YBNAJURGIWIXHS-AWEZNQCLSA-N	1	0	292.854	4.533	20	30		CJEDRO
C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCC(C)(C)C#N	ZINC000174868922	333009668	/nfs/dbraw/zinc/00/96/68/333009668.db2.gz	YBNAJURGIWIXHS-CQSZACIVSA-N	1	0	292.854	4.533	20	30		CJEDRO
Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1	ZINC000174869420	333009527	/nfs/dbraw/zinc/00/95/27/333009527.db2.gz	ZKXJLZHSYOMDRB-DLBZAZTESA-N	1	0	284.447	4.503	20	30		CJEDRO
Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1	ZINC000174869429	333009719	/nfs/dbraw/zinc/00/97/19/333009719.db2.gz	ZKXJLZHSYOMDRB-IRXDYDNUSA-N	1	0	284.447	4.503	20	30		CJEDRO
Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1	ZINC000174869440	333009480	/nfs/dbraw/zinc/00/94/80/333009480.db2.gz	ZKXJLZHSYOMDRB-IAGOWNOFSA-N	1	0	284.447	4.503	20	30		CJEDRO
Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C1	ZINC000174869451	333009680	/nfs/dbraw/zinc/00/96/80/333009680.db2.gz	ZKXJLZHSYOMDRB-SJORKVTESA-N	1	0	284.447	4.503	20	30		CJEDRO
C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@@H]1c1cccc(F)c1	ZINC000175150570	333015917	/nfs/dbraw/zinc/01/59/17/333015917.db2.gz	VBTFZAUSKGGUFD-PBHICJAKSA-N	1	0	288.410	4.539	20	30		CJEDRO
C[C@H]1CC[N@H+](CCCC(C)(C)C#N)[C@@H]1c1cccc(F)c1	ZINC000175150583	333015766	/nfs/dbraw/zinc/01/57/66/333015766.db2.gz	VBTFZAUSKGGUFD-YOEHRIQHSA-N	1	0	288.410	4.539	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C	ZINC000175986749	335226360	/nfs/dbraw/zinc/22/63/60/335226360.db2.gz	STBKJMFBUCFRDZ-KRWDZBQOSA-N	1	0	298.455	4.805	20	30		CJEDRO
Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C#N)s1	ZINC000176950863	333050881	/nfs/dbraw/zinc/05/08/81/333050881.db2.gz	ODIOGLLSGHJRRD-GFCCVEGCSA-N	1	0	296.395	4.525	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C#N)s1	ZINC000176950873	333050942	/nfs/dbraw/zinc/05/09/42/333050942.db2.gz	ODIOGLLSGHJRRD-LBPRGKRZSA-N	1	0	296.395	4.525	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)s1	ZINC000176957964	335345124	/nfs/dbraw/zinc/34/51/24/335345124.db2.gz	WLTOCHTZFHHJLV-SFHVURJKSA-N	1	0	296.439	4.641	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)s1	ZINC000176957974	335345036	/nfs/dbraw/zinc/34/50/36/335345036.db2.gz	WLTOCHTZFHHJLV-GOSISDBHSA-N	1	0	296.439	4.641	20	30		CJEDRO
CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000176963424	335348102	/nfs/dbraw/zinc/34/81/02/335348102.db2.gz	UOZRCSDZMXINNZ-KRWDZBQOSA-N	1	0	296.439	4.522	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000176964017	335348237	/nfs/dbraw/zinc/34/82/37/335348237.db2.gz	UOZRCSDZMXINNZ-QGZVFWFLSA-N	1	0	296.439	4.522	20	30		CJEDRO
Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cc(C#N)cs1	ZINC000177686993	333061863	/nfs/dbraw/zinc/06/18/63/333061863.db2.gz	BJIDUMDIQZXRRM-GFCCVEGCSA-N	1	0	296.395	4.525	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cc(C#N)cs1	ZINC000177687007	333061838	/nfs/dbraw/zinc/06/18/38/333061838.db2.gz	BJIDUMDIQZXRRM-LBPRGKRZSA-N	1	0	296.395	4.525	20	30		CJEDRO
N#Cc1csc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1	ZINC000177692420	335379221	/nfs/dbraw/zinc/37/92/21/335379221.db2.gz	LADPJQNFBDJZTE-SFHVURJKSA-N	1	0	296.439	4.641	20	30		CJEDRO
N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2CCCC2)c1	ZINC000177692430	335379170	/nfs/dbraw/zinc/37/91/70/335379170.db2.gz	LADPJQNFBDJZTE-GOSISDBHSA-N	1	0	296.439	4.641	20	30		CJEDRO
CC1(C)CC[C@H]([NH2+]Cc2cc(C#N)cs2)c2ccccc21	ZINC000177696752	335379812	/nfs/dbraw/zinc/37/98/12/335379812.db2.gz	QYOHXRJNYHOVQP-KRWDZBQOSA-N	1	0	296.439	4.522	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccccc21	ZINC000177696765	335379727	/nfs/dbraw/zinc/37/97/27/335379727.db2.gz	QYOHXRJNYHOVQP-QGZVFWFLSA-N	1	0	296.439	4.522	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1C	ZINC000178176511	335421146	/nfs/dbraw/zinc/42/11/46/335421146.db2.gz	KYJVLKKBCDVTOK-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc(C#N)c1	ZINC000178177502	333068951	/nfs/dbraw/zinc/06/89/51/333068951.db2.gz	JZFFXCVRQXCBOJ-KPZWWZAWSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCc2c1cccc2Cl)c1cccc(C#N)c1	ZINC000178177516	333068983	/nfs/dbraw/zinc/06/89/83/333068983.db2.gz	JZFFXCVRQXCBOJ-KZULUSFZSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1cccc(C#N)c1	ZINC000178177526	333068930	/nfs/dbraw/zinc/06/89/30/333068930.db2.gz	JZFFXCVRQXCBOJ-SGTLLEGYSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCc2c1cccc2Cl)c1cccc(C#N)c1	ZINC000178177541	333069137	/nfs/dbraw/zinc/06/91/37/333069137.db2.gz	JZFFXCVRQXCBOJ-XIKOKIGWSA-N	1	0	296.801	4.550	20	30		CJEDRO
Cc1cccc([C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C)c1	ZINC000178614219	335441300	/nfs/dbraw/zinc/44/13/00/335441300.db2.gz	PZZRBPPAOVPLCA-KRWDZBQOSA-N	1	0	298.455	4.805	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(F)c1	ZINC000178614510	335441158	/nfs/dbraw/zinc/44/11/58/335441158.db2.gz	PIDXWYFAKUGRMM-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(F)c1	ZINC000178614953	335441169	/nfs/dbraw/zinc/44/11/69/335441169.db2.gz	XMSBPMZEWHXIDY-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
C[C@H]([NH2+]CCCCC#N)c1cccc(-c2ccccc2)c1	ZINC000178640546	333076312	/nfs/dbraw/zinc/07/63/12/333076312.db2.gz	WSSBFDXLOOICHP-INIZCTEOSA-N	1	0	278.399	4.698	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC#N)c1cccc(-c2ccccc2)c1	ZINC000178640566	333076223	/nfs/dbraw/zinc/07/62/23/333076223.db2.gz	WSSBFDXLOOICHP-MRXNPFEDSA-N	1	0	278.399	4.698	20	30		CJEDRO
C[C@H]([NH2+]CCCCC#N)c1ccc(-c2cccs2)cc1	ZINC000178641404	333076242	/nfs/dbraw/zinc/07/62/42/333076242.db2.gz	FJWRXVZXBLNMPC-AWEZNQCLSA-N	1	0	284.428	4.760	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC#N)c1ccc(-c2cccs2)cc1	ZINC000178641417	333076304	/nfs/dbraw/zinc/07/63/04/333076304.db2.gz	FJWRXVZXBLNMPC-CQSZACIVSA-N	1	0	284.428	4.760	20	30		CJEDRO
CC[C@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000178642719	329201523	/nfs/dbraw/zinc/20/15/23/329201523.db2.gz	AGOLYRQMHWAANS-AWEZNQCLSA-N	1	0	285.218	4.728	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000178642732	329201582	/nfs/dbraw/zinc/20/15/82/329201582.db2.gz	AGOLYRQMHWAANS-CQSZACIVSA-N	1	0	285.218	4.728	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1	ZINC000178643594	261401308	/nfs/dbraw/zinc/40/13/08/261401308.db2.gz	YNVSSALKZASIGG-SIFCLUCFSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)c1ccc(C#N)cc1	ZINC000178643763	335442977	/nfs/dbraw/zinc/44/29/77/335442977.db2.gz	HSLCTCKATFTYPO-KUHUBIRLSA-N	1	0	290.410	4.631	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC#N)c1ccc2cc(OC)ccc2c1	ZINC000178644309	261754261	/nfs/dbraw/zinc/75/42/61/261754261.db2.gz	CABYFZQFVJUOGB-LJQANCHMSA-N	1	0	296.414	4.583	20	30		CJEDRO
N#CCCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1	ZINC000178646769	335442986	/nfs/dbraw/zinc/44/29/86/335442986.db2.gz	BVVSDQNDVAQDEF-HXUWFJFHSA-N	1	0	292.426	4.644	20	30		CJEDRO
N#CCCCC[NH2+][C@@H]1CCCSc2ccc(Cl)cc21	ZINC000178646973	327795425	/nfs/dbraw/zinc/79/54/25/327795425.db2.gz	LBGQYUJTMSKMCQ-CQSZACIVSA-N	1	0	294.851	4.550	20	30		CJEDRO
CC[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1Cl	ZINC000178647083	329201544	/nfs/dbraw/zinc/20/15/44/329201544.db2.gz	FXFXUQOXAXECAJ-AWEZNQCLSA-N	1	0	285.218	4.728	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1Cl	ZINC000178647097	329201570	/nfs/dbraw/zinc/20/15/70/329201570.db2.gz	FXFXUQOXAXECAJ-CQSZACIVSA-N	1	0	285.218	4.728	20	30		CJEDRO
CCC[C@H]([NH2+]CCCCC#N)c1cccc(C(F)(F)F)c1	ZINC000178648008	335443275	/nfs/dbraw/zinc/44/32/75/335443275.db2.gz	CSKBWHSCIRDEKM-HNNXBMFYSA-N	1	0	298.352	4.830	20	30		CJEDRO
CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCCCC#N	ZINC000178648099	333076237	/nfs/dbraw/zinc/07/62/37/333076237.db2.gz	XLNIRURTWAZYLM-QGZVFWFLSA-N	1	0	292.854	4.581	20	30		CJEDRO
CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCCCC#N	ZINC000178648112	333076196	/nfs/dbraw/zinc/07/61/96/333076196.db2.gz	XLNIRURTWAZYLM-KRWDZBQOSA-N	1	0	292.854	4.581	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1	ZINC000178650356	335443314	/nfs/dbraw/zinc/44/33/14/335443314.db2.gz	BAGNUCKYHMIUBS-MRXNPFEDSA-N	1	0	278.827	4.711	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1nc(C)c(C)s1)c1ccccc1	ZINC000178761589	329202327	/nfs/dbraw/zinc/20/23/27/329202327.db2.gz	WFCODIBPTAWCIP-INIZCTEOSA-N	1	0	286.444	4.557	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1nc(C)c(C)s1)c1ccccc1	ZINC000178761599	329202293	/nfs/dbraw/zinc/20/22/93/329202293.db2.gz	WFCODIBPTAWCIP-MRXNPFEDSA-N	1	0	286.444	4.557	20	30		CJEDRO
Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2	ZINC000178960275	333078692	/nfs/dbraw/zinc/07/86/92/333078692.db2.gz	HKWMCCGUXPSRPD-YWZLYKJASA-N	1	0	290.410	4.595	20	30		CJEDRO
Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2	ZINC000178960283	327738736	/nfs/dbraw/zinc/73/87/36/327738736.db2.gz	HKWMCCGUXPSRPD-FOIQADDNSA-N	1	0	290.410	4.595	20	30		CJEDRO
Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2	ZINC000178960294	333078680	/nfs/dbraw/zinc/07/86/80/333078680.db2.gz	HKWMCCGUXPSRPD-QRWLVFNGSA-N	1	0	290.410	4.595	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccccc1C#N)c1cc2ccccc2s1	ZINC000179085532	335472764	/nfs/dbraw/zinc/47/27/64/335472764.db2.gz	HAMDLKIBSCQUST-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccccc1C#N)c1cc2ccccc2s1	ZINC000179085540	335472756	/nfs/dbraw/zinc/47/27/56/335472756.db2.gz	HAMDLKIBSCQUST-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
Cc1ccccc1C1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000179458864	326830635	/nfs/dbraw/zinc/83/06/35/326830635.db2.gz	PPFFAFKLJWWPHH-UHFFFAOYSA-N	1	0	284.447	4.504	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]CCCCC#N)c1ccc(F)cc1	ZINC000179805361	335521314	/nfs/dbraw/zinc/52/13/14/335521314.db2.gz	LTGQBAVHCBDKQO-INIZCTEOSA-N	1	0	276.399	4.586	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1	ZINC000179805376	335521244	/nfs/dbraw/zinc/52/12/44/335521244.db2.gz	LTGQBAVHCBDKQO-MRXNPFEDSA-N	1	0	276.399	4.586	20	30		CJEDRO
C[N@H+](Cc1csc2ccccc12)CC(C)(C)CCC#N	ZINC000179989937	260086024	/nfs/dbraw/zinc/08/60/24/260086024.db2.gz	GWUXVMVARNKYPC-UHFFFAOYSA-N	1	0	286.444	4.663	20	30		CJEDRO
CC[C@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)c1ccccc1	ZINC000180009452	335540576	/nfs/dbraw/zinc/54/05/76/335540576.db2.gz	FYFVZQPDVHDTHH-KRWDZBQOSA-N	1	0	286.463	4.662	20	30		CJEDRO
CC[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)c1ccccc1	ZINC000180009469	335540645	/nfs/dbraw/zinc/54/06/45/335540645.db2.gz	FYFVZQPDVHDTHH-QGZVFWFLSA-N	1	0	286.463	4.662	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1	ZINC000180037940	335543921	/nfs/dbraw/zinc/54/39/21/335543921.db2.gz	LLQALZLTQMPFLN-KRWDZBQOSA-N	1	0	270.420	4.613	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1	ZINC000180037954	335543937	/nfs/dbraw/zinc/54/39/37/335543937.db2.gz	LLQALZLTQMPFLN-QGZVFWFLSA-N	1	0	270.420	4.613	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccncc1Cl)c1ccccc1	ZINC000180046463	335544908	/nfs/dbraw/zinc/54/49/08/335544908.db2.gz	BEMWSCBKMUWJKX-QGZVFWFLSA-N	1	0	286.806	4.532	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1	ZINC000180050825	264395088	/nfs/dbraw/zinc/39/50/88/264395088.db2.gz	RNSQZTLFIYXFKB-AWEZNQCLSA-N	1	0	292.835	4.594	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cnc(Cl)s1)c1ccccc1	ZINC000180050840	264395162	/nfs/dbraw/zinc/39/51/62/264395162.db2.gz	RNSQZTLFIYXFKB-CQSZACIVSA-N	1	0	292.835	4.594	20	30		CJEDRO
CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000180149494	260094844	/nfs/dbraw/zinc/09/48/44/260094844.db2.gz	MYHYKZXYSXLKSK-MRXNPFEDSA-N	1	0	290.838	4.807	20	30		CJEDRO
CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1	ZINC000180149518	260094738	/nfs/dbraw/zinc/09/47/38/260094738.db2.gz	MYHYKZXYSXLKSK-INIZCTEOSA-N	1	0	290.838	4.807	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)s1	ZINC000180370341	326850135	/nfs/dbraw/zinc/85/01/35/326850135.db2.gz	UGNUZTSSENGNLD-SFHVURJKSA-N	1	0	296.439	4.641	20	30		CJEDRO
N#Cc1csc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1	ZINC000180370625	326850255	/nfs/dbraw/zinc/85/02/55/326850255.db2.gz	IMNFIEJWEJNUEB-GOSISDBHSA-N	1	0	296.439	4.641	20	30		CJEDRO
N#Cc1csc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1	ZINC000180370642	518196782	/nfs/dbraw/zinc/19/67/82/518196782.db2.gz	IMNFIEJWEJNUEB-SFHVURJKSA-N	1	0	296.439	4.641	20	30		CJEDRO
Cc1ccc(C)c([C@H]([NH2+]CCCCC#N)c2ccccc2)c1	ZINC000180428782	260102083	/nfs/dbraw/zinc/10/20/83/260102083.db2.gz	VSZHRTHWGKYNCM-HXUWFJFHSA-N	1	0	292.426	4.676	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1F	ZINC000180986240	329224619	/nfs/dbraw/zinc/22/46/19/329224619.db2.gz	DODOJKLIZYXYFF-OALUTQOASA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1F	ZINC000180986258	329224735	/nfs/dbraw/zinc/22/47/35/329224735.db2.gz	DODOJKLIZYXYFF-MOPGFXCFSA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1F	ZINC000180986276	329224685	/nfs/dbraw/zinc/22/46/85/329224685.db2.gz	DODOJKLIZYXYFF-RBUKOAKNSA-N	1	0	296.389	4.911	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1F	ZINC000180986297	329224663	/nfs/dbraw/zinc/22/46/63/329224663.db2.gz	DODOJKLIZYXYFF-RTBURBONSA-N	1	0	296.389	4.911	20	30		CJEDRO
Cc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)ccc1Cl	ZINC000181032170	329225211	/nfs/dbraw/zinc/22/52/11/329225211.db2.gz	BFGCLPMXVWBYPY-SFHVURJKSA-N	1	0	298.817	4.783	20	30		CJEDRO
Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)ccc1Cl	ZINC000181032186	329225195	/nfs/dbraw/zinc/22/51/95/329225195.db2.gz	BFGCLPMXVWBYPY-GOSISDBHSA-N	1	0	298.817	4.783	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(F)c1	ZINC000181058480	335749189	/nfs/dbraw/zinc/74/91/89/335749189.db2.gz	AJRPXHBBZHPBDQ-MRXNPFEDSA-N	1	0	290.426	4.832	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(F)c1	ZINC000181058500	335749151	/nfs/dbraw/zinc/74/91/51/335749151.db2.gz	AJRPXHBBZHPBDQ-INIZCTEOSA-N	1	0	290.426	4.832	20	30		CJEDRO
N#Cc1cccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1	ZINC000181472008	335763124	/nfs/dbraw/zinc/76/31/24/335763124.db2.gz	VZMNMPFMPWPZQG-HXUWFJFHSA-N	1	0	290.410	4.579	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1	ZINC000181507816	335765384	/nfs/dbraw/zinc/76/53/84/335765384.db2.gz	BWQXCRAFPVOPPB-YOEHRIQHSA-N	1	0	255.361	4.638	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccccc1	ZINC000181507834	335765293	/nfs/dbraw/zinc/76/52/93/335765293.db2.gz	BWQXCRAFPVOPPB-PBHICJAKSA-N	1	0	255.361	4.638	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccccc1	ZINC000181507854	335765433	/nfs/dbraw/zinc/76/54/33/335765433.db2.gz	BWQXCRAFPVOPPB-WMLDXEAASA-N	1	0	255.361	4.638	20	30		CJEDRO
N#Cc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)cc1	ZINC000181520325	335766609	/nfs/dbraw/zinc/76/66/09/335766609.db2.gz	KNFZNGCBQMMOHI-HXUWFJFHSA-N	1	0	290.410	4.579	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc2ccccc21	ZINC000181652231	335776494	/nfs/dbraw/zinc/77/64/94/335776494.db2.gz	CTJTXRCISSZZCL-HNNXBMFYSA-N	1	0	280.415	4.820	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc2ccccc21	ZINC000181652251	335776492	/nfs/dbraw/zinc/77/64/92/335776492.db2.gz	CTJTXRCISSZZCL-OAHLLOKOSA-N	1	0	280.415	4.820	20	30		CJEDRO
CCC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)cc1F	ZINC000181662239	335777075	/nfs/dbraw/zinc/77/70/75/335777075.db2.gz	AUJGZJCCIYLTCW-MRXNPFEDSA-N	1	0	294.389	4.726	20	30		CJEDRO
C[C@H]([NH2+]CCCCC#N)c1cc2c(ccc3ccccc23)o1	ZINC000181683047	335778396	/nfs/dbraw/zinc/77/83/96/335778396.db2.gz	ONXBQEIOUYYALB-AWEZNQCLSA-N	1	0	292.382	4.930	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC#N)c1cc2c(ccc3ccccc23)o1	ZINC000181683068	335778385	/nfs/dbraw/zinc/77/83/85/335778385.db2.gz	ONXBQEIOUYYALB-CQSZACIVSA-N	1	0	292.382	4.930	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)c1cccc(C#N)c1	ZINC000181685351	335778525	/nfs/dbraw/zinc/77/85/25/335778525.db2.gz	COSIDSFSVMURBM-QRWLVFNGSA-N	1	0	290.410	4.750	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000182043449	335795985	/nfs/dbraw/zinc/79/59/85/335795985.db2.gz	YMMCMJRJCRRZOS-OXQOHEQNSA-N	1	0	290.410	4.916	20	30		CJEDRO
C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1	ZINC000182090066	335798359	/nfs/dbraw/zinc/79/83/59/335798359.db2.gz	VGDZEJBCPIMWPF-QEEYODRMSA-N	1	0	290.410	4.532	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1C)c1ccc(C#N)cc1	ZINC000182090098	335798353	/nfs/dbraw/zinc/79/83/53/335798353.db2.gz	VGDZEJBCPIMWPF-SIFCLUCFSA-N	1	0	290.410	4.532	20	30		CJEDRO
C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1C)c1cccc(C#N)c1	ZINC000182090136	335798447	/nfs/dbraw/zinc/79/84/47/335798447.db2.gz	GJNCCFJFDCSLTA-QEEYODRMSA-N	1	0	290.410	4.532	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1C)c1cccc(C#N)c1	ZINC000182090190	335798500	/nfs/dbraw/zinc/79/85/00/335798500.db2.gz	GJNCCFJFDCSLTA-AVYPCKFXSA-N	1	0	290.410	4.532	20	30		CJEDRO
C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1	ZINC000182256731	261931242	/nfs/dbraw/zinc/93/12/42/261931242.db2.gz	ADVBDFFZLCLYRE-CYBMUJFWSA-N	1	0	296.801	4.552	20	30		CJEDRO
C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1	ZINC000182257277	335806594	/nfs/dbraw/zinc/80/65/94/335806594.db2.gz	AGWLTVWHQNRIIP-ZDUSSCGKSA-N	1	0	296.801	4.552	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1	ZINC000182344277	335812074	/nfs/dbraw/zinc/81/20/74/335812074.db2.gz	BAMILVUCPMIUSN-MRXNPFEDSA-N	1	0	292.426	4.647	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1	ZINC000182344295	335811895	/nfs/dbraw/zinc/81/18/95/335811895.db2.gz	BAMILVUCPMIUSN-INIZCTEOSA-N	1	0	292.426	4.647	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)C	ZINC000183205909	335879128	/nfs/dbraw/zinc/87/91/28/335879128.db2.gz	PGIADVLEFNZSEF-KRWDZBQOSA-N	1	0	272.436	4.612	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H]([NH2+]CCCCC#N)C(C)C	ZINC000183269105	335883953	/nfs/dbraw/zinc/88/39/53/335883953.db2.gz	DUMNGHJXRGHLRL-QGZVFWFLSA-N	1	0	284.403	4.722	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCC(C)(C)C#N	ZINC000183536700	333121055	/nfs/dbraw/zinc/12/10/55/333121055.db2.gz	JPKNLNJVIXXVOX-AWEZNQCLSA-N	1	0	284.403	4.722	20	30		CJEDRO
Cc1ccccc1C([NH2+]CCCCC#N)c1ccccc1C	ZINC000183942625	335913421	/nfs/dbraw/zinc/91/34/21/335913421.db2.gz	HVEYJXTUKKYEHP-UHFFFAOYSA-N	1	0	292.426	4.676	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cc2ccccc2s1	ZINC000184354374	335924155	/nfs/dbraw/zinc/92/41/55/335924155.db2.gz	QVYGKLAAIOIOJZ-CYBMUJFWSA-N	1	0	286.444	4.882	20	30		CJEDRO
C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)c2ccccc21	ZINC000185379127	333139667	/nfs/dbraw/zinc/13/96/67/333139667.db2.gz	RQNBVYSTTXUILD-ZDUSSCGKSA-N	1	0	286.806	4.838	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)c2ccccc21	ZINC000185379141	333139641	/nfs/dbraw/zinc/13/96/41/333139641.db2.gz	RQNBVYSTTXUILD-CYBMUJFWSA-N	1	0	286.806	4.838	20	30		CJEDRO
CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1	ZINC000185818984	333149673	/nfs/dbraw/zinc/14/96/73/333149673.db2.gz	CNUHGJYXIQSFLB-OFQRWUPVSA-N	1	0	288.460	4.532	20	30		CJEDRO
CCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cc1	ZINC000185819023	333149626	/nfs/dbraw/zinc/14/96/26/333149626.db2.gz	CNUHGJYXIQSFLB-DZKIICNBSA-N	1	0	288.460	4.532	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccc(F)c(F)c1	ZINC000186450566	333161127	/nfs/dbraw/zinc/16/11/27/333161127.db2.gz	ANCPWUMHDZRQRH-MEDUHNTESA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccsc1)c1ccc(F)c(F)c1	ZINC000186450582	333161238	/nfs/dbraw/zinc/16/12/38/333161238.db2.gz	ANCPWUMHDZRQRH-BDJLRTHQSA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccsc1)c1ccc(F)c(F)c1	ZINC000186450596	333161094	/nfs/dbraw/zinc/16/10/94/333161094.db2.gz	ANCPWUMHDZRQRH-ZBEGNZNMSA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@H](C)c1ccsc1)c1ccc(F)c(F)c1	ZINC000186450613	333161083	/nfs/dbraw/zinc/16/10/83/333161083.db2.gz	ANCPWUMHDZRQRH-BZNIZROVSA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)c(F)c1	ZINC000186453117	333161121	/nfs/dbraw/zinc/16/11/21/333161121.db2.gz	JPKPFBLYMLFRPD-MEDUHNTESA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@H](C)c1cccs1)c1ccc(F)c(F)c1	ZINC000186453133	333161196	/nfs/dbraw/zinc/16/11/96/333161196.db2.gz	JPKPFBLYMLFRPD-BDJLRTHQSA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)c(F)c1	ZINC000186453148	333161451	/nfs/dbraw/zinc/16/14/51/333161451.db2.gz	JPKPFBLYMLFRPD-ZBEGNZNMSA-N	1	0	293.382	4.994	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@H](C)c1cccs1)c1ccc(F)c(F)c1	ZINC000186453159	333161462	/nfs/dbraw/zinc/16/14/62/333161462.db2.gz	JPKPFBLYMLFRPD-BZNIZROVSA-N	1	0	293.382	4.994	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1cc(Cl)ccc1Cl	ZINC000186756963	262323111	/nfs/dbraw/zinc/32/31/11/262323111.db2.gz	JPDGKVDWZZBUCC-NSHDSACASA-N	1	0	299.245	4.974	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+]C(C)(C)c1cccc(Cl)c1F	ZINC000186887628	262113938	/nfs/dbraw/zinc/11/39/38/262113938.db2.gz	PJYYWFAJUHGCNY-UHFFFAOYSA-N	1	0	296.817	4.634	20	30		CJEDRO
C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccsc2)CC1	ZINC000186912280	333166515	/nfs/dbraw/zinc/16/65/15/333166515.db2.gz	CBBJTGZVKXJKEB-AWEZNQCLSA-N	1	0	296.439	4.560	20	30		CJEDRO
C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccsc2)CC1	ZINC000186912296	333166478	/nfs/dbraw/zinc/16/64/78/333166478.db2.gz	CBBJTGZVKXJKEB-CQSZACIVSA-N	1	0	296.439	4.560	20	30		CJEDRO
C=C(C)[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)c(F)c1	ZINC000187372509	333169792	/nfs/dbraw/zinc/16/97/92/333169792.db2.gz	VZTNYRPGCNFSKY-KRWDZBQOSA-N	1	0	291.316	4.511	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)c(F)c1	ZINC000187372528	333169716	/nfs/dbraw/zinc/16/97/16/333169716.db2.gz	VZTNYRPGCNFSKY-QGZVFWFLSA-N	1	0	291.316	4.511	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1sccc1C)c1ccc(F)c(F)c1	ZINC000187374029	260139275	/nfs/dbraw/zinc/13/92/75/260139275.db2.gz	NNFFVOIAEHOBEJ-MRXNPFEDSA-N	1	0	293.382	4.742	20	30		CJEDRO
C=C(C)[C@H]([NH2+]Cc1sccc1C)c1ccc(F)c(F)c1	ZINC000187374049	333169956	/nfs/dbraw/zinc/16/99/56/333169956.db2.gz	NNFFVOIAEHOBEJ-INIZCTEOSA-N	1	0	293.382	4.742	20	30		CJEDRO
C=C(C)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)c(F)c1	ZINC000187374803	333170059	/nfs/dbraw/zinc/17/00/59/333170059.db2.gz	YMCHPNIYTAUASB-KRWDZBQOSA-N	1	0	291.316	4.511	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)c(F)c1	ZINC000187374824	333170020	/nfs/dbraw/zinc/17/00/20/333170020.db2.gz	YMCHPNIYTAUASB-QGZVFWFLSA-N	1	0	291.316	4.511	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1ccc(C)s1)c1ccc(F)c(F)c1	ZINC000187374930	333170065	/nfs/dbraw/zinc/17/00/65/333170065.db2.gz	IOSGYXFSMYSUJO-MRXNPFEDSA-N	1	0	293.382	4.742	20	30		CJEDRO
C=C(C)[C@H]([NH2+]Cc1ccc(C)s1)c1ccc(F)c(F)c1	ZINC000187374945	333169928	/nfs/dbraw/zinc/16/99/28/333169928.db2.gz	IOSGYXFSMYSUJO-INIZCTEOSA-N	1	0	293.382	4.742	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccs1	ZINC000187484867	333171647	/nfs/dbraw/zinc/17/16/47/333171647.db2.gz	MCELTIHACUHNKP-AWEZNQCLSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccs1	ZINC000187484886	333171589	/nfs/dbraw/zinc/17/15/89/333171589.db2.gz	MCELTIHACUHNKP-CQSZACIVSA-N	1	0	290.819	4.514	20	30		CJEDRO
C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccsc2)CC1	ZINC000187729567	263267478	/nfs/dbraw/zinc/26/74/78/263267478.db2.gz	HIZVJEQOQPVNMH-AWEZNQCLSA-N	1	0	296.439	4.560	20	30		CJEDRO
C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccsc2)CC1	ZINC000187729589	263267278	/nfs/dbraw/zinc/26/72/78/263267278.db2.gz	HIZVJEQOQPVNMH-CQSZACIVSA-N	1	0	296.439	4.560	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)c(F)c1	ZINC000187788744	327860257	/nfs/dbraw/zinc/86/02/57/327860257.db2.gz	RNYLNGWOWFFURC-MRXNPFEDSA-N	1	0	292.373	4.502	20	30		CJEDRO
CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)cs1)CC2	ZINC000189618159	333196793	/nfs/dbraw/zinc/19/67/93/333196793.db2.gz	PUFKYHJPNHYFHO-GOSISDBHSA-N	1	0	296.439	4.520	20	30		CJEDRO
CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C#N)cs1)CC2	ZINC000189618176	333196740	/nfs/dbraw/zinc/19/67/40/333196740.db2.gz	PUFKYHJPNHYFHO-SFHVURJKSA-N	1	0	296.439	4.520	20	30		CJEDRO
C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000189754725	264322005	/nfs/dbraw/zinc/32/20/05/264322005.db2.gz	BXNZPGJARKZCPG-XJKSGUPXSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000189754745	264321562	/nfs/dbraw/zinc/32/15/62/264321562.db2.gz	BXNZPGJARKZCPG-CZUORRHYSA-N	1	0	282.412	4.518	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1	ZINC000192080107	333229269	/nfs/dbraw/zinc/22/92/69/333229269.db2.gz	PHOITWPAGPSAKQ-CQSZACIVSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1	ZINC000192080113	333229277	/nfs/dbraw/zinc/22/92/77/333229277.db2.gz	PHOITWPAGPSAKQ-AWEZNQCLSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1	ZINC000192088464	333229414	/nfs/dbraw/zinc/22/94/14/333229414.db2.gz	WCUIMWVIUBWVAF-GOSISDBHSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1	ZINC000192088470	333229295	/nfs/dbraw/zinc/22/92/95/333229295.db2.gz	WCUIMWVIUBWVAF-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
N#CCCCC[NH2+]CCCCc1ccc(Cl)c(Cl)c1	ZINC000192548813	333236401	/nfs/dbraw/zinc/23/64/01/333236401.db2.gz	QSQQJFIZQXLCEC-UHFFFAOYSA-N	1	0	299.245	4.600	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc2ccccc21	ZINC000192599382	533985113	/nfs/dbraw/zinc/98/51/13/533985113.db2.gz	WLDQBHBTQSJJEZ-YQQAZPJKSA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc2ccccc21	ZINC000192599412	534000730	/nfs/dbraw/zinc/00/07/30/534000730.db2.gz	WLDQBHBTQSJJEZ-ZOBUZTSGSA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cc2ccccc2s1	ZINC000192844828	533984328	/nfs/dbraw/zinc/98/43/28/533984328.db2.gz	KVPLHMFMMHDVPA-KCQAQPDRSA-N	1	0	284.428	4.634	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cc2ccccc2s1	ZINC000192844865	534000532	/nfs/dbraw/zinc/00/05/32/534000532.db2.gz	KVPLHMFMMHDVPA-YDHLFZDLSA-N	1	0	284.428	4.634	20	30		CJEDRO
N#CCC[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1	ZINC000193175748	262218125	/nfs/dbraw/zinc/21/81/25/262218125.db2.gz	VZAPDZKOQJFSNY-OAHLLOKOSA-N	1	0	290.819	4.536	20	30		CJEDRO
N#CCC[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1	ZINC000193175758	262218065	/nfs/dbraw/zinc/21/80/65/262218065.db2.gz	VZAPDZKOQJFSNY-HNNXBMFYSA-N	1	0	290.819	4.536	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccccc1	ZINC000194933853	331079775	/nfs/dbraw/zinc/07/97/75/331079775.db2.gz	VREDGKBJDZRFOX-KXBFYZLASA-N	1	0	281.399	4.750	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccccc1	ZINC000194933868	331079777	/nfs/dbraw/zinc/07/97/77/331079777.db2.gz	VREDGKBJDZRFOX-BEFAXECRSA-N	1	0	281.399	4.750	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccccc1	ZINC000194933898	331079756	/nfs/dbraw/zinc/07/97/56/331079756.db2.gz	VREDGKBJDZRFOX-DNVCBOLYSA-N	1	0	281.399	4.750	20	30		CJEDRO
Cc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl	ZINC000195448254	331173579	/nfs/dbraw/zinc/17/35/79/331173579.db2.gz	WFMMOMWPFZERRL-SFHVURJKSA-N	1	0	298.817	4.783	20	30		CJEDRO
Cc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl	ZINC000195448258	331173655	/nfs/dbraw/zinc/17/36/55/331173655.db2.gz	WFMMOMWPFZERRL-GOSISDBHSA-N	1	0	298.817	4.783	20	30		CJEDRO
C=CC[N@H+](Cc1cccs1)Cc1cc(C)sc1C	ZINC000195673826	333260446	/nfs/dbraw/zinc/26/04/46/333260446.db2.gz	CPAFLZJCCZWTIZ-UHFFFAOYSA-N	1	0	277.458	4.615	20	30		CJEDRO
CCC[N@H+](Cc1cc(C)sc1C)Cc1ccc(C#N)cc1	ZINC000195674306	333260534	/nfs/dbraw/zinc/26/05/34/333260534.db2.gz	FSZMOPJVYORKPE-UHFFFAOYSA-N	1	0	298.455	4.649	20	30		CJEDRO
CC[N@H+](Cc1cc(C)sc1C)[C@@H](C)c1ccc(C#N)cc1	ZINC000195674322	333260505	/nfs/dbraw/zinc/26/05/05/333260505.db2.gz	ILWOAYFBUYNJII-AWEZNQCLSA-N	1	0	298.455	4.820	20	30		CJEDRO
CC[N@H+](Cc1cc(C)sc1C)[C@H](C)c1ccc(C#N)cc1	ZINC000195674324	333260265	/nfs/dbraw/zinc/26/02/65/333260265.db2.gz	ILWOAYFBUYNJII-CQSZACIVSA-N	1	0	298.455	4.820	20	30		CJEDRO
Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)s1	ZINC000195732467	333262917	/nfs/dbraw/zinc/26/29/17/333262917.db2.gz	HSFFNPZDMKQWMB-UHFFFAOYSA-N	1	0	298.455	4.647	20	30		CJEDRO
C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1	ZINC000195732739	336059047	/nfs/dbraw/zinc/05/90/47/336059047.db2.gz	QHUPNXCSNQRIHM-LBPRGKRZSA-N	1	0	271.326	4.664	20	30		CJEDRO
C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(C(F)(F)F)c1	ZINC000195732740	336059107	/nfs/dbraw/zinc/05/91/07/336059107.db2.gz	QHUPNXCSNQRIHM-GFCCVEGCSA-N	1	0	271.326	4.664	20	30		CJEDRO
C=C(C[NH2+][C@@H](CC)c1cccs1)c1ccccc1	ZINC000211893211	327172563	/nfs/dbraw/zinc/17/25/63/327172563.db2.gz	DREGGMUFOILCIC-HNNXBMFYSA-N	1	0	257.402	4.502	20	30		CJEDRO
C=C(C[NH2+][C@H](CC)c1cccs1)c1ccccc1	ZINC000211893292	327172620	/nfs/dbraw/zinc/17/26/20/327172620.db2.gz	DREGGMUFOILCIC-OAHLLOKOSA-N	1	0	257.402	4.502	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1Cl	ZINC000229669687	333307346	/nfs/dbraw/zinc/30/73/46/333307346.db2.gz	JTQUAJAMRZBLLD-LLVKDONJSA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)c(Cl)c1	ZINC000229671075	333307426	/nfs/dbraw/zinc/30/74/26/333307426.db2.gz	UBCVEAULIPMFIO-LLVKDONJSA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)c(Cl)c1	ZINC000229671081	333307438	/nfs/dbraw/zinc/30/74/38/333307438.db2.gz	UBCVEAULIPMFIO-NSHDSACASA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc2ccccc21	ZINC000229671529	333307661	/nfs/dbraw/zinc/30/76/61/333307661.db2.gz	LSGHZVYQMYCBMR-OAHLLOKOSA-N	1	0	280.415	4.820	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc2ccccc21	ZINC000229671535	333307566	/nfs/dbraw/zinc/30/75/66/333307566.db2.gz	LSGHZVYQMYCBMR-HNNXBMFYSA-N	1	0	280.415	4.820	20	30		CJEDRO
CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1	ZINC000229674708	333307491	/nfs/dbraw/zinc/30/74/91/333307491.db2.gz	MWWKFNNNWSWOLS-OAHLLOKOSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1	ZINC000229674719	333307574	/nfs/dbraw/zinc/30/75/74/333307574.db2.gz	MWWKFNNNWSWOLS-HNNXBMFYSA-N	1	0	278.827	4.711	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(C(C)(C)C)cc1	ZINC000229674764	333307581	/nfs/dbraw/zinc/30/75/81/333307581.db2.gz	IOUWIOBGDXDQNN-OAHLLOKOSA-N	1	0	286.463	4.965	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(C(C)(C)C)cc1	ZINC000229674773	333307674	/nfs/dbraw/zinc/30/76/74/333307674.db2.gz	IOUWIOBGDXDQNN-HNNXBMFYSA-N	1	0	286.463	4.965	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1	ZINC000229678463	333307743	/nfs/dbraw/zinc/30/77/43/333307743.db2.gz	RKAAQINNPBSEFK-MRXNPFEDSA-N	1	0	292.854	4.957	20	30		CJEDRO
CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1	ZINC000229678475	333307859	/nfs/dbraw/zinc/30/78/59/333307859.db2.gz	RKAAQINNPBSEFK-INIZCTEOSA-N	1	0	292.854	4.957	20	30		CJEDRO
CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1	ZINC000229678707	333307770	/nfs/dbraw/zinc/30/77/70/333307770.db2.gz	TXKGRFMXEDVTSZ-OAHLLOKOSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1	ZINC000229678715	333307793	/nfs/dbraw/zinc/30/77/93/333307793.db2.gz	TXKGRFMXEDVTSZ-HNNXBMFYSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1	ZINC000229681147	333307820	/nfs/dbraw/zinc/30/78/20/333307820.db2.gz	LKNLXHKUTWBQOF-QGZVFWFLSA-N	1	0	272.436	4.693	20	30		CJEDRO
CC(C)C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1	ZINC000229681157	333307698	/nfs/dbraw/zinc/30/76/98/333307698.db2.gz	LKNLXHKUTWBQOF-KRWDZBQOSA-N	1	0	272.436	4.693	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc2c(c1)CCCC2	ZINC000229683445	333307759	/nfs/dbraw/zinc/30/77/59/333307759.db2.gz	JENFSPLBNJDPJZ-OAHLLOKOSA-N	1	0	284.447	4.546	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc2c(c1)CCCC2	ZINC000229683454	333307682	/nfs/dbraw/zinc/30/76/82/333307682.db2.gz	JENFSPLBNJDPJZ-HNNXBMFYSA-N	1	0	284.447	4.546	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1	ZINC000229683853	333307797	/nfs/dbraw/zinc/30/77/97/333307797.db2.gz	WUGOYZTUAJOXDZ-GFCCVEGCSA-N	1	0	298.352	4.686	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1	ZINC000229683862	333307776	/nfs/dbraw/zinc/30/77/76/333307776.db2.gz	WUGOYZTUAJOXDZ-LBPRGKRZSA-N	1	0	298.352	4.686	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(C(F)(F)F)cc1	ZINC000229684870	333307767	/nfs/dbraw/zinc/30/77/67/333307767.db2.gz	USKUFENVEXONRV-GFCCVEGCSA-N	1	0	298.352	4.686	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(C(F)(F)F)cc1	ZINC000229684878	333307721	/nfs/dbraw/zinc/30/77/21/333307721.db2.gz	USKUFENVEXONRV-LBPRGKRZSA-N	1	0	298.352	4.686	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H](c1cccs1)C1CCCC1	ZINC000229687745	333307945	/nfs/dbraw/zinc/30/79/45/333307945.db2.gz	OYYFWUWZGGYKIS-INIZCTEOSA-N	1	0	290.476	4.899	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H](c1cccs1)C1CCCC1	ZINC000229687756	333307974	/nfs/dbraw/zinc/30/79/74/333307974.db2.gz	OYYFWUWZGGYKIS-MRXNPFEDSA-N	1	0	290.476	4.899	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1CC(C)(C)CC(C)(C)C1	ZINC000229702488	260137253	/nfs/dbraw/zinc/13/72/53/260137253.db2.gz	DKUNNILMQFASNP-UHFFFAOYSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1	ZINC000230408553	333317740	/nfs/dbraw/zinc/31/77/40/333317740.db2.gz	HWKLNNJEIKQZRF-WDEREUQCSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1	ZINC000230408557	333317876	/nfs/dbraw/zinc/31/78/76/333317876.db2.gz	HWKLNNJEIKQZRF-QWRGUYRKSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1csc(Cl)c1	ZINC000230408561	333317767	/nfs/dbraw/zinc/31/77/67/333317767.db2.gz	HWKLNNJEIKQZRF-GHMZBOCLSA-N	1	0	290.819	4.685	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)c1ccc(C#N)cc1	ZINC000230408564	333317857	/nfs/dbraw/zinc/31/78/57/333317857.db2.gz	HWKLNNJEIKQZRF-MNOVXSKESA-N	1	0	290.819	4.685	20	30		CJEDRO
CC(C)(C)CC(C)(C)[NH2+]CCCCC(C)(C)C#N	ZINC000232491527	333337573	/nfs/dbraw/zinc/33/75/73/333337573.db2.gz	KGPPBKGTOGTAIP-UHFFFAOYSA-N	1	0	252.446	4.511	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C(C)(C)CCc1ccccc1	ZINC000232526758	333337949	/nfs/dbraw/zinc/33/79/49/333337949.db2.gz	HKJCLSBHNSUIGR-UHFFFAOYSA-N	1	0	286.463	4.707	20	30		CJEDRO
CC(C)C[N@H+](CCCCC(C)(C)C#N)C1CCCC1	ZINC000232581518	333339059	/nfs/dbraw/zinc/33/90/59/333339059.db2.gz	JJLCNRJZPHKSAE-UHFFFAOYSA-N	1	0	264.457	4.607	20	30		CJEDRO
CC(C)[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1	ZINC000232627123	333339761	/nfs/dbraw/zinc/33/97/61/333339761.db2.gz	JIRIMWOEUWZJDB-UHFFFAOYSA-N	1	0	272.436	4.617	20	30		CJEDRO
CC(C)[N@H+](CCCCC(C)(C)C#N)Cc1cccs1	ZINC000232627245	333339729	/nfs/dbraw/zinc/33/97/29/333339729.db2.gz	ZDYHQZYTQRUNNU-UHFFFAOYSA-N	1	0	278.465	4.679	20	30		CJEDRO
CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000232698555	260275935	/nfs/dbraw/zinc/27/59/35/260275935.db2.gz	VBAGPFYFWHFIII-HOTGVXAUSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000232721496	333341608	/nfs/dbraw/zinc/34/16/08/333341608.db2.gz	VBAGPFYFWHFIII-JKSUJKDBSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000232724759	333341799	/nfs/dbraw/zinc/34/17/99/333341799.db2.gz	VBAGPFYFWHFIII-HZPDHXFCSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000232791891	333342968	/nfs/dbraw/zinc/34/29/68/333342968.db2.gz	VBAGPFYFWHFIII-CVEARBPZSA-N	1	0	264.457	4.511	20	30		CJEDRO
CCC1CCC([N@H+](C)CCCCC(C)(C)C#N)CC1	ZINC000232887133	333344963	/nfs/dbraw/zinc/34/49/63/333344963.db2.gz	UOQWUPQCUUHWDC-UHFFFAOYSA-N	1	0	264.457	4.607	20	30		CJEDRO
CCCCC[N@H+](CCCCC(C)(C)C#N)C(C)C	ZINC000232972460	333346379	/nfs/dbraw/zinc/34/63/79/333346379.db2.gz	VUWXJNPKWXDBMK-UHFFFAOYSA-N	1	0	252.446	4.607	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccs1	ZINC000233887447	333355677	/nfs/dbraw/zinc/35/56/77/333355677.db2.gz	QAGDRPDDZBTWOX-CYBMUJFWSA-N	1	0	264.438	4.509	20	30		CJEDRO
CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccs1	ZINC000234041021	260337138	/nfs/dbraw/zinc/33/71/38/260337138.db2.gz	QAGDRPDDZBTWOX-ZDUSSCGKSA-N	1	0	264.438	4.509	20	30		CJEDRO
C[N@H+](CCCCC(C)(C)C#N)C1CCC(C)(C)CC1	ZINC000234271034	333359350	/nfs/dbraw/zinc/35/93/50/333359350.db2.gz	DVWLOGGURMJNSZ-UHFFFAOYSA-N	1	0	264.457	4.607	20	30		CJEDRO
C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(Cl)s1	ZINC000234272403	333359328	/nfs/dbraw/zinc/35/93/28/333359328.db2.gz	VICUOKBWMKQDCI-UHFFFAOYSA-N	1	0	284.856	4.553	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c(C)s1	ZINC000235192659	333366500	/nfs/dbraw/zinc/36/65/00/333366500.db2.gz	ADTNPDIJKJCDBO-CYBMUJFWSA-N	1	0	278.465	4.736	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1F	ZINC000235192798	333366323	/nfs/dbraw/zinc/36/63/23/333366323.db2.gz	RMVHKXBLQNNQHL-CQSZACIVSA-N	1	0	276.399	4.505	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000235192974	333366352	/nfs/dbraw/zinc/36/63/52/333366352.db2.gz	UYCBSKTWRIWEHR-CYBMUJFWSA-N	1	0	278.827	4.711	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(Cl)c1	ZINC000235193186	333366476	/nfs/dbraw/zinc/36/64/76/333366476.db2.gz	UITHZWKPJIKZIX-CYBMUJFWSA-N	1	0	278.827	4.711	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1Cl	ZINC000235193385	333366414	/nfs/dbraw/zinc/36/64/14/333366414.db2.gz	IHGCOJHEGVVVRH-CYBMUJFWSA-N	1	0	278.827	4.711	20	30		CJEDRO
C[C@@H](c1ccccc1F)[N@H+](C)CCCCC(C)(C)C#N	ZINC000235467209	333370004	/nfs/dbraw/zinc/37/00/04/333370004.db2.gz	MTEOLINIJGRVTD-AWEZNQCLSA-N	1	0	276.399	4.539	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+]CCCCC(C)(C)C#N)c(C)s1	ZINC000235506606	333370253	/nfs/dbraw/zinc/37/02/53/333370253.db2.gz	ADTNPDIJKJCDBO-ZDUSSCGKSA-N	1	0	278.465	4.736	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000235506705	333370182	/nfs/dbraw/zinc/37/01/82/333370182.db2.gz	UYCBSKTWRIWEHR-ZDUSSCGKSA-N	1	0	278.827	4.711	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1Cl	ZINC000235506859	333370273	/nfs/dbraw/zinc/37/02/73/333370273.db2.gz	IHGCOJHEGVVVRH-ZDUSSCGKSA-N	1	0	278.827	4.711	20	30		CJEDRO
Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)cs1	ZINC000236620223	334059246	/nfs/dbraw/zinc/05/92/46/334059246.db2.gz	AMGVISDUYJODMQ-GOSISDBHSA-N	1	0	298.455	4.805	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1	ZINC000236681620	333374721	/nfs/dbraw/zinc/37/47/21/333374721.db2.gz	RIEQBKDZQAGMHC-HXUWFJFHSA-N	1	0	292.426	4.825	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000236682353	333374637	/nfs/dbraw/zinc/37/46/37/333374637.db2.gz	VKMAHMCKSVUCBI-HXUWFJFHSA-N	1	0	292.426	4.825	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccs1	ZINC000236682396	333374712	/nfs/dbraw/zinc/37/47/12/333374712.db2.gz	LJJPGERVTRBRAH-GOSISDBHSA-N	1	0	298.455	4.887	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1	ZINC000236703141	333374933	/nfs/dbraw/zinc/37/49/33/333374933.db2.gz	RIEQBKDZQAGMHC-FQEVSTJZSA-N	1	0	292.426	4.825	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccs1	ZINC000236703169	333375003	/nfs/dbraw/zinc/37/50/03/333375003.db2.gz	JUQXQIMOCXACCR-SFHVURJKSA-N	1	0	298.455	4.887	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1	ZINC000236703753	333374834	/nfs/dbraw/zinc/37/48/34/333374834.db2.gz	VKMAHMCKSVUCBI-FQEVSTJZSA-N	1	0	292.426	4.825	20	30		CJEDRO
CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl	ZINC000236739285	333375208	/nfs/dbraw/zinc/37/52/08/333375208.db2.gz	YDMQIJXWHXRHLT-GOSISDBHSA-N	1	0	298.817	4.699	20	30		CJEDRO
CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl	ZINC000236790969	333375361	/nfs/dbraw/zinc/37/53/61/333375361.db2.gz	YDMQIJXWHXRHLT-SFHVURJKSA-N	1	0	298.817	4.699	20	30		CJEDRO
CCCCc1oc2ccccc2c1C[NH2+]CCCCC#N	ZINC000236922443	333376493	/nfs/dbraw/zinc/37/64/93/333376493.db2.gz	DQZZTQXMKYISBB-UHFFFAOYSA-N	1	0	284.403	4.559	20	30		CJEDRO
CCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1	ZINC000236967804	333376713	/nfs/dbraw/zinc/37/67/13/333376713.db2.gz	DOUATONMHUWJDA-FQEVSTJZSA-N	1	0	292.426	4.608	20	30		CJEDRO
CCc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)C)cc1	ZINC000236986700	333376812	/nfs/dbraw/zinc/37/68/12/333376812.db2.gz	DOUATONMHUWJDA-HXUWFJFHSA-N	1	0	292.426	4.608	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cccc2ccccc21)c1cccc(C#N)c1	ZINC000237343697	333378975	/nfs/dbraw/zinc/37/89/75/333378975.db2.gz	QAAROLAFQRXHKY-OAHLLOKOSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc2ccccc2s1	ZINC000237445161	334089209	/nfs/dbraw/zinc/08/92/09/334089209.db2.gz	QVKWSWWPZVERPR-LLVKDONJSA-N	1	0	298.436	4.685	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1	ZINC000237476833	333379844	/nfs/dbraw/zinc/37/98/44/333379844.db2.gz	VZWQZQMRUKPKKM-OAHLLOKOSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc2ccccc2s1	ZINC000237477785	334089701	/nfs/dbraw/zinc/08/97/01/334089701.db2.gz	ABVKLICZALBRAB-LLVKDONJSA-N	1	0	298.436	4.685	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1	ZINC000237478692	334089749	/nfs/dbraw/zinc/08/97/49/334089749.db2.gz	UVDRDPYJGZFIDS-OAHLLOKOSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1	ZINC000237484455	333379760	/nfs/dbraw/zinc/37/97/60/333379760.db2.gz	UILOUTASOMXJQI-HNNXBMFYSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@H]([NH2+]Cc1cccc2ccccc21)c1cccc(C#N)c1	ZINC000237502792	333379768	/nfs/dbraw/zinc/37/97/68/333379768.db2.gz	QAAROLAFQRXHKY-HNNXBMFYSA-N	1	0	286.378	4.562	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(C(C)(C)C)cc1	ZINC000237516804	333380038	/nfs/dbraw/zinc/38/00/38/333380038.db2.gz	UILOUTASOMXJQI-OAHLLOKOSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc2ccccc2s1	ZINC000237560869	334091251	/nfs/dbraw/zinc/09/12/51/334091251.db2.gz	QVKWSWWPZVERPR-NSHDSACASA-N	1	0	298.436	4.685	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(C(C)(C)C)cc1	ZINC000237587187	333380303	/nfs/dbraw/zinc/38/03/03/333380303.db2.gz	VZWQZQMRUKPKKM-HNNXBMFYSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc2ccccc2s1	ZINC000237588021	334091987	/nfs/dbraw/zinc/09/19/87/334091987.db2.gz	ABVKLICZALBRAB-NSHDSACASA-N	1	0	298.436	4.685	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1	ZINC000237588805	334091898	/nfs/dbraw/zinc/09/18/98/334091898.db2.gz	UVDRDPYJGZFIDS-HNNXBMFYSA-N	1	0	292.426	4.707	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)C	ZINC000237673052	334094751	/nfs/dbraw/zinc/09/47/51/334094751.db2.gz	ZDAKZOHBUPWCNW-IBGZPJMESA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cccc([C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C)c1	ZINC000237727655	334096489	/nfs/dbraw/zinc/09/64/89/334096489.db2.gz	AMAORFKWNYSOTC-IBGZPJMESA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cc(C)cc(-c2ccc(C[NH2+]CCCCC#N)cc2)c1	ZINC000237845541	334100396	/nfs/dbraw/zinc/10/03/96/334100396.db2.gz	VSIKFTHUAJHBMS-UHFFFAOYSA-N	1	0	292.426	4.754	20	30		CJEDRO
C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@H]1c1cccc(F)c1	ZINC000245411089	334190794	/nfs/dbraw/zinc/19/07/94/334190794.db2.gz	VBTFZAUSKGGUFD-RHSMWYFYSA-N	1	0	288.410	4.539	20	30		CJEDRO
C[C@H]1CC[N@H+](CCCC(C)(C)C#N)[C@H]1c1cccc(F)c1	ZINC000245411090	334190777	/nfs/dbraw/zinc/19/07/77/334190777.db2.gz	VBTFZAUSKGGUFD-WMLDXEAASA-N	1	0	288.410	4.539	20	30		CJEDRO
C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000246445207	334257818	/nfs/dbraw/zinc/25/78/18/334257818.db2.gz	VCKKJXHFAOCRCF-BBRMVZONSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000246445222	334257912	/nfs/dbraw/zinc/25/79/12/334257912.db2.gz	VCKKJXHFAOCRCF-CJNGLKHVSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cccc(C#N)c1	ZINC000247160309	334276729	/nfs/dbraw/zinc/27/67/29/334276729.db2.gz	RZXUUAVGQKZAAI-STXHMFSFSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1cccc(C#N)c1	ZINC000247160322	334276632	/nfs/dbraw/zinc/27/66/32/334276632.db2.gz	RZXUUAVGQKZAAI-SXGZJXTBSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1	ZINC000247234605	334278008	/nfs/dbraw/zinc/27/80/08/334278008.db2.gz	YNVSSALKZASIGG-STXHMFSFSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1ccc(C#N)cc1	ZINC000247234625	327451791	/nfs/dbraw/zinc/45/17/91/327451791.db2.gz	YNVSSALKZASIGG-SXGZJXTBSA-N	1	0	290.410	4.847	20	30		CJEDRO
CCSc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1	ZINC000248723545	334314761	/nfs/dbraw/zinc/31/47/61/334314761.db2.gz	CNUHGJYXIQSFLB-LZWOXQAQSA-N	1	0	288.460	4.532	20	30		CJEDRO
CCSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1	ZINC000248723550	334314809	/nfs/dbraw/zinc/31/48/09/334314809.db2.gz	CNUHGJYXIQSFLB-SQWLQELKSA-N	1	0	288.460	4.532	20	30		CJEDRO
C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000248872922	334320149	/nfs/dbraw/zinc/32/01/49/334320149.db2.gz	BXNZPGJARKZCPG-BBRMVZONSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1cccs1	ZINC000248872925	334320101	/nfs/dbraw/zinc/32/01/01/334320101.db2.gz	BXNZPGJARKZCPG-CJNGLKHVSA-N	1	0	282.412	4.518	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cc2ccccc2s1	ZINC000248881297	334320757	/nfs/dbraw/zinc/32/07/57/334320757.db2.gz	KVPLHMFMMHDVPA-GUTXKFCHSA-N	1	0	284.428	4.634	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cc2ccccc2s1	ZINC000248881299	334320598	/nfs/dbraw/zinc/32/05/98/334320598.db2.gz	KVPLHMFMMHDVPA-GZBFAFLISA-N	1	0	284.428	4.634	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc2ccccc21	ZINC000249047061	334325763	/nfs/dbraw/zinc/32/57/63/334325763.db2.gz	WLDQBHBTQSJJEZ-UXLLHSPISA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc2ccccc21	ZINC000249047063	334325822	/nfs/dbraw/zinc/32/58/22/334325822.db2.gz	WLDQBHBTQSJJEZ-ZMSDIMECSA-N	1	0	278.399	4.573	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)s1	ZINC000265107568	522872974	/nfs/dbraw/zinc/87/29/74/522872974.db2.gz	BFCRRZLXMWCCAA-CYBMUJFWSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)s1	ZINC000265107577	522642428	/nfs/dbraw/zinc/64/24/28/522642428.db2.gz	BFCRRZLXMWCCAA-ZDUSSCGKSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)s1	ZINC000267195123	522871655	/nfs/dbraw/zinc/87/16/55/522871655.db2.gz	NETLEJPZZXAKPI-LLVKDONJSA-N	1	0	296.848	4.576	20	30		CJEDRO
CC(C)(C#N)c1ccccc1C[NH2+]C(C)(C)c1ccccc1	ZINC000269015454	328188605	/nfs/dbraw/zinc/18/86/05/328188605.db2.gz	WOEYQOGJRGMGPP-UHFFFAOYSA-N	1	0	292.426	4.513	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccccc1	ZINC000271488609	330079838	/nfs/dbraw/zinc/07/98/38/330079838.db2.gz	KDGUILNTOUIVII-BBRMVZONSA-N	1	0	286.444	4.810	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1csc(C)n1)c1ccccc1	ZINC000271488611	330080190	/nfs/dbraw/zinc/08/01/90/330080190.db2.gz	KDGUILNTOUIVII-CJNGLKHVSA-N	1	0	286.444	4.810	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1csc(C)n1)c1ccccc1	ZINC000271488613	330079687	/nfs/dbraw/zinc/07/96/87/330079687.db2.gz	KDGUILNTOUIVII-CZUORRHYSA-N	1	0	286.444	4.810	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1csc(C)n1)c1ccccc1	ZINC000271488614	330079664	/nfs/dbraw/zinc/07/96/64/330079664.db2.gz	KDGUILNTOUIVII-XJKSGUPXSA-N	1	0	286.444	4.810	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1cnccc1C)c1ccccc1	ZINC000271503959	330080887	/nfs/dbraw/zinc/08/08/87/330080887.db2.gz	MKRSFXXXEBYEQI-APWZRJJASA-N	1	0	280.415	4.748	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1cnccc1C)c1ccccc1	ZINC000271503960	330080838	/nfs/dbraw/zinc/08/08/38/330080838.db2.gz	MKRSFXXXEBYEQI-LPHOPBHVSA-N	1	0	280.415	4.748	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1cnccc1C)c1ccccc1	ZINC000271503961	330080866	/nfs/dbraw/zinc/08/08/66/330080866.db2.gz	MKRSFXXXEBYEQI-QFBILLFUSA-N	1	0	280.415	4.748	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1cnccc1C)c1ccccc1	ZINC000271503962	330081366	/nfs/dbraw/zinc/08/13/66/330081366.db2.gz	MKRSFXXXEBYEQI-VQIMIIECSA-N	1	0	280.415	4.748	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1	ZINC000271550243	330081412	/nfs/dbraw/zinc/08/14/12/330081412.db2.gz	UWJBXQOJJWTIRB-DZGCQCFKSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1cncs1)c1ccccc1	ZINC000271550246	330081350	/nfs/dbraw/zinc/08/13/50/330081350.db2.gz	UWJBXQOJJWTIRB-HIFRSBDPSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1cncs1)c1ccccc1	ZINC000271550248	330081223	/nfs/dbraw/zinc/08/12/23/330081223.db2.gz	UWJBXQOJJWTIRB-UKRRQHHQSA-N	1	0	272.417	4.501	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1	ZINC000271550251	330080801	/nfs/dbraw/zinc/08/08/01/330080801.db2.gz	UWJBXQOJJWTIRB-ZFWWWQNUSA-N	1	0	272.417	4.501	20	30		CJEDRO
Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCC(C)(C)C#N	ZINC000271956787	263000712	/nfs/dbraw/zinc/00/07/12/263000712.db2.gz	CAYDINNHFGJSRQ-CYBMUJFWSA-N	1	0	293.480	4.508	20	30		CJEDRO
Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCC(C)(C)C#N	ZINC000271956789	263000577	/nfs/dbraw/zinc/00/05/77/263000577.db2.gz	CAYDINNHFGJSRQ-ZDUSSCGKSA-N	1	0	293.480	4.508	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccccc1	ZINC000272027820	330084569	/nfs/dbraw/zinc/08/45/69/330084569.db2.gz	WNZARJQUMUMCGV-JXFKEZNVSA-N	1	0	295.426	4.537	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)c1ccccc1	ZINC000272027821	330084531	/nfs/dbraw/zinc/08/45/31/330084531.db2.gz	WNZARJQUMUMCGV-OXJNMPFZSA-N	1	0	295.426	4.537	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)c1ccccc1	ZINC000272027822	330084643	/nfs/dbraw/zinc/08/46/43/330084643.db2.gz	WNZARJQUMUMCGV-OXQOHEQNSA-N	1	0	295.426	4.537	20	30		CJEDRO
CC[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)s1	ZINC000273492600	263017496	/nfs/dbraw/zinc/01/74/96/263017496.db2.gz	KSUUIMNVAITXTI-LLVKDONJSA-N	1	0	284.856	4.772	20	30		CJEDRO
CC[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)s1	ZINC000273492602	263017328	/nfs/dbraw/zinc/01/73/28/263017328.db2.gz	KSUUIMNVAITXTI-NSHDSACASA-N	1	0	284.856	4.772	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccsc1	ZINC000276908075	328220151	/nfs/dbraw/zinc/22/01/51/328220151.db2.gz	KGFYQPPSAYITKJ-CXAGYDPISA-N	1	0	284.428	4.812	20	30		CJEDRO
CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccsc1	ZINC000276908087	328220169	/nfs/dbraw/zinc/22/01/69/328220169.db2.gz	KGFYQPPSAYITKJ-DYVFJYSZSA-N	1	0	284.428	4.812	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccsc1	ZINC000276908098	328220114	/nfs/dbraw/zinc/22/01/14/328220114.db2.gz	KGFYQPPSAYITKJ-GUYCJALGSA-N	1	0	284.428	4.812	20	30		CJEDRO
CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccsc1	ZINC000276908108	263038580	/nfs/dbraw/zinc/03/85/80/263038580.db2.gz	KGFYQPPSAYITKJ-SUMWQHHRSA-N	1	0	284.428	4.812	20	30		CJEDRO
CCC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccsc1	ZINC000276996947	263038961	/nfs/dbraw/zinc/03/89/61/263038961.db2.gz	YMIFCAXXTOWUHA-KRWDZBQOSA-N	1	0	296.439	4.740	20	30		CJEDRO
CCC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccsc1	ZINC000276996949	263039058	/nfs/dbraw/zinc/03/90/58/263039058.db2.gz	YMIFCAXXTOWUHA-QGZVFWFLSA-N	1	0	296.439	4.740	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1c1ccsc1	ZINC000277613388	263042373	/nfs/dbraw/zinc/04/23/73/263042373.db2.gz	FWKWZFYOFBDCRI-HNNXBMFYSA-N	1	0	276.449	4.605	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1c1ccsc1	ZINC000277613391	263042434	/nfs/dbraw/zinc/04/24/34/263042434.db2.gz	FWKWZFYOFBDCRI-OAHLLOKOSA-N	1	0	276.449	4.605	20	30		CJEDRO
CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)c1ccc(C#N)cc1	ZINC000277758281	328222553	/nfs/dbraw/zinc/22/25/53/328222553.db2.gz	QDUPPIMKLHZIGB-INIZCTEOSA-N	1	0	297.446	4.661	20	30		CJEDRO
CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)c1ccc(C#N)cc1	ZINC000277758286	328222479	/nfs/dbraw/zinc/22/24/79/328222479.db2.gz	QDUPPIMKLHZIGB-MRXNPFEDSA-N	1	0	297.446	4.661	20	30		CJEDRO
C[C@@H](c1ccco1)[N@H+](CCCCC(C)(C)C#N)C1CC1	ZINC000277818011	263043487	/nfs/dbraw/zinc/04/34/87/263043487.db2.gz	VLQVRFNWAKTIIG-AWEZNQCLSA-N	1	0	274.408	4.525	20	30		CJEDRO
C[C@H](c1ccco1)[N@H+](CCCCC(C)(C)C#N)C1CC1	ZINC000277818013	263043504	/nfs/dbraw/zinc/04/35/04/263043504.db2.gz	VLQVRFNWAKTIIG-CQSZACIVSA-N	1	0	274.408	4.525	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1c1cccs1	ZINC000277874619	263044231	/nfs/dbraw/zinc/04/42/31/263044231.db2.gz	DTYFWFPWLXBEKZ-AWEZNQCLSA-N	1	0	276.449	4.605	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1c1cccs1	ZINC000277874624	263044204	/nfs/dbraw/zinc/04/42/04/263044204.db2.gz	DTYFWFPWLXBEKZ-CQSZACIVSA-N	1	0	276.449	4.605	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1	ZINC000280322082	263060472	/nfs/dbraw/zinc/06/04/72/263060472.db2.gz	QLRGMSBGBYXPOV-KOMQPUFPSA-N	1	0	290.838	4.506	20	30		CJEDRO
CCC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccsc1	ZINC000282480620	263076878	/nfs/dbraw/zinc/07/68/78/263076878.db2.gz	WWXPDIBVTYLPCS-XUJLQICISA-N	1	0	276.449	4.509	20	30		CJEDRO
CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccsc1	ZINC000282480626	263077033	/nfs/dbraw/zinc/07/70/33/263077033.db2.gz	WWXPDIBVTYLPCS-ZBCRRDGASA-N	1	0	276.449	4.509	20	30		CJEDRO
CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000283630601	328244529	/nfs/dbraw/zinc/24/45/29/328244529.db2.gz	VSILRFZTXACUSX-UONOGXRCSA-N	1	0	296.439	4.692	20	30		CJEDRO
CSc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1	ZINC000283630602	328244559	/nfs/dbraw/zinc/24/45/59/328244559.db2.gz	VSILRFZTXACUSX-ZIAGYGMSSA-N	1	0	296.439	4.692	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccccc1	ZINC000286179635	264577358	/nfs/dbraw/zinc/57/73/58/264577358.db2.gz	QGDJQCZAASBHQE-FUHWJXTLSA-N	1	0	280.415	4.748	20	30		CJEDRO
C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21	ZINC000290481868	263116974	/nfs/dbraw/zinc/11/69/74/263116974.db2.gz	XLCXMLIUBRQSDC-CDHQVMDDSA-N	1	0	290.410	4.870	20	30		CJEDRO
C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21	ZINC000290481876	263117076	/nfs/dbraw/zinc/11/70/76/263117076.db2.gz	XLCXMLIUBRQSDC-UIAACRFSSA-N	1	0	290.410	4.870	20	30		CJEDRO
C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21	ZINC000290481883	263117090	/nfs/dbraw/zinc/11/70/90/263117090.db2.gz	XLCXMLIUBRQSDC-XPGWFJOJSA-N	1	0	290.410	4.870	20	30		CJEDRO
C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21	ZINC000290481891	263117016	/nfs/dbraw/zinc/11/70/16/263117016.db2.gz	XLCXMLIUBRQSDC-YSGRDPCXSA-N	1	0	290.410	4.870	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1	ZINC000293411298	328275655	/nfs/dbraw/zinc/27/56/55/328275655.db2.gz	MLFSGARQNXFDSZ-HDJSIYSDSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(CCC#N)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccccc1	ZINC000293855335	328278131	/nfs/dbraw/zinc/27/81/31/328278131.db2.gz	IAHGWNWSALCDBS-KRWDZBQOSA-N	1	0	282.431	4.544	20	30		CJEDRO
CC(C)(CCC#N)C[N@@H+]1CC2(CCC2)[C@H]1c1ccccc1	ZINC000293855340	328278126	/nfs/dbraw/zinc/27/81/26/328278126.db2.gz	IAHGWNWSALCDBS-QGZVFWFLSA-N	1	0	282.431	4.544	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H](C)c1ccc(Cl)cc1	ZINC000295018239	263170864	/nfs/dbraw/zinc/17/08/64/263170864.db2.gz	KGUZXJIZYWJNGL-FHIRATQRSA-N	1	0	290.838	4.504	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H](C)c1ccc(Cl)cc1	ZINC000295018242	263170779	/nfs/dbraw/zinc/17/07/79/263170779.db2.gz	KGUZXJIZYWJNGL-LOUJCGABSA-N	1	0	290.838	4.504	20	30		CJEDRO
C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1	ZINC000295018243	263170845	/nfs/dbraw/zinc/17/08/45/263170845.db2.gz	KGUZXJIZYWJNGL-WSMBLCCSSA-N	1	0	290.838	4.504	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H](C)c1ccc(Cl)cc1	ZINC000295018246	263170800	/nfs/dbraw/zinc/17/08/00/263170800.db2.gz	KGUZXJIZYWJNGL-WVZRYYJFSA-N	1	0	290.838	4.504	20	30		CJEDRO
C=CCC[C@@H](NCc1csc(Cl)n1)c1ccccc1	ZINC000295037368	265022337	/nfs/dbraw/zinc/02/23/37/265022337.db2.gz	SMKJHVCPNAARAS-CQSZACIVSA-N	1	0	292.835	4.594	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)C1	ZINC000295055237	328284520	/nfs/dbraw/zinc/28/45/20/328284520.db2.gz	NTDHOOXRAHUESC-YOEHRIQHSA-N	1	0	296.439	4.587	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(C2CC2)c1	ZINC000295294821	263175690	/nfs/dbraw/zinc/17/56/90/263175690.db2.gz	DZQXLWFDFDTQGH-AWEZNQCLSA-N	1	0	270.420	4.545	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(C2CC2)c1	ZINC000295294823	263175741	/nfs/dbraw/zinc/17/57/41/263175741.db2.gz	DZQXLWFDFDTQGH-CQSZACIVSA-N	1	0	270.420	4.545	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)s1	ZINC000295860083	328287582	/nfs/dbraw/zinc/28/75/82/328287582.db2.gz	BLULBDYLPVKOQH-SDDRHHMPSA-N	1	0	282.840	4.525	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)s1	ZINC000295860088	328287590	/nfs/dbraw/zinc/28/75/90/328287590.db2.gz	BLULBDYLPVKOQH-SRVKXCTJSA-N	1	0	282.840	4.525	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc2ccccc21	ZINC000296256748	263188240	/nfs/dbraw/zinc/18/82/40/263188240.db2.gz	DBROTSHGVIFMSV-VYDXJSESSA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc2ccccc21	ZINC000296256749	263188243	/nfs/dbraw/zinc/18/82/43/263188243.db2.gz	DBROTSHGVIFMSV-ZOBUZTSGSA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000296411786	263191078	/nfs/dbraw/zinc/19/10/78/263191078.db2.gz	KXXMUCNRVAQFSG-GVXVVHGQSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000296411790	263191099	/nfs/dbraw/zinc/19/10/99/263191099.db2.gz	KXXMUCNRVAQFSG-MDZLAQPJSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1Cl	ZINC000296439063	263191609	/nfs/dbraw/zinc/19/16/09/263191609.db2.gz	MFGYPZOYJWITAZ-SRVKXCTJSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1Cl	ZINC000296439065	263191704	/nfs/dbraw/zinc/19/17/04/263191704.db2.gz	MFGYPZOYJWITAZ-WOPDTQHZSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)o1	ZINC000296481939	328290724	/nfs/dbraw/zinc/29/07/24/328290724.db2.gz	OIGPTVGTWDYIPD-VYDXJSESSA-N	1	0	294.398	4.680	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(-c2ccccc2)o1	ZINC000296481945	328290726	/nfs/dbraw/zinc/29/07/26/328290726.db2.gz	OIGPTVGTWDYIPD-ZOBUZTSGSA-N	1	0	294.398	4.680	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2cccs2)C2CCCC2)C1	ZINC000296504529	328291033	/nfs/dbraw/zinc/29/10/33/328291033.db2.gz	PFZOENWSVGPSFD-JLJPHGGASA-N	1	0	288.460	4.651	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2cccs2)C2CCCC2)C1	ZINC000296504532	328290992	/nfs/dbraw/zinc/29/09/92/328290992.db2.gz	PFZOENWSVGPSFD-QRTARXTBSA-N	1	0	288.460	4.651	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1	ZINC000296512583	263192385	/nfs/dbraw/zinc/19/23/85/263192385.db2.gz	PNYTVEDYBUKLMA-KKUMJFAQSA-N	1	0	276.449	4.507	20	30		CJEDRO
CC(C)C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1	ZINC000296512586	263192332	/nfs/dbraw/zinc/19/23/32/263192332.db2.gz	PNYTVEDYBUKLMA-SOUVJXGZSA-N	1	0	276.449	4.507	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc2ccccc2c1	ZINC000296565976	263192907	/nfs/dbraw/zinc/19/29/07/263192907.db2.gz	SOOAVIFRHNVALW-DOXZYTNZSA-N	1	0	278.399	4.573	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc2ccccc2c1	ZINC000296565978	263192972	/nfs/dbraw/zinc/19/29/72/263192972.db2.gz	SOOAVIFRHNVALW-VCBZYWHSSA-N	1	0	278.399	4.573	20	30		CJEDRO
CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccsc1	ZINC000296890515	263198022	/nfs/dbraw/zinc/19/80/22/263198022.db2.gz	OOAKZVMBUIKTPL-DLBZAZTESA-N	1	0	284.428	4.834	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccsc1	ZINC000296890519	263198025	/nfs/dbraw/zinc/19/80/25/263198025.db2.gz	OOAKZVMBUIKTPL-IAGOWNOFSA-N	1	0	284.428	4.834	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccsc1	ZINC000296890520	263197969	/nfs/dbraw/zinc/19/79/69/263197969.db2.gz	OOAKZVMBUIKTPL-IRXDYDNUSA-N	1	0	284.428	4.834	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccsc1	ZINC000296890524	263198041	/nfs/dbraw/zinc/19/80/41/263198041.db2.gz	OOAKZVMBUIKTPL-SJORKVTESA-N	1	0	284.428	4.834	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cs1	ZINC000297043788	263200020	/nfs/dbraw/zinc/20/00/20/263200020.db2.gz	VJGBYFRRGUWGIL-PBHICJAKSA-N	1	0	284.428	4.752	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cs1	ZINC000297043790	263199803	/nfs/dbraw/zinc/19/98/03/263199803.db2.gz	VJGBYFRRGUWGIL-RHSMWYFYSA-N	1	0	284.428	4.752	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cs1	ZINC000297043792	263199807	/nfs/dbraw/zinc/19/98/07/263199807.db2.gz	VJGBYFRRGUWGIL-WMLDXEAASA-N	1	0	284.428	4.752	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cs1	ZINC000297043795	263200212	/nfs/dbraw/zinc/20/02/12/263200212.db2.gz	VJGBYFRRGUWGIL-YOEHRIQHSA-N	1	0	284.428	4.752	20	30		CJEDRO
C=CCC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1	ZINC000302507445	527451104	/nfs/dbraw/zinc/45/11/04/527451104.db2.gz	WOMDRSVZOFHHJC-QGZVFWFLSA-N	1	0	252.361	4.509	20	30		CJEDRO
CCCC[N@H+](CCCCC#N)[C@H](CC)c1ccccc1	ZINC000303645069	333345133	/nfs/dbraw/zinc/34/51/33/333345133.db2.gz	RYYWFOYPLYRULZ-GOSISDBHSA-N	1	0	272.436	4.934	20	30		CJEDRO
CCCC[N@H+](CCCCC#N)[C@@H](CC)c1ccccc1	ZINC000303645072	333345046	/nfs/dbraw/zinc/34/50/46/333345046.db2.gz	RYYWFOYPLYRULZ-SFHVURJKSA-N	1	0	272.436	4.934	20	30		CJEDRO
CCCC[N@H+](CCCC#N)[C@@H](CC)c1ccccc1	ZINC000303660807	333345121	/nfs/dbraw/zinc/34/51/21/333345121.db2.gz	WKBCCFPKZZWLSN-KRWDZBQOSA-N	1	0	258.409	4.544	20	30		CJEDRO
CCCC[N@H+](CCCC#N)[C@H](CC)c1ccccc1	ZINC000303660808	333345160	/nfs/dbraw/zinc/34/51/60/333345160.db2.gz	WKBCCFPKZZWLSN-QGZVFWFLSA-N	1	0	258.409	4.544	20	30		CJEDRO
Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)cc1	ZINC000303898746	328364119	/nfs/dbraw/zinc/36/41/19/328364119.db2.gz	LENCJMLFEQSGSQ-FQEVSTJZSA-N	1	0	290.410	4.594	20	30		CJEDRO
Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)cc1	ZINC000303898749	328364195	/nfs/dbraw/zinc/36/41/95/328364195.db2.gz	LENCJMLFEQSGSQ-HXUWFJFHSA-N	1	0	290.410	4.594	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Br)s1	ZINC000308928210	332851569	/nfs/dbraw/zinc/85/15/69/332851569.db2.gz	DQTNBWKYNRLCEN-NXEZZACHSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(Br)s1	ZINC000308928211	332851502	/nfs/dbraw/zinc/85/15/02/332851502.db2.gz	DQTNBWKYNRLCEN-VHSXEESVSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(Br)cs1	ZINC000309090159	332952405	/nfs/dbraw/zinc/95/24/05/332952405.db2.gz	BWNBWMORYBECIX-GXSJLCMTSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H](C)c1cc(Br)cs1	ZINC000309090160	332952416	/nfs/dbraw/zinc/95/24/16/332952416.db2.gz	BWNBWMORYBECIX-KOLCDFICSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CCCCC[NH2+][C@H]1C[C@H](C)Sc2sccc21	ZINC000310107633	260207535	/nfs/dbraw/zinc/20/75/35/260207535.db2.gz	AZRHCQPIXYKDFS-AAEUAGOBSA-N	1	0	267.463	4.619	20	30		CJEDRO
C=CCCCC[NH2+][C@@H]1C[C@H](C)Sc2sccc21	ZINC000310107635	260207312	/nfs/dbraw/zinc/20/73/12/260207312.db2.gz	AZRHCQPIXYKDFS-WCQYABFASA-N	1	0	267.463	4.619	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H](C)c1cnc2ccsc2c1	ZINC000311819923	333072742	/nfs/dbraw/zinc/07/27/42/333072742.db2.gz	DPFUDQURDAAOOW-GFCCVEGCSA-N	1	0	274.433	4.549	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H](C)c1cnc2ccsc2c1	ZINC000311819927	333072893	/nfs/dbraw/zinc/07/28/93/333072893.db2.gz	DPFUDQURDAAOOW-LBPRGKRZSA-N	1	0	274.433	4.549	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@H]1CCCCC12CCCC2	ZINC000312537399	260143003	/nfs/dbraw/zinc/14/30/03/260143003.db2.gz	KQPMUHWBESITME-INIZCTEOSA-N	1	0	276.468	4.799	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H]1CCCCC12CCCC2	ZINC000312537400	260143133	/nfs/dbraw/zinc/14/31/33/260143133.db2.gz	KQPMUHWBESITME-MRXNPFEDSA-N	1	0	276.468	4.799	20	30		CJEDRO
CCCCc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000314778679	266022845	/nfs/dbraw/zinc/02/28/45/266022845.db2.gz	XSCCYPAYCMUQSD-INIZCTEOSA-N	1	0	292.426	4.752	20	30		CJEDRO
CCCCc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1	ZINC000314778684	266022803	/nfs/dbraw/zinc/02/28/03/266022803.db2.gz	XSCCYPAYCMUQSD-MRXNPFEDSA-N	1	0	292.426	4.752	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000315403469	330475615	/nfs/dbraw/zinc/47/56/15/330475615.db2.gz	GPZUEMDUFQNUSA-AUUYWEPGSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000315403472	330475575	/nfs/dbraw/zinc/47/55/75/330475575.db2.gz	GPZUEMDUFQNUSA-IFXJQAMLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000315403474	330475580	/nfs/dbraw/zinc/47/55/80/330475580.db2.gz	GPZUEMDUFQNUSA-KUHUBIRLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000315403477	330475618	/nfs/dbraw/zinc/47/56/18/330475618.db2.gz	GPZUEMDUFQNUSA-LIRRHRJNSA-N	1	0	296.389	4.745	20	30		CJEDRO
CCCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000315575001	330478102	/nfs/dbraw/zinc/47/81/02/330478102.db2.gz	PYSMKRSMXPIUIC-HOTGVXAUSA-N	1	0	292.426	4.923	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1	ZINC000315580855	330477770	/nfs/dbraw/zinc/47/77/70/330477770.db2.gz	MZMJUPQXVYMQIK-OAHLLOKOSA-N	1	0	292.426	4.707	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000315746767	333383531	/nfs/dbraw/zinc/38/35/31/333383531.db2.gz	OUBMRTXKCKIYIK-JXFKEZNVSA-N	1	0	292.426	4.996	20	30		CJEDRO
CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000315746777	333383474	/nfs/dbraw/zinc/38/34/74/333383474.db2.gz	OUBMRTXKCKIYIK-OXJNMPFZSA-N	1	0	292.426	4.996	20	30		CJEDRO
CC(C)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000315746787	333383404	/nfs/dbraw/zinc/38/34/04/333383404.db2.gz	OUBMRTXKCKIYIK-OXQOHEQNSA-N	1	0	292.426	4.996	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1	ZINC000315746795	333383490	/nfs/dbraw/zinc/38/34/90/333383490.db2.gz	OUBMRTXKCKIYIK-UZLBHIALSA-N	1	0	292.426	4.996	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc1	ZINC000315772410	333383615	/nfs/dbraw/zinc/38/36/15/333383615.db2.gz	UAIDASIBLUDZEC-HXUWFJFHSA-N	1	0	295.426	4.738	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000315876366	333384081	/nfs/dbraw/zinc/38/40/81/333384081.db2.gz	NXECTWMVPXZHHP-AUUYWEPGSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000315876368	333384104	/nfs/dbraw/zinc/38/41/04/333384104.db2.gz	NXECTWMVPXZHHP-IFXJQAMLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000315876371	333384210	/nfs/dbraw/zinc/38/42/10/333384210.db2.gz	NXECTWMVPXZHHP-KUHUBIRLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000315876374	333384186	/nfs/dbraw/zinc/38/41/86/333384186.db2.gz	NXECTWMVPXZHHP-LIRRHRJNSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1	ZINC000315882893	333384251	/nfs/dbraw/zinc/38/42/51/333384251.db2.gz	OOBIDUZKVPGLPP-INIZCTEOSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1	ZINC000315882894	333384159	/nfs/dbraw/zinc/38/41/59/333384159.db2.gz	OOBIDUZKVPGLPP-MRXNPFEDSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1	ZINC000315891340	333384393	/nfs/dbraw/zinc/38/43/93/333384393.db2.gz	PQYALVOXLFKBIL-IBGZPJMESA-N	1	0	292.426	4.825	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1	ZINC000315891343	333384360	/nfs/dbraw/zinc/38/43/60/333384360.db2.gz	PQYALVOXLFKBIL-LJQANCHMSA-N	1	0	292.426	4.825	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1	ZINC000315938321	333384711	/nfs/dbraw/zinc/38/47/11/333384711.db2.gz	WRINFNIEZBKJMB-BEFAXECRSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1	ZINC000315938323	333384586	/nfs/dbraw/zinc/38/45/86/333384586.db2.gz	WRINFNIEZBKJMB-DNVCBOLYSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1	ZINC000315938326	333384705	/nfs/dbraw/zinc/38/47/05/333384705.db2.gz	WRINFNIEZBKJMB-HNAYVOBHSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccc(C#N)cc1	ZINC000315938329	333384582	/nfs/dbraw/zinc/38/45/82/333384582.db2.gz	WRINFNIEZBKJMB-KXBFYZLASA-N	1	0	292.426	4.996	20	30		CJEDRO
CC(C)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1	ZINC000316272805	333387727	/nfs/dbraw/zinc/38/77/27/333387727.db2.gz	GWSYGIVAIRWZNX-INIZCTEOSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC(C)Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1	ZINC000316272807	333387563	/nfs/dbraw/zinc/38/75/63/333387563.db2.gz	GWSYGIVAIRWZNX-MRXNPFEDSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C(c1ccccc1)c1ccccc1	ZINC000317663580	260333544	/nfs/dbraw/zinc/33/35/44/260333544.db2.gz	AHMFJFTWHRTXRQ-UHFFFAOYSA-N	1	0	292.426	4.696	20	30		CJEDRO
C/C(=C/c1ccccc1)C[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000337255775	327952419	/nfs/dbraw/zinc/95/24/19/327952419.db2.gz	NAMVIRMHZFUFHA-DNCJFXNASA-N	1	0	290.410	4.725	20	30		CJEDRO
C/C(=C/c1ccccc1)C[NH2+][C@H](CCC#N)c1ccccc1	ZINC000337255776	327952288	/nfs/dbraw/zinc/95/22/88/327952288.db2.gz	NAMVIRMHZFUFHA-HQSFBDMMSA-N	1	0	290.410	4.725	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccsc1C)c1ccccc1	ZINC000339317337	328005918	/nfs/dbraw/zinc/00/59/18/328005918.db2.gz	SCSMNJFZZVUXOV-KRWDZBQOSA-N	1	0	271.429	4.854	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccsc1C)c1ccccc1	ZINC000339317358	328005965	/nfs/dbraw/zinc/00/59/65/328005965.db2.gz	SCSMNJFZZVUXOV-QGZVFWFLSA-N	1	0	271.429	4.854	20	30		CJEDRO
N#CCCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F	ZINC000340185399	328244901	/nfs/dbraw/zinc/24/49/01/328244901.db2.gz	FGZWFAQAUICPSM-HNNXBMFYSA-N	1	0	296.336	4.536	20	30		CJEDRO
N#CCCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000340185400	328244994	/nfs/dbraw/zinc/24/49/94/328244994.db2.gz	FGZWFAQAUICPSM-OAHLLOKOSA-N	1	0	296.336	4.536	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C2CC2)c1	ZINC000340396616	328272327	/nfs/dbraw/zinc/27/23/27/328272327.db2.gz	XUGIUGCLEKGLGJ-AWEZNQCLSA-N	1	0	270.420	4.545	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C2CC2)c1	ZINC000340396623	328272328	/nfs/dbraw/zinc/27/23/28/328272328.db2.gz	XUGIUGCLEKGLGJ-CQSZACIVSA-N	1	0	270.420	4.545	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H]1C	ZINC000340430994	263141998	/nfs/dbraw/zinc/14/19/98/263141998.db2.gz	BFAIXEPSFWQOCK-FPAYPSAMSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H]1C	ZINC000340430995	263142073	/nfs/dbraw/zinc/14/20/73/263142073.db2.gz	BFAIXEPSFWQOCK-KCITZHQASA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H]1C	ZINC000340430997	263141959	/nfs/dbraw/zinc/14/19/59/263141959.db2.gz	BFAIXEPSFWQOCK-NEPXVJNWSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@H]1C	ZINC000340430998	263142045	/nfs/dbraw/zinc/14/20/45/263142045.db2.gz	BFAIXEPSFWQOCK-ZAWLATJESA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H](CCC(F)(F)F)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340432433	263143473	/nfs/dbraw/zinc/14/34/73/263143473.db2.gz	NKTWCGHUUHHUOT-DZGCQCFKSA-N	1	0	298.352	4.742	20	30		CJEDRO
C[C@H](CCC(F)(F)F)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340432441	263143489	/nfs/dbraw/zinc/14/34/89/263143489.db2.gz	NKTWCGHUUHHUOT-HIFRSBDPSA-N	1	0	298.352	4.742	20	30		CJEDRO
C[C@H](CCC(F)(F)F)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340432443	263143480	/nfs/dbraw/zinc/14/34/80/263143480.db2.gz	NKTWCGHUUHHUOT-UKRRQHHQSA-N	1	0	298.352	4.742	20	30		CJEDRO
C[C@@H](CCC(F)(F)F)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340432446	263143600	/nfs/dbraw/zinc/14/36/00/263143600.db2.gz	NKTWCGHUUHHUOT-ZFWWWQNUSA-N	1	0	298.352	4.742	20	30		CJEDRO
CCC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000340433660	263143544	/nfs/dbraw/zinc/14/35/44/263143544.db2.gz	QAKSGABCFDXQJG-KVZIAJEVSA-N	1	0	284.447	4.980	20	30		CJEDRO
CCC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000340433668	263143601	/nfs/dbraw/zinc/14/36/01/263143601.db2.gz	QAKSGABCFDXQJG-NKELODKYSA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@H]1CC([NH2+][C@H](CCCC#N)c2ccccc2)C[C@H](C)C1	ZINC000340437643	263147685	/nfs/dbraw/zinc/14/76/85/263147685.db2.gz	VQHSQVXXWGNBGH-GPMSIDNRSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H](C)C1	ZINC000340437645	263147705	/nfs/dbraw/zinc/14/77/05/263147705.db2.gz	VQHSQVXXWGNBGH-ISARSNTHSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H](C)C1	ZINC000340437646	263147838	/nfs/dbraw/zinc/14/78/38/263147838.db2.gz	VQHSQVXXWGNBGH-KCITZHQASA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@H]1CC([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H](C)C1	ZINC000340437648	263147670	/nfs/dbraw/zinc/14/76/70/263147670.db2.gz	VQHSQVXXWGNBGH-MDZRGWNJSA-N	1	0	284.447	4.836	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340437979	263147826	/nfs/dbraw/zinc/14/78/26/263147826.db2.gz	XLTALTSICYXMIH-BQFCYCMXSA-N	1	0	270.420	4.612	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340437980	263147684	/nfs/dbraw/zinc/14/76/84/263147684.db2.gz	XLTALTSICYXMIH-JZXOWHBKSA-N	1	0	270.420	4.612	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340437981	263147796	/nfs/dbraw/zinc/14/77/96/263147796.db2.gz	XLTALTSICYXMIH-LZLYRXPVSA-N	1	0	270.420	4.612	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340437982	263147773	/nfs/dbraw/zinc/14/77/73/263147773.db2.gz	XLTALTSICYXMIH-XYJFISCASA-N	1	0	270.420	4.612	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000340438104	263149189	/nfs/dbraw/zinc/14/91/89/263149189.db2.gz	YXYQOWRQWODPJI-BEFAXECRSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000340438109	263149233	/nfs/dbraw/zinc/14/92/33/263149233.db2.gz	YXYQOWRQWODPJI-DNVCBOLYSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000340438111	263149122	/nfs/dbraw/zinc/14/91/22/263149122.db2.gz	YXYQOWRQWODPJI-HNAYVOBHSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000340438264	263149230	/nfs/dbraw/zinc/14/92/30/263149230.db2.gz	YXYQOWRQWODPJI-KXBFYZLASA-N	1	0	296.389	4.911	20	30		CJEDRO
CC1(C)CCC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340438878	263149754	/nfs/dbraw/zinc/14/97/54/263149754.db2.gz	AZPWTKFGOGNSAY-MSOLQXFVSA-N	1	0	284.447	4.980	20	30		CJEDRO
CC1(C)CCC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340438895	263149820	/nfs/dbraw/zinc/14/98/20/263149820.db2.gz	AZPWTKFGOGNSAY-QZTJIDSGSA-N	1	0	284.447	4.980	20	30		CJEDRO
CC1(C)CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340438908	263149823	/nfs/dbraw/zinc/14/98/23/263149823.db2.gz	AZPWTKFGOGNSAY-ROUUACIJSA-N	1	0	284.447	4.980	20	30		CJEDRO
CC1(C)CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340438919	263149757	/nfs/dbraw/zinc/14/97/57/263149757.db2.gz	AZPWTKFGOGNSAY-ZWKOTPCHSA-N	1	0	284.447	4.980	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)o1	ZINC000340440108	328277699	/nfs/dbraw/zinc/27/76/99/328277699.db2.gz	CDZAJFQMOKWYJY-BEFAXECRSA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)o1	ZINC000340440120	328277677	/nfs/dbraw/zinc/27/76/77/328277677.db2.gz	CDZAJFQMOKWYJY-DNVCBOLYSA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(C)o1	ZINC000340440139	263149267	/nfs/dbraw/zinc/14/92/67/263149267.db2.gz	CDZAJFQMOKWYJY-HNAYVOBHSA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)o1	ZINC000340440169	263149329	/nfs/dbraw/zinc/14/93/29/263149329.db2.gz	CDZAJFQMOKWYJY-KXBFYZLASA-N	1	0	296.414	4.982	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000340440843	263150547	/nfs/dbraw/zinc/15/05/47/263150547.db2.gz	CYDZJNVRXJPVQX-APWZRJJASA-N	1	0	278.399	4.772	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000340440844	263150479	/nfs/dbraw/zinc/15/04/79/263150479.db2.gz	CYDZJNVRXJPVQX-LPHOPBHVSA-N	1	0	278.399	4.772	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000340440845	263150522	/nfs/dbraw/zinc/15/05/22/263150522.db2.gz	CYDZJNVRXJPVQX-QFBILLFUSA-N	1	0	278.399	4.772	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000340440846	263150669	/nfs/dbraw/zinc/15/06/69/263150669.db2.gz	CYDZJNVRXJPVQX-VQIMIIECSA-N	1	0	278.399	4.772	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@@H]1C	ZINC000340442332	328278394	/nfs/dbraw/zinc/27/83/94/328278394.db2.gz	FKPBCVFSWGPTEE-FPAYPSAMSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@H]1C	ZINC000340442338	263151826	/nfs/dbraw/zinc/15/18/26/263151826.db2.gz	FKPBCVFSWGPTEE-KCITZHQASA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@H]1C	ZINC000340442340	263151917	/nfs/dbraw/zinc/15/19/17/263151917.db2.gz	FKPBCVFSWGPTEE-NEPXVJNWSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@@H]1C	ZINC000340442344	263151866	/nfs/dbraw/zinc/15/18/66/263151866.db2.gz	FKPBCVFSWGPTEE-ZAWLATJESA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1F	ZINC000340443222	328277978	/nfs/dbraw/zinc/27/79/78/328277978.db2.gz	FOKSWNCWQTYNKP-BEFAXECRSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1F	ZINC000340443224	328278002	/nfs/dbraw/zinc/27/80/02/328278002.db2.gz	FOKSWNCWQTYNKP-DNVCBOLYSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1F	ZINC000340443226	328277954	/nfs/dbraw/zinc/27/79/54/328277954.db2.gz	FOKSWNCWQTYNKP-HNAYVOBHSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1F	ZINC000340443227	328277967	/nfs/dbraw/zinc/27/79/67/328277967.db2.gz	FOKSWNCWQTYNKP-KXBFYZLASA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340443281	328277991	/nfs/dbraw/zinc/27/79/91/328277991.db2.gz	FYTCZCYKJSGCOH-BPQIPLTHSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]1CCC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340443287	328277919	/nfs/dbraw/zinc/27/79/19/328277919.db2.gz	FYTCZCYKJSGCOH-KBAYOESNSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340443288	328277997	/nfs/dbraw/zinc/27/79/97/328277997.db2.gz	FYTCZCYKJSGCOH-NJAFHUGGSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]1CCC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340443289	328278108	/nfs/dbraw/zinc/27/81/08/328278108.db2.gz	FYTCZCYKJSGCOH-NXHRZFHOSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340444170	263151531	/nfs/dbraw/zinc/15/15/31/263151531.db2.gz	GSHDSJLGMIYDCA-GDBMZVCRSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340444175	263151617	/nfs/dbraw/zinc/15/16/17/263151617.db2.gz	GSHDSJLGMIYDCA-GOEBONIOSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340444176	328278197	/nfs/dbraw/zinc/27/81/97/328278197.db2.gz	GSHDSJLGMIYDCA-HOCLYGCPSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccs1	ZINC000340444178	328278299	/nfs/dbraw/zinc/27/82/99/328278299.db2.gz	GSHDSJLGMIYDCA-ZBFHGGJFSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340444214	328278220	/nfs/dbraw/zinc/27/82/20/328278220.db2.gz	GYTZTYFZSWGFED-BPQIPLTHSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340444215	328278271	/nfs/dbraw/zinc/27/82/71/328278271.db2.gz	GYTZTYFZSWGFED-KBAYOESNSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340444216	328278245	/nfs/dbraw/zinc/27/82/45/328278245.db2.gz	GYTZTYFZSWGFED-NJAFHUGGSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340444217	328278246	/nfs/dbraw/zinc/27/82/46/328278246.db2.gz	GYTZTYFZSWGFED-NXHRZFHOSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@H](CCC1CC1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340445612	263152001	/nfs/dbraw/zinc/15/20/01/263152001.db2.gz	FVOPECATJQSFDC-CRAIPNDOSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H](CCC1CC1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340445614	263152127	/nfs/dbraw/zinc/15/21/27/263152127.db2.gz	FVOPECATJQSFDC-MAUKXSAKSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@H](CCC1CC1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340445615	263151947	/nfs/dbraw/zinc/15/19/47/263151947.db2.gz	FVOPECATJQSFDC-QAPCUYQASA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H](CCC1CC1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340445617	263152194	/nfs/dbraw/zinc/15/21/94/263152194.db2.gz	FVOPECATJQSFDC-YJBOKZPZSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340446018	263152483	/nfs/dbraw/zinc/15/24/83/263152483.db2.gz	MZOJOFMZUIHRHF-DLBZAZTESA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1	ZINC000340446019	263152454	/nfs/dbraw/zinc/15/24/54/263152454.db2.gz	MZOJOFMZUIHRHF-IAGOWNOFSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340446020	263152497	/nfs/dbraw/zinc/15/24/97/263152497.db2.gz	MZOJOFMZUIHRHF-IRXDYDNUSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000340446021	263152469	/nfs/dbraw/zinc/15/24/69/263152469.db2.gz	MZOJOFMZUIHRHF-SJORKVTESA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000340447904	263154146	/nfs/dbraw/zinc/15/41/46/263154146.db2.gz	HNCWGFALTPXJLF-VJFUWPCTSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000340447905	263154168	/nfs/dbraw/zinc/15/41/68/263154168.db2.gz	HNCWGFALTPXJLF-VMWRSERWSA-N	1	0	270.420	4.590	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1	ZINC000340447942	263154398	/nfs/dbraw/zinc/15/43/98/263154398.db2.gz	HXNHXJTXSPMQTN-GOSISDBHSA-N	1	0	282.431	4.734	20	30		CJEDRO
N#CCCC[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1	ZINC000340447943	263154319	/nfs/dbraw/zinc/15/43/19/263154319.db2.gz	HXNHXJTXSPMQTN-SFHVURJKSA-N	1	0	282.431	4.734	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)o1	ZINC000340447993	263154236	/nfs/dbraw/zinc/15/42/36/263154236.db2.gz	QNPVIECFGMDBMW-DOTOQJQBSA-N	1	0	282.387	4.674	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)o1	ZINC000340447995	263154115	/nfs/dbraw/zinc/15/41/15/263154115.db2.gz	QNPVIECFGMDBMW-NVXWUHKLSA-N	1	0	282.387	4.674	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)o1	ZINC000340447997	263154324	/nfs/dbraw/zinc/15/43/24/263154324.db2.gz	QNPVIECFGMDBMW-RDJZCZTQSA-N	1	0	282.387	4.674	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)o1	ZINC000340447999	263154242	/nfs/dbraw/zinc/15/42/42/263154242.db2.gz	QNPVIECFGMDBMW-WBVHZDCISA-N	1	0	282.387	4.674	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1	ZINC000340448023	263154436	/nfs/dbraw/zinc/15/44/36/263154436.db2.gz	QRWANZWDJMATMJ-CEXWTWQISA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1	ZINC000340448025	263154332	/nfs/dbraw/zinc/15/43/32/263154332.db2.gz	QRWANZWDJMATMJ-FHWLQOOXSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1	ZINC000340448027	263154337	/nfs/dbraw/zinc/15/43/37/263154337.db2.gz	QRWANZWDJMATMJ-GBESFXJTSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1	ZINC000340448029	263154406	/nfs/dbraw/zinc/15/44/06/263154406.db2.gz	QRWANZWDJMATMJ-QYZOEREBSA-N	1	0	282.431	4.590	20	30		CJEDRO
CC(C)CC[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340449075	263155389	/nfs/dbraw/zinc/15/53/89/263155389.db2.gz	KQSREUAVFOYYAK-AEFFLSMTSA-N	1	0	272.436	4.836	20	30		CJEDRO
CC(C)CC[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340449076	263155345	/nfs/dbraw/zinc/15/53/45/263155345.db2.gz	KQSREUAVFOYYAK-FUHWJXTLSA-N	1	0	272.436	4.836	20	30		CJEDRO
CC(C)CC[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340449077	263155186	/nfs/dbraw/zinc/15/51/86/263155186.db2.gz	KQSREUAVFOYYAK-SJLPKXTDSA-N	1	0	272.436	4.836	20	30		CJEDRO
CC(C)CC[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340449078	263155299	/nfs/dbraw/zinc/15/52/99/263155299.db2.gz	KQSREUAVFOYYAK-WMZOPIPTSA-N	1	0	272.436	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@H](C)C1	ZINC000340449231	263155220	/nfs/dbraw/zinc/15/52/20/263155220.db2.gz	LKSVZCPWSVFCEQ-FPAYPSAMSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@@H](C)C1	ZINC000340449258	263155307	/nfs/dbraw/zinc/15/53/07/263155307.db2.gz	LKSVZCPWSVFCEQ-KCITZHQASA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@@H](C)C1	ZINC000340449275	263155382	/nfs/dbraw/zinc/15/53/82/263155382.db2.gz	LKSVZCPWSVFCEQ-NEPXVJNWSA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@H](C)C1	ZINC000340449295	263155268	/nfs/dbraw/zinc/15/52/68/263155268.db2.gz	LKSVZCPWSVFCEQ-ZAWLATJESA-N	1	0	284.447	4.836	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000340449779	263154534	/nfs/dbraw/zinc/15/45/34/263154534.db2.gz	WWUIDLDCEPWRMS-PBHICJAKSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000340449781	263154586	/nfs/dbraw/zinc/15/45/86/263154586.db2.gz	WWUIDLDCEPWRMS-RHSMWYFYSA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000340449783	263154546	/nfs/dbraw/zinc/15/45/46/263154546.db2.gz	WWUIDLDCEPWRMS-WMLDXEAASA-N	1	0	284.428	4.834	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccsc1	ZINC000340449793	263154597	/nfs/dbraw/zinc/15/45/97/263154597.db2.gz	WWUIDLDCEPWRMS-YOEHRIQHSA-N	1	0	284.428	4.834	20	30		CJEDRO
CCCC[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450332	263154622	/nfs/dbraw/zinc/15/46/22/263154622.db2.gz	XJJLCCMTYXPBNS-DOTOQJQBSA-N	1	0	258.409	4.590	20	30		CJEDRO
CCCC[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450333	263154567	/nfs/dbraw/zinc/15/45/67/263154567.db2.gz	XJJLCCMTYXPBNS-NVXWUHKLSA-N	1	0	258.409	4.590	20	30		CJEDRO
CCCC[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340450334	263154592	/nfs/dbraw/zinc/15/45/92/263154592.db2.gz	XJJLCCMTYXPBNS-RDJZCZTQSA-N	1	0	258.409	4.590	20	30		CJEDRO
CCCC[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340450335	263154713	/nfs/dbraw/zinc/15/47/13/263154713.db2.gz	XJJLCCMTYXPBNS-WBVHZDCISA-N	1	0	258.409	4.590	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)oc1C	ZINC000340450345	263154617	/nfs/dbraw/zinc/15/46/17/263154617.db2.gz	XNCWRRGIZGPBNA-CRAIPNDOSA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)oc1C	ZINC000340450346	263154549	/nfs/dbraw/zinc/15/45/49/263154549.db2.gz	XNCWRRGIZGPBNA-MAUKXSAKSA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)oc1C	ZINC000340450347	263154588	/nfs/dbraw/zinc/15/45/88/263154588.db2.gz	XNCWRRGIZGPBNA-QAPCUYQASA-N	1	0	296.414	4.982	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)oc1C	ZINC000340450348	263154532	/nfs/dbraw/zinc/15/45/32/263154532.db2.gz	XNCWRRGIZGPBNA-YJBOKZPZSA-N	1	0	296.414	4.982	20	30		CJEDRO
CC1(C)CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000340450429	263155073	/nfs/dbraw/zinc/15/50/73/263155073.db2.gz	MZGGBFMGAQSQLT-GOSISDBHSA-N	1	0	284.447	4.980	20	30		CJEDRO
CC1(C)CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000340450430	263155095	/nfs/dbraw/zinc/15/50/95/263155095.db2.gz	MZGGBFMGAQSQLT-SFHVURJKSA-N	1	0	284.447	4.980	20	30		CJEDRO
CCC[C@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450493	263155139	/nfs/dbraw/zinc/15/51/39/263155139.db2.gz	NCYLTYFVENKEJR-DLBZAZTESA-N	1	0	258.409	4.590	20	30		CJEDRO
CCC[C@@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450498	263155094	/nfs/dbraw/zinc/15/50/94/263155094.db2.gz	NCYLTYFVENKEJR-IAGOWNOFSA-N	1	0	258.409	4.590	20	30		CJEDRO
CCC[C@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340450500	263155025	/nfs/dbraw/zinc/15/50/25/263155025.db2.gz	NCYLTYFVENKEJR-IRXDYDNUSA-N	1	0	258.409	4.590	20	30		CJEDRO
CCC[C@@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340450504	263155143	/nfs/dbraw/zinc/15/51/43/263155143.db2.gz	NCYLTYFVENKEJR-SJORKVTESA-N	1	0	258.409	4.590	20	30		CJEDRO
C[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450692	328279026	/nfs/dbraw/zinc/27/90/26/328279026.db2.gz	NVEINLPREARJPP-BPQIPLTHSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]1CCCC[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340450693	328279074	/nfs/dbraw/zinc/27/90/74/328279074.db2.gz	NVEINLPREARJPP-KBAYOESNSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340450694	328279045	/nfs/dbraw/zinc/27/90/45/328279045.db2.gz	NVEINLPREARJPP-NJAFHUGGSA-N	1	0	270.420	4.590	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@H]1CCC12CCCC2)c1ccccc1	ZINC000340450975	328279174	/nfs/dbraw/zinc/27/91/74/328279174.db2.gz	YSJHRRYQSBBGQC-MSOLQXFVSA-N	1	0	282.431	4.734	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1ccccc1	ZINC000340450976	328279182	/nfs/dbraw/zinc/27/91/82/328279182.db2.gz	YSJHRRYQSBBGQC-QZTJIDSGSA-N	1	0	282.431	4.734	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CCC12CCCC2)c1ccccc1	ZINC000340450977	328279164	/nfs/dbraw/zinc/27/91/64/328279164.db2.gz	YSJHRRYQSBBGQC-ROUUACIJSA-N	1	0	282.431	4.734	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CCC12CCCC2)c1ccccc1	ZINC000340450978	328279179	/nfs/dbraw/zinc/27/91/79/328279179.db2.gz	YSJHRRYQSBBGQC-ZWKOTPCHSA-N	1	0	282.431	4.734	20	30		CJEDRO
C[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340451531	263155967	/nfs/dbraw/zinc/15/59/67/263155967.db2.gz	NVEINLPREARJPP-NXHRZFHOSA-N	1	0	270.420	4.590	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340451614	263156002	/nfs/dbraw/zinc/15/60/02/263156002.db2.gz	OOLLTZGHHUKLDA-MSOLQXFVSA-N	1	0	270.420	4.756	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340451627	263156074	/nfs/dbraw/zinc/15/60/74/263156074.db2.gz	OOLLTZGHHUKLDA-QZTJIDSGSA-N	1	0	270.420	4.756	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340451629	263155899	/nfs/dbraw/zinc/15/58/99/263155899.db2.gz	OOLLTZGHHUKLDA-ROUUACIJSA-N	1	0	270.420	4.756	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340451630	263155824	/nfs/dbraw/zinc/15/58/24/263155824.db2.gz	OOLLTZGHHUKLDA-ZWKOTPCHSA-N	1	0	270.420	4.756	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1	ZINC000340452993	263155706	/nfs/dbraw/zinc/15/57/06/263155706.db2.gz	PZZCPDDCBPGXST-MSOLQXFVSA-N	1	0	294.398	4.682	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1	ZINC000340452994	263155695	/nfs/dbraw/zinc/15/56/95/263155695.db2.gz	PZZCPDDCBPGXST-QZTJIDSGSA-N	1	0	294.398	4.682	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CCCc2occc21)c1ccccc1	ZINC000340452995	263155682	/nfs/dbraw/zinc/15/56/82/263155682.db2.gz	PZZCPDDCBPGXST-ROUUACIJSA-N	1	0	294.398	4.682	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1	ZINC000340452996	263155680	/nfs/dbraw/zinc/15/56/80/263155680.db2.gz	PZZCPDDCBPGXST-ZWKOTPCHSA-N	1	0	294.398	4.682	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCCC1	ZINC000340453040	263155665	/nfs/dbraw/zinc/15/56/65/263155665.db2.gz	QVIZWDLXZDAQEC-CRAIPNDOSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCCC1	ZINC000340453041	263155714	/nfs/dbraw/zinc/15/57/14/263155714.db2.gz	QVIZWDLXZDAQEC-MAUKXSAKSA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCC1	ZINC000340453042	263155669	/nfs/dbraw/zinc/15/56/69/263155669.db2.gz	QVIZWDLXZDAQEC-QAPCUYQASA-N	1	0	270.420	4.590	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCC1	ZINC000340453043	263155510	/nfs/dbraw/zinc/15/55/10/263155510.db2.gz	QVIZWDLXZDAQEC-YJBOKZPZSA-N	1	0	270.420	4.590	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]C1CCCCCC1)c1ccccc1	ZINC000340453055	263157636	/nfs/dbraw/zinc/15/76/36/263157636.db2.gz	REGORVBNFJRIGM-GOSISDBHSA-N	1	0	270.420	4.734	20	30		CJEDRO
N#CCCC[C@H]([NH2+]C1CCCCCC1)c1ccccc1	ZINC000340453056	263157404	/nfs/dbraw/zinc/15/74/04/263157404.db2.gz	REGORVBNFJRIGM-SFHVURJKSA-N	1	0	270.420	4.734	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000340453928	263157171	/nfs/dbraw/zinc/15/71/71/263157171.db2.gz	SAMYKQRHWPVEPL-AABGKKOBSA-N	1	0	296.458	4.980	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)c1ccccc1	ZINC000340453929	263157104	/nfs/dbraw/zinc/15/71/04/263157104.db2.gz	SAMYKQRHWPVEPL-AQNXPRMDSA-N	1	0	296.458	4.980	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000340453930	263157136	/nfs/dbraw/zinc/15/71/36/263157136.db2.gz	SAMYKQRHWPVEPL-UFYCRDLUSA-N	1	0	296.458	4.980	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1	ZINC000340453931	263156929	/nfs/dbraw/zinc/15/69/29/263156929.db2.gz	SAMYKQRHWPVEPL-ZCNNSNEGSA-N	1	0	296.458	4.980	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)o1	ZINC000340454932	263158240	/nfs/dbraw/zinc/15/82/40/263158240.db2.gz	TXOKKEKKIZZKJS-CRAIPNDOSA-N	1	0	296.414	4.928	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)o1	ZINC000340454933	263158089	/nfs/dbraw/zinc/15/80/89/263158089.db2.gz	TXOKKEKKIZZKJS-MAUKXSAKSA-N	1	0	296.414	4.928	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)o1	ZINC000340454934	263158198	/nfs/dbraw/zinc/15/81/98/263158198.db2.gz	TXOKKEKKIZZKJS-QAPCUYQASA-N	1	0	296.414	4.928	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)o1	ZINC000340454935	263158109	/nfs/dbraw/zinc/15/81/09/263158109.db2.gz	TXOKKEKKIZZKJS-YJBOKZPZSA-N	1	0	296.414	4.928	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1	ZINC000340457913	263158743	/nfs/dbraw/zinc/15/87/43/263158743.db2.gz	WPLKOSFKZCTSGC-PMACEKPBSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1	ZINC000340457916	263158777	/nfs/dbraw/zinc/15/87/77/263158777.db2.gz	WPLKOSFKZCTSGC-UXHICEINSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCCC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1	ZINC000340457919	263158835	/nfs/dbraw/zinc/15/88/35/263158835.db2.gz	WPLKOSFKZCTSGC-VQTJNVASSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCCC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1	ZINC000340457923	263158919	/nfs/dbraw/zinc/15/89/19/263158919.db2.gz	WPLKOSFKZCTSGC-WOJBJXKFSA-N	1	0	290.410	4.699	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1	ZINC000340460991	263160335	/nfs/dbraw/zinc/16/03/35/263160335.db2.gz	YPGNMUYCEVZYPP-BEFAXECRSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1	ZINC000340461004	263160270	/nfs/dbraw/zinc/16/02/70/263160270.db2.gz	YPGNMUYCEVZYPP-DNVCBOLYSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(F)c1	ZINC000340461027	263160272	/nfs/dbraw/zinc/16/02/72/263160272.db2.gz	YPGNMUYCEVZYPP-HNAYVOBHSA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(F)c1	ZINC000340461037	263160245	/nfs/dbraw/zinc/16/02/45/263160245.db2.gz	YPGNMUYCEVZYPP-KXBFYZLASA-N	1	0	296.389	4.911	20	30		CJEDRO
C[C@H](CC1CCCC1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340461445	263161449	/nfs/dbraw/zinc/16/14/49/263161449.db2.gz	ZIFMOTSEETZZPS-APWZRJJASA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@@H](CC1CCCC1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000340461449	263161348	/nfs/dbraw/zinc/16/13/48/263161348.db2.gz	ZIFMOTSEETZZPS-LPHOPBHVSA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@@H](CC1CCCC1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340461453	263161333	/nfs/dbraw/zinc/16/13/33/263161333.db2.gz	ZIFMOTSEETZZPS-QFBILLFUSA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@H](CC1CCCC1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000340461455	263161271	/nfs/dbraw/zinc/16/12/71/263161271.db2.gz	ZIFMOTSEETZZPS-VQIMIIECSA-N	1	0	284.447	4.980	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccccc1	ZINC000340532138	263188073	/nfs/dbraw/zinc/18/80/73/263188073.db2.gz	KHXAMECMYGLSQW-KBXCAEBGSA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1ccncc1F)c1ccccc1	ZINC000340532152	263188037	/nfs/dbraw/zinc/18/80/37/263188037.db2.gz	KHXAMECMYGLSQW-KDOFPFPSSA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccccc1	ZINC000340532155	263188154	/nfs/dbraw/zinc/18/81/54/263188154.db2.gz	KHXAMECMYGLSQW-KSSFIOAISA-N	1	0	284.378	4.579	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccccc1	ZINC000340532156	263187809	/nfs/dbraw/zinc/18/78/09/263187809.db2.gz	KHXAMECMYGLSQW-RDTXWAMCSA-N	1	0	284.378	4.579	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1	ZINC000341584794	263344069	/nfs/dbraw/zinc/34/40/69/263344069.db2.gz	FTURHJQHPCWBCA-AWEZNQCLSA-N	1	0	298.352	4.600	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](CC(F)(F)F)c1ccccc1	ZINC000341584815	263343866	/nfs/dbraw/zinc/34/38/66/263343866.db2.gz	FTURHJQHPCWBCA-CQSZACIVSA-N	1	0	298.352	4.600	20	30		CJEDRO
CCC[C@H]([NH2+]CCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000341639309	263345034	/nfs/dbraw/zinc/34/50/34/263345034.db2.gz	OOMIZTYMOWIDDJ-AWEZNQCLSA-N	1	0	285.218	4.728	20	30		CJEDRO
CCC[C@@H]([NH2+]CCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000341639351	263345204	/nfs/dbraw/zinc/34/52/04/263345204.db2.gz	OOMIZTYMOWIDDJ-CQSZACIVSA-N	1	0	285.218	4.728	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1	ZINC000341714506	535946395	/nfs/dbraw/zinc/94/63/95/535946395.db2.gz	TYHKGZNFYWJRGO-PMACEKPBSA-N	1	0	290.410	4.677	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1	ZINC000341714507	535808954	/nfs/dbraw/zinc/80/89/54/535808954.db2.gz	TYHKGZNFYWJRGO-UXHICEINSA-N	1	0	290.410	4.677	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1	ZINC000341762950	130028396	/nfs/dbraw/zinc/02/83/96/130028396.db2.gz	WGQGKCUHJVTGOZ-CXAGYDPISA-N	1	0	296.439	4.656	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1	ZINC000341762951	130028352	/nfs/dbraw/zinc/02/83/52/130028352.db2.gz	WGQGKCUHJVTGOZ-DYVFJYSZSA-N	1	0	296.439	4.656	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1	ZINC000341762952	130028458	/nfs/dbraw/zinc/02/84/58/130028458.db2.gz	WGQGKCUHJVTGOZ-GUYCJALGSA-N	1	0	296.439	4.656	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1	ZINC000341762953	130027675	/nfs/dbraw/zinc/02/76/75/130027675.db2.gz	WGQGKCUHJVTGOZ-SUMWQHHRSA-N	1	0	296.439	4.656	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]CCCC#N)c1ccc(Cl)cc1	ZINC000341848180	263358853	/nfs/dbraw/zinc/35/88/53/263358853.db2.gz	RTZMRBODAYEQGH-HNNXBMFYSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]CCCC#N)c1ccc(Cl)cc1	ZINC000341848186	263358761	/nfs/dbraw/zinc/35/87/61/263358761.db2.gz	RTZMRBODAYEQGH-OAHLLOKOSA-N	1	0	278.827	4.711	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](C)Sc2sccc21	ZINC000343513403	335206116	/nfs/dbraw/zinc/20/61/16/335206116.db2.gz	VHJNUQSMFPQQNL-GMXVVIOVSA-N	1	0	267.463	4.618	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H]1C[C@H](C)Sc2sccc21	ZINC000343513404	335206137	/nfs/dbraw/zinc/20/61/37/335206137.db2.gz	VHJNUQSMFPQQNL-GVXVVHGQSA-N	1	0	267.463	4.618	20	30		CJEDRO
CC1(C)CCC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1	ZINC000344283115	528985138	/nfs/dbraw/zinc/98/51/38/528985138.db2.gz	BKBCALJPICKTFR-DLBZAZTESA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CCC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1	ZINC000344283122	528960813	/nfs/dbraw/zinc/96/08/13/528960813.db2.gz	BKBCALJPICKTFR-IAGOWNOFSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CCC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1	ZINC000344283125	528985375	/nfs/dbraw/zinc/98/53/75/528985375.db2.gz	BKBCALJPICKTFR-IRXDYDNUSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C)CCC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1	ZINC000344283127	528960119	/nfs/dbraw/zinc/96/01/19/528960119.db2.gz	BKBCALJPICKTFR-SJORKVTESA-N	1	0	270.420	4.590	20	30		CJEDRO
CC[C@@H](C[NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000344851310	529495663	/nfs/dbraw/zinc/49/56/63/529495663.db2.gz	KBOKBLIRBUDJIY-FXAWDEMLSA-N	1	0	292.426	4.815	20	30		CJEDRO
CC[C@@H](C[NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000344851330	529495098	/nfs/dbraw/zinc/49/50/98/529495098.db2.gz	KBOKBLIRBUDJIY-PXNSSMCTSA-N	1	0	292.426	4.815	20	30		CJEDRO
CC[C@H](C[NH2+][C@@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000344851332	529368780	/nfs/dbraw/zinc/36/87/80/529368780.db2.gz	KBOKBLIRBUDJIY-XLIONFOSSA-N	1	0	292.426	4.815	20	30		CJEDRO
CC[C@H](C[NH2+][C@H](CCC#N)c1ccccc1)c1ccccc1	ZINC000344851345	529370831	/nfs/dbraw/zinc/37/08/31/529370831.db2.gz	KBOKBLIRBUDJIY-YLJYHZDGSA-N	1	0	292.426	4.815	20	30		CJEDRO
CC(C)CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccoc1	ZINC000348204643	527808863	/nfs/dbraw/zinc/80/88/63/527808863.db2.gz	HDYNSRUCAQHWNR-MRXNPFEDSA-N	1	0	276.424	4.676	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCCc2c(Cl)cccc21	ZINC000348206938	527001039	/nfs/dbraw/zinc/00/10/39/527001039.db2.gz	NDMIXPUJUAHNJO-INIZCTEOSA-N	1	0	290.838	4.637	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21	ZINC000348208625	527001009	/nfs/dbraw/zinc/00/10/09/527001009.db2.gz	UQMSNPHECURBSR-QGZVFWFLSA-N	1	0	284.447	4.719	20	30		CJEDRO
Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(C)(C)CCC#N	ZINC000348211282	534878163	/nfs/dbraw/zinc/87/81/63/534878163.db2.gz	FDNGFNFOPBKRQR-GFCCVEGCSA-N	1	0	293.480	4.556	20	30		CJEDRO
C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccsc2S1	ZINC000348218190	533943518	/nfs/dbraw/zinc/94/35/18/533943518.db2.gz	QUQGQQILYGKDIS-YPMHNXCESA-N	1	0	294.489	4.593	20	30		CJEDRO
N#CCC[C@@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1	ZINC000352761285	534657190	/nfs/dbraw/zinc/65/71/90/534657190.db2.gz	VPCXOWOWGRPABC-GOSISDBHSA-N	1	0	290.366	4.567	20	30		CJEDRO
N#CCC[C@H]([NH2+]Cc1ccc2occc2c1)c1ccccc1	ZINC000352761286	227197229	/nfs/dbraw/zinc/19/72/29/227197229.db2.gz	VPCXOWOWGRPABC-SFHVURJKSA-N	1	0	290.366	4.567	20	30		CJEDRO
CC(C)CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccoc1	ZINC000353592040	328855034	/nfs/dbraw/zinc/85/50/34/328855034.db2.gz	ZNVPZYNFCPAAAS-HTWSVDAQSA-N	1	0	288.435	4.676	20	30		CJEDRO
CC(C)CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccoc1	ZINC000353592041	328855009	/nfs/dbraw/zinc/85/50/09/328855009.db2.gz	ZNVPZYNFCPAAAS-LEOMRAHMSA-N	1	0	288.435	4.676	20	30		CJEDRO
N#CCCC[C@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1	ZINC000353910916	226813657	/nfs/dbraw/zinc/81/36/57/226813657.db2.gz	AYOCHPIGJPQPKZ-DBBZSVRUSA-N	1	0	290.410	4.725	20	30		CJEDRO
Cc1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1	ZINC000353911863	226815863	/nfs/dbraw/zinc/81/58/63/226815863.db2.gz	DAQXZWKMTAWKFE-HXUWFJFHSA-N	1	0	292.426	4.828	20	30		CJEDRO
CC1CCC(C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000353913070	528183714	/nfs/dbraw/zinc/18/37/14/528183714.db2.gz	HAWBAXXVEYSPSO-TVPLGVNVSA-N	1	0	284.447	4.837	20	30		CJEDRO
CC(C)C[C@@H](C)C[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000353916637	528253511	/nfs/dbraw/zinc/25/35/11/528253511.db2.gz	QXKKEERHRWFHEV-SJLPKXTDSA-N	1	0	272.436	4.693	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCCc1ccc(C)nc1)c1ccccc1	ZINC000354542794	527483541	/nfs/dbraw/zinc/48/35/41/527483541.db2.gz	DXOQLEVPRHDZRI-FQEVSTJZSA-N	1	0	294.442	4.620	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCc1ccc(C)nc1)c1ccccc1	ZINC000354542803	527447675	/nfs/dbraw/zinc/44/76/75/527447675.db2.gz	DXOQLEVPRHDZRI-HXUWFJFHSA-N	1	0	294.442	4.620	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)c1ccc(C#N)cc1	ZINC000357999536	266395471	/nfs/dbraw/zinc/39/54/71/266395471.db2.gz	ACBXBWCAYJXUAW-CXAGYDPISA-N	1	0	294.398	4.516	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)c1ccc(C#N)cc1	ZINC000357999539	266394980	/nfs/dbraw/zinc/39/49/80/266394980.db2.gz	ACBXBWCAYJXUAW-DYVFJYSZSA-N	1	0	294.398	4.516	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)c1ccc(C#N)cc1	ZINC000357999542	266395453	/nfs/dbraw/zinc/39/54/53/266395453.db2.gz	ACBXBWCAYJXUAW-GUYCJALGSA-N	1	0	294.398	4.516	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)c1ccc(C#N)cc1	ZINC000357999545	266395200	/nfs/dbraw/zinc/39/52/00/266395200.db2.gz	ACBXBWCAYJXUAW-SUMWQHHRSA-N	1	0	294.398	4.516	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1	ZINC000358047069	266405626	/nfs/dbraw/zinc/40/56/26/266405626.db2.gz	MAQARERMOFKYCM-MNOVXSKESA-N	1	0	292.473	4.795	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccccc1	ZINC000358285018	328881648	/nfs/dbraw/zinc/88/16/48/328881648.db2.gz	INVUBNOEKPJQSG-INIZCTEOSA-N	1	0	298.455	4.818	20	30		CJEDRO
C[C@@H](CCc1ccccc1)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000358327630	266453762	/nfs/dbraw/zinc/45/37/62/266453762.db2.gz	JRXHFPZBJGIMBW-PXNSSMCTSA-N	1	0	292.426	4.642	20	30		CJEDRO
C=CCC[C@@H](CCC)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000358341366	266455186	/nfs/dbraw/zinc/45/51/86/266455186.db2.gz	BPFNGFACWCRSEX-MSOLQXFVSA-N	1	0	270.420	4.756	20	30		CJEDRO
CCCC[C@H](CC)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000358344149	266455146	/nfs/dbraw/zinc/45/51/46/266455146.db2.gz	UXDMHYBQPDMJHE-DLBZAZTESA-N	1	0	258.409	4.590	20	30		CJEDRO
CCCC[C@@H](CC)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000358344152	260637812	/nfs/dbraw/zinc/63/78/12/260637812.db2.gz	UXDMHYBQPDMJHE-SJORKVTESA-N	1	0	258.409	4.590	20	30		CJEDRO
CC(C)=CCC[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000358344529	266455866	/nfs/dbraw/zinc/45/58/66/266455866.db2.gz	KDYMONVEPYEXFD-AEFFLSMTSA-N	1	0	270.420	4.756	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CCCCC1	ZINC000358345804	266455744	/nfs/dbraw/zinc/45/57/44/266455744.db2.gz	OUIJCEVURWMXDW-QAPCUYQASA-N	1	0	270.420	4.590	20	30		CJEDRO
CCCC(CCC)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000358355895	266456396	/nfs/dbraw/zinc/45/63/96/266456396.db2.gz	STEAIUKQTYPCQP-QGZVFWFLSA-N	1	0	258.409	4.590	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H](C)c1ccccc1	ZINC000358357429	266456621	/nfs/dbraw/zinc/45/66/21/266456621.db2.gz	WBTJCEBDKMHKQE-UWVAXJGDSA-N	1	0	292.426	4.813	20	30		CJEDRO
CC[C@H](Cc1ccccc1)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000358357490	266456949	/nfs/dbraw/zinc/45/69/49/266456949.db2.gz	WYUKQGWHMMQCRF-WOJBJXKFSA-N	1	0	292.426	4.642	20	30		CJEDRO
CCCc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1	ZINC000358996994	266519942	/nfs/dbraw/zinc/51/99/42/266519942.db2.gz	DKUYYDNEVVVTFR-HXUWFJFHSA-N	1	0	292.426	4.774	20	30		CJEDRO
C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000359644378	266613443	/nfs/dbraw/zinc/61/34/43/266613443.db2.gz	ZREIPGJCKYVVQQ-ZFWWWQNUSA-N	1	0	298.352	4.742	20	30		CJEDRO
C[C@H](CCc1ccsc1)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000360964109	328912766	/nfs/dbraw/zinc/91/27/66/328912766.db2.gz	MOZAQNPDLMTQSP-CRAIPNDOSA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@@H](CCc1ccsc1)[NH2+][C@H](CCC#N)c1ccccc1	ZINC000360964110	328912803	/nfs/dbraw/zinc/91/28/03/328912803.db2.gz	MOZAQNPDLMTQSP-MAUKXSAKSA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@H](CCc1ccsc1)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000360964111	328912778	/nfs/dbraw/zinc/91/27/78/328912778.db2.gz	MOZAQNPDLMTQSP-QAPCUYQASA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@@H](CCc1ccsc1)[NH2+][C@@H](CCC#N)c1ccccc1	ZINC000360964112	328912804	/nfs/dbraw/zinc/91/28/04/328912804.db2.gz	MOZAQNPDLMTQSP-YJBOKZPZSA-N	1	0	298.455	4.704	20	30		CJEDRO
CC(C)CCC[C@@H]([NH2+]CCCCC#N)c1ccccc1	ZINC000361112595	266786388	/nfs/dbraw/zinc/78/63/88/266786388.db2.gz	ZYEZRADRKDJANZ-GOSISDBHSA-N	1	0	272.436	4.837	20	30		CJEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1	ZINC000361438584	266822404	/nfs/dbraw/zinc/82/24/04/266822404.db2.gz	BKBWMKURAGSLDQ-NEWSRXKRSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1	ZINC000361438585	266822064	/nfs/dbraw/zinc/82/20/64/266822064.db2.gz	BKBWMKURAGSLDQ-NZSAHSFTSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1	ZINC000361438586	266822444	/nfs/dbraw/zinc/82/24/44/266822444.db2.gz	BKBWMKURAGSLDQ-QRQLOZEOSA-N	1	0	282.431	4.590	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H](c1cccnc1)C1CCCCC1	ZINC000363264228	267082512	/nfs/dbraw/zinc/08/25/12/267082512.db2.gz	KCFBDBIRTAIKGD-GOSISDBHSA-N	1	0	299.462	4.623	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H](c1cccnc1)C1CCCCC1	ZINC000363264229	267082652	/nfs/dbraw/zinc/08/26/52/267082652.db2.gz	KCFBDBIRTAIKGD-SFHVURJKSA-N	1	0	299.462	4.623	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000363265125	267083614	/nfs/dbraw/zinc/08/36/14/267083614.db2.gz	XMLOKSWILXRTNC-UHFFFAOYSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1c1ccco1	ZINC000365443816	262365644	/nfs/dbraw/zinc/36/56/44/262365644.db2.gz	PJEHOROPHDSCMA-HNNXBMFYSA-N	1	0	274.408	4.527	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1c1ccco1	ZINC000365443817	262365507	/nfs/dbraw/zinc/36/55/07/262365507.db2.gz	PJEHOROPHDSCMA-OAHLLOKOSA-N	1	0	274.408	4.527	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccn1)C1CCCC1	ZINC000365635170	262377459	/nfs/dbraw/zinc/37/74/59/262377459.db2.gz	OSFFLBNRFBXCSD-GOSISDBHSA-N	1	0	299.462	4.623	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@H](c1ccccn1)C1CCCC1	ZINC000365635171	262377332	/nfs/dbraw/zinc/37/73/32/262377332.db2.gz	OSFFLBNRFBXCSD-SFHVURJKSA-N	1	0	299.462	4.623	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1	ZINC000369724541	267260335	/nfs/dbraw/zinc/26/03/35/267260335.db2.gz	XMLOKSWILXRTNC-KOMQPUFPSA-N	1	0	290.838	4.506	20	30		CJEDRO
Cc1ccc([C@@H]2CCC[N@@H+]2CCCC(C)(C)C#N)s1	ZINC000369992691	267281697	/nfs/dbraw/zinc/28/16/97/267281697.db2.gz	ASXVATYDVZTFCP-AWEZNQCLSA-N	1	0	276.449	4.523	20	30		CJEDRO
Cc1ccc([C@H]2CCC[N@@H+]2CCCC(C)(C)C#N)s1	ZINC000369992692	267281324	/nfs/dbraw/zinc/28/13/24/267281324.db2.gz	ASXVATYDVZTFCP-CQSZACIVSA-N	1	0	276.449	4.523	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1	ZINC000369995071	267281652	/nfs/dbraw/zinc/28/16/52/267281652.db2.gz	JRMCODQIUBRDGL-GOSISDBHSA-N	1	0	299.462	4.623	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](c1cccnc1)C1CCCCC1	ZINC000369995076	267281592	/nfs/dbraw/zinc/28/15/92/267281592.db2.gz	JRMCODQIUBRDGL-SFHVURJKSA-N	1	0	299.462	4.623	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1sccc1Br	ZINC000380001122	335290880	/nfs/dbraw/zinc/29/08/80/335290880.db2.gz	MUMHWYDNICNMGF-NXEZZACHSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@@H](C)c1sccc1Br	ZINC000380001130	335290871	/nfs/dbraw/zinc/29/08/71/335290871.db2.gz	MUMHWYDNICNMGF-UWVGGRQHSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H](C)c1sccc1Br	ZINC000380001138	335290818	/nfs/dbraw/zinc/29/08/18/335290818.db2.gz	MUMHWYDNICNMGF-ZJUUUORDSA-N	1	0	288.254	4.516	20	30		CJEDRO
CCC[N@H+](CCCCC(C)(C)C#N)Cc1ccccc1	ZINC000384402367	336124476	/nfs/dbraw/zinc/12/44/76/336124476.db2.gz	NDYBYONGSUCDCK-UHFFFAOYSA-N	1	0	272.436	4.619	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1	ZINC000386066100	336165714	/nfs/dbraw/zinc/16/57/14/336165714.db2.gz	IJPLUFSILLZZCA-BEFAXECRSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1	ZINC000386066101	336165827	/nfs/dbraw/zinc/16/58/27/336165827.db2.gz	IJPLUFSILLZZCA-DNVCBOLYSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1	ZINC000386066102	336165708	/nfs/dbraw/zinc/16/57/08/336165708.db2.gz	IJPLUFSILLZZCA-HNAYVOBHSA-N	1	0	292.426	4.996	20	30		CJEDRO
C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1	ZINC000386066103	336165733	/nfs/dbraw/zinc/16/57/33/336165733.db2.gz	IJPLUFSILLZZCA-KXBFYZLASA-N	1	0	292.426	4.996	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(C)c1	ZINC000386316984	336170591	/nfs/dbraw/zinc/17/05/91/336170591.db2.gz	DSFZEBGBSXLPQS-BEFAXECRSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cccc(C)c1	ZINC000386316985	336170607	/nfs/dbraw/zinc/17/06/07/336170607.db2.gz	DSFZEBGBSXLPQS-DNVCBOLYSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(C)c1	ZINC000386316986	336170410	/nfs/dbraw/zinc/17/04/10/336170410.db2.gz	DSFZEBGBSXLPQS-HNAYVOBHSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(C)c1	ZINC000386316987	336170574	/nfs/dbraw/zinc/17/05/74/336170574.db2.gz	DSFZEBGBSXLPQS-KXBFYZLASA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H](C)[N@H+](CCCC(C)(C)C#N)Cc1ccccc1	ZINC000387329077	336192614	/nfs/dbraw/zinc/19/26/14/336192614.db2.gz	DTFXJLSCZHVRKK-INIZCTEOSA-N	1	0	272.436	4.617	20	30		CJEDRO
CC[C@@H](C)[N@H+](CCCC(C)(C)C#N)Cc1ccccc1	ZINC000387329078	336192498	/nfs/dbraw/zinc/19/24/98/336192498.db2.gz	DTFXJLSCZHVRKK-MRXNPFEDSA-N	1	0	272.436	4.617	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(Br)s1	ZINC000390010363	262074912	/nfs/dbraw/zinc/07/49/12/262074912.db2.gz	YXYNELCLUPNUGL-NXEZZACHSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(Br)s1	ZINC000390010370	262075278	/nfs/dbraw/zinc/07/52/78/262075278.db2.gz	YXYNELCLUPNUGL-UWVGGRQHSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(Br)s1	ZINC000390010371	262075354	/nfs/dbraw/zinc/07/53/54/262075354.db2.gz	YXYNELCLUPNUGL-VHSXEESVSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(Br)s1	ZINC000390010373	262075254	/nfs/dbraw/zinc/07/52/54/262075254.db2.gz	YXYNELCLUPNUGL-ZJUUUORDSA-N	1	0	288.254	4.516	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+]C1CC(c2ccccc2Cl)C1	ZINC000393758706	329350108	/nfs/dbraw/zinc/35/01/08/329350108.db2.gz	YROXWXFVLASPIM-ROKHWSDSSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C	ZINC000393767121	329376972	/nfs/dbraw/zinc/37/69/72/329376972.db2.gz	HLOGFPNUUGOCDI-AAEUAGOBSA-N	1	0	280.481	4.754	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C	ZINC000393767130	333414385	/nfs/dbraw/zinc/41/43/85/333414385.db2.gz	HLOGFPNUUGOCDI-DGCLKSJQSA-N	1	0	280.481	4.754	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C	ZINC000393767564	333414526	/nfs/dbraw/zinc/41/45/26/333414526.db2.gz	HLOGFPNUUGOCDI-WCQYABFASA-N	1	0	280.481	4.754	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C	ZINC000393767567	329377469	/nfs/dbraw/zinc/37/74/69/329377469.db2.gz	HLOGFPNUUGOCDI-YPMHNXCESA-N	1	0	280.481	4.754	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000393792483	328137542	/nfs/dbraw/zinc/13/75/42/328137542.db2.gz	FBWVUSATVMZERB-OGVSOVDVSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CC[C@H](CC)[NH2+]C1CC(c2cccc(Cl)c2)C1	ZINC000393792488	333414661	/nfs/dbraw/zinc/41/46/61/333414661.db2.gz	FBWVUSATVMZERB-SIWZUTFBSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+]C1CC(c2ccc(Cl)cc2)C1	ZINC000393819916	262213673	/nfs/dbraw/zinc/21/36/73/262213673.db2.gz	JXKDINDUBGXJTE-OGVSOVDVSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CC[C@H](CC)[NH2+]C1CC(c2ccc(Cl)cc2)C1	ZINC000393819918	262213661	/nfs/dbraw/zinc/21/36/61/262213661.db2.gz	JXKDINDUBGXJTE-SIWZUTFBSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1nc(-c2ccccc2)cs1	ZINC000394252395	260228508	/nfs/dbraw/zinc/22/85/08/260228508.db2.gz	WUJZTFKSOQTTEE-UHFFFAOYSA-N	1	0	286.444	4.502	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H]1CCSc2ccccc21	ZINC000398079188	329431158	/nfs/dbraw/zinc/43/11/58/329431158.db2.gz	CQPHUSMKXVNBLH-DZGCQCFKSA-N	1	0	261.434	4.558	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@H]1CCSc2ccccc21	ZINC000398079190	329431143	/nfs/dbraw/zinc/43/11/43/329431143.db2.gz	CQPHUSMKXVNBLH-HIFRSBDPSA-N	1	0	261.434	4.558	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H]1CCSc2ccccc21	ZINC000398079194	329431296	/nfs/dbraw/zinc/43/12/96/329431296.db2.gz	CQPHUSMKXVNBLH-ZFWWWQNUSA-N	1	0	261.434	4.558	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1	ZINC000398183495	329438833	/nfs/dbraw/zinc/43/88/33/329438833.db2.gz	OZFNVPYTGCBRJO-CHWSQXEVSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1	ZINC000398183500	329438613	/nfs/dbraw/zinc/43/86/13/329438613.db2.gz	OZFNVPYTGCBRJO-STQMWFEESA-N	1	0	274.433	4.692	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1	ZINC000404863555	332653246	/nfs/dbraw/zinc/65/32/46/332653246.db2.gz	YERLNTAZLSPHNP-IBGZPJMESA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1	ZINC000411456127	262694886	/nfs/dbraw/zinc/69/48/86/262694886.db2.gz	BNOOJKXETAPPQW-KBPBESRZSA-N	1	0	276.449	4.530	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1	ZINC000411976038	262711287	/nfs/dbraw/zinc/71/12/87/262711287.db2.gz	COQUZNUOQCDOGA-GOSISDBHSA-N	1	0	296.458	4.586	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1	ZINC000411976040	262711359	/nfs/dbraw/zinc/71/13/59/262711359.db2.gz	COQUZNUOQCDOGA-SFHVURJKSA-N	1	0	296.458	4.586	20	30		CJEDRO
N#CCCCC[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1	ZINC000414067144	262800111	/nfs/dbraw/zinc/80/01/11/262800111.db2.gz	HRMMNAACXPNHOI-WBVHZDCISA-N	1	0	290.838	4.650	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)c2ccccc21	ZINC000414159128	262818752	/nfs/dbraw/zinc/81/87/52/262818752.db2.gz	AXLDIZVXXKNEOI-ZDUSSCGKSA-N	1	0	284.378	4.569	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc2cc(Cl)ccc2o1	ZINC000414165078	262819648	/nfs/dbraw/zinc/81/96/48/262819648.db2.gz	LEIZOINACCZXPB-LLVKDONJSA-N	1	0	290.794	4.677	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1	ZINC000414171828	262813742	/nfs/dbraw/zinc/81/37/42/262813742.db2.gz	VKKRNUFPCVHTMC-GOEBONIOSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1	ZINC000414171829	262813753	/nfs/dbraw/zinc/81/37/53/262813753.db2.gz	VKKRNUFPCVHTMC-HOCLYGCPSA-N	1	0	290.838	4.506	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccco1	ZINC000414229758	262829236	/nfs/dbraw/zinc/82/92/36/262829236.db2.gz	NHNDFLADXHTBBR-KRWDZBQOSA-N	1	0	298.430	4.769	20	30		CJEDRO
C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(C2CC2)cc1	ZINC000417355461	263799244	/nfs/dbraw/zinc/79/92/44/263799244.db2.gz	NQMJLMGRQXTNIJ-YCMKEVRSSA-N	1	0	282.431	4.687	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccsc1	ZINC000417369549	263891385	/nfs/dbraw/zinc/89/13/85/263891385.db2.gz	RKSQZNXALRFKRG-ROUUACIJSA-N	1	0	296.439	4.738	20	30		CJEDRO
Cc1ccc(CC(C)(C)[NH2+]CCCCC(C)(C)C#N)cc1	ZINC000419332184	329717419	/nfs/dbraw/zinc/71/74/19/329717419.db2.gz	KHNVFMJHBZCZLY-UHFFFAOYSA-N	1	0	286.463	4.626	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(C2CC2)cc1	ZINC000419344875	329718869	/nfs/dbraw/zinc/71/88/69/329718869.db2.gz	SMJMBKPKEZOONH-HNNXBMFYSA-N	1	0	284.447	4.935	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(C2CC2)cc1	ZINC000419344876	329718857	/nfs/dbraw/zinc/71/88/57/329718857.db2.gz	SMJMBKPKEZOONH-OAHLLOKOSA-N	1	0	284.447	4.935	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(C2CC2)cc1	ZINC000419361283	329720108	/nfs/dbraw/zinc/72/01/08/329720108.db2.gz	TYQZXQAMJACKAA-AWEZNQCLSA-N	1	0	270.420	4.545	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(C2CC2)cc1	ZINC000419361287	329720086	/nfs/dbraw/zinc/72/00/86/329720086.db2.gz	TYQZXQAMJACKAA-CQSZACIVSA-N	1	0	270.420	4.545	20	30		CJEDRO
N#CCC[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccccc1	ZINC000421344938	329814571	/nfs/dbraw/zinc/81/45/71/329814571.db2.gz	VJRDKDWQPKJSOJ-FQEVSTJZSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCC[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1ccccc1	ZINC000421344939	329814560	/nfs/dbraw/zinc/81/45/60/329814560.db2.gz	VJRDKDWQPKJSOJ-HXUWFJFHSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#Cc1ccc(C[NH2+]Cc2ccc(C3CCCC3)cc2)s1	ZINC000421349159	329815080	/nfs/dbraw/zinc/81/50/80/329815080.db2.gz	HYSFZMCRAXHUBR-UHFFFAOYSA-N	1	0	296.439	4.567	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC(F)F)c1ccccc1	ZINC000421365799	329823389	/nfs/dbraw/zinc/82/33/89/329823389.db2.gz	BERQRZDRGTXXJH-GUTXKFCHSA-N	1	0	267.363	4.573	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC(F)F)c1ccccc1	ZINC000421365800	329823558	/nfs/dbraw/zinc/82/35/58/329823558.db2.gz	BERQRZDRGTXXJH-GZBFAFLISA-N	1	0	267.363	4.573	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC(F)F)c1ccccc1	ZINC000421365801	329823568	/nfs/dbraw/zinc/82/35/68/329823568.db2.gz	BERQRZDRGTXXJH-KCQAQPDRSA-N	1	0	267.363	4.573	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC(F)F)c1ccccc1	ZINC000421365802	329823530	/nfs/dbraw/zinc/82/35/30/329823530.db2.gz	BERQRZDRGTXXJH-YDHLFZDLSA-N	1	0	267.363	4.573	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+][C@@H](CC(F)F)c1ccccc1	ZINC000421375170	329816474	/nfs/dbraw/zinc/81/64/74/329816474.db2.gz	PUWPUPGZYJXXSI-GJZGRUSLSA-N	1	0	267.363	4.717	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](CC(F)F)c1ccccc1	ZINC000421375172	329816493	/nfs/dbraw/zinc/81/64/93/329816493.db2.gz	PUWPUPGZYJXXSI-HUUCEWRRSA-N	1	0	267.363	4.717	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1C(C)(C)C	ZINC000421848534	330095465	/nfs/dbraw/zinc/09/54/65/330095465.db2.gz	AJQQQZRBHPVBHX-CYBMUJFWSA-N	1	0	298.455	4.768	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1C(C)(C)C	ZINC000421848545	330095488	/nfs/dbraw/zinc/09/54/88/330095488.db2.gz	AJQQQZRBHPVBHX-ZDUSSCGKSA-N	1	0	298.455	4.768	20	30		CJEDRO
CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000421878280	330101845	/nfs/dbraw/zinc/10/18/45/330101845.db2.gz	LWRWNZUAOXZQMJ-MSOLQXFVSA-N	1	0	296.439	4.594	20	30		CJEDRO
CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000421878282	330101911	/nfs/dbraw/zinc/10/19/11/330101911.db2.gz	LWRWNZUAOXZQMJ-QZTJIDSGSA-N	1	0	296.439	4.594	20	30		CJEDRO
CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000421878284	330101832	/nfs/dbraw/zinc/10/18/32/330101832.db2.gz	LWRWNZUAOXZQMJ-ROUUACIJSA-N	1	0	296.439	4.594	20	30		CJEDRO
CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccc21	ZINC000421878286	330101883	/nfs/dbraw/zinc/10/18/83/330101883.db2.gz	LWRWNZUAOXZQMJ-ZWKOTPCHSA-N	1	0	296.439	4.594	20	30		CJEDRO
CCCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1	ZINC000421881772	330102446	/nfs/dbraw/zinc/10/24/46/330102446.db2.gz	PFLGUXKCVBKHCT-KRWDZBQOSA-N	1	0	284.428	4.641	20	30		CJEDRO
CCCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1	ZINC000421881781	330102477	/nfs/dbraw/zinc/10/24/77/330102477.db2.gz	PFLGUXKCVBKHCT-QGZVFWFLSA-N	1	0	284.428	4.641	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccco1	ZINC000423355177	330193031	/nfs/dbraw/zinc/19/30/31/330193031.db2.gz	OQYQOEJXTMOIQC-MSOLQXFVSA-N	1	0	296.414	4.536	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccco1	ZINC000423355204	330192994	/nfs/dbraw/zinc/19/29/94/330192994.db2.gz	OQYQOEJXTMOIQC-QZTJIDSGSA-N	1	0	296.414	4.536	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccco1	ZINC000423355206	330193238	/nfs/dbraw/zinc/19/32/38/330193238.db2.gz	OQYQOEJXTMOIQC-ROUUACIJSA-N	1	0	296.414	4.536	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccco1	ZINC000423355209	330193152	/nfs/dbraw/zinc/19/31/52/330193152.db2.gz	OQYQOEJXTMOIQC-ZWKOTPCHSA-N	1	0	296.414	4.536	20	30		CJEDRO
N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c4ccccc4sc32)C1	ZINC000424320130	330339966	/nfs/dbraw/zinc/33/99/66/330339966.db2.gz	FOHRJPOZEZUAMX-DVOMOZLQSA-N	1	0	296.439	4.561	20	30		CJEDRO
N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c4ccccc4sc32)C1	ZINC000424320146	330339961	/nfs/dbraw/zinc/33/99/61/330339961.db2.gz	FOHRJPOZEZUAMX-WWGRRREGSA-N	1	0	296.439	4.561	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccs2)cc1	ZINC000424322196	330340283	/nfs/dbraw/zinc/34/02/83/330340283.db2.gz	IBRWELHGWYVONA-GRDNDAEWSA-N	1	0	296.439	4.758	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccs2)cc1	ZINC000424322198	330340367	/nfs/dbraw/zinc/34/03/67/330340367.db2.gz	IBRWELHGWYVONA-JKIFEVAISA-N	1	0	296.439	4.758	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2ccccc2)s1	ZINC000424334457	330343121	/nfs/dbraw/zinc/34/31/21/330343121.db2.gz	VOYGIEPFGZYCPU-IJEWVQPXSA-N	1	0	296.439	4.758	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-c2ccccc2)s1	ZINC000424334459	330343154	/nfs/dbraw/zinc/34/31/54/330343154.db2.gz	VOYGIEPFGZYCPU-OFQRWUPVSA-N	1	0	296.439	4.758	20	30		CJEDRO
CC(C)Sc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424334509	330343077	/nfs/dbraw/zinc/34/30/77/330343077.db2.gz	VRHKMIOVEPELEX-IJEWVQPXSA-N	1	0	288.460	4.530	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1	ZINC000424334514	330343080	/nfs/dbraw/zinc/34/30/80/330343080.db2.gz	VRHKMIOVEPELEX-OFQRWUPVSA-N	1	0	288.460	4.530	20	30		CJEDRO
CC1(C)CCC[C@@H]1[N@H+](CCCCC#N)Cc1ccccc1	ZINC000426823287	260539435	/nfs/dbraw/zinc/53/94/35/260539435.db2.gz	BXPYHQLGFJSLDI-SFHVURJKSA-N	1	0	284.447	4.761	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1oc(C(C)C)nc1C)c1ccccc1	ZINC000428354775	330521196	/nfs/dbraw/zinc/52/11/96/330521196.db2.gz	LSECNBOZZJNPGU-KRWDZBQOSA-N	1	0	298.430	4.904	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1	ZINC000430721259	328527551	/nfs/dbraw/zinc/52/75/51/328527551.db2.gz	BQEKOESJMAUHPF-INIZCTEOSA-N	1	0	288.410	4.586	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1	ZINC000430721260	328527678	/nfs/dbraw/zinc/52/76/78/328527678.db2.gz	BQEKOESJMAUHPF-MRXNPFEDSA-N	1	0	288.410	4.586	20	30		CJEDRO
C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccccc2)s1	ZINC000430726609	330571532	/nfs/dbraw/zinc/57/15/32/330571532.db2.gz	DXNMCWQXOGFQKY-CQSZACIVSA-N	1	0	296.439	4.760	20	30		CJEDRO
Cc1ccc([C@H]([NH2+]CC2(CC#N)CC2)C2CCCC2)cc1	ZINC000430740316	330572304	/nfs/dbraw/zinc/57/23/04/330572304.db2.gz	JVFSFVUGOXBLCJ-GOSISDBHSA-N	1	0	282.431	4.510	20	30		CJEDRO
Cc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)C2CCCC2)cc1	ZINC000430740318	330572290	/nfs/dbraw/zinc/57/22/90/330572290.db2.gz	JVFSFVUGOXBLCJ-SFHVURJKSA-N	1	0	282.431	4.510	20	30		CJEDRO
CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)c(Cl)c1	ZINC000430741417	330572219	/nfs/dbraw/zinc/57/22/19/330572219.db2.gz	IVQIGOWKCVBKBW-AWEZNQCLSA-N	1	0	297.229	4.728	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1	ZINC000430742452	330572211	/nfs/dbraw/zinc/57/22/11/330572211.db2.gz	OSGLJKOYEQDSHQ-GOEBONIOSA-N	1	0	279.374	4.719	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccccc1	ZINC000430742454	330572308	/nfs/dbraw/zinc/57/23/08/330572308.db2.gz	OSGLJKOYEQDSHQ-HOCLYGCPSA-N	1	0	279.374	4.719	20	30		CJEDRO
CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC1(CC#N)CC1	ZINC000430743305	330572454	/nfs/dbraw/zinc/57/24/54/330572454.db2.gz	QYKCPJZNUPPICO-AWEZNQCLSA-N	1	0	296.414	4.648	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1cc2ccccc2o1	ZINC000430750492	330572957	/nfs/dbraw/zinc/57/29/57/330572957.db2.gz	OENGAHKZPUKWQN-KRWDZBQOSA-N	1	0	296.414	4.803	20	30		CJEDRO
C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(-c2ccccc2)cc1	ZINC000430758942	330573400	/nfs/dbraw/zinc/57/34/00/330573400.db2.gz	DUBMFFNMDITJJX-MRXNPFEDSA-N	1	0	290.410	4.698	20	30		CJEDRO
CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1Cl	ZINC000430767110	529590365	/nfs/dbraw/zinc/59/03/65/529590365.db2.gz	YZQWNVSPYUAJCM-AWEZNQCLSA-N	1	0	297.229	4.728	20	30		CJEDRO
CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1Cl	ZINC000430767112	529156749	/nfs/dbraw/zinc/15/67/49/529156749.db2.gz	YZQWNVSPYUAJCM-CQSZACIVSA-N	1	0	297.229	4.728	20	30		CJEDRO
CCC(C)(C)CC[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000433011970	330612115	/nfs/dbraw/zinc/61/21/15/330612115.db2.gz	IFRYFSZJUVMRIX-KRWDZBQOSA-N	1	0	272.436	4.837	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CCCc1ccccc1)c1ccccc1	ZINC000433014348	330612105	/nfs/dbraw/zinc/61/21/05/330612105.db2.gz	RXHVMWVPFKVWQC-HXUWFJFHSA-N	1	0	292.426	4.644	20	30		CJEDRO
N#CCCC[C@H]([NH2+]CCCC1CCCC1)c1ccccc1	ZINC000433015894	330121350	/nfs/dbraw/zinc/12/13/50/330121350.db2.gz	YZMYJRYNEIWWRJ-IBGZPJMESA-N	1	0	284.447	4.982	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CCCC1CCCC1)c1ccccc1	ZINC000433015898	330121346	/nfs/dbraw/zinc/12/13/46/330121346.db2.gz	YZMYJRYNEIWWRJ-LJQANCHMSA-N	1	0	284.447	4.982	20	30		CJEDRO
N#CCCC[C@H]([NH2+]CCCCC(F)(F)F)c1ccccc1	ZINC000433017359	330612254	/nfs/dbraw/zinc/61/22/54/330612254.db2.gz	ACQXFUTVICSZMM-HNNXBMFYSA-N	1	0	298.352	4.744	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CCCCC(F)(F)F)c1ccccc1	ZINC000433017361	330612211	/nfs/dbraw/zinc/61/22/11/330612211.db2.gz	ACQXFUTVICSZMM-OAHLLOKOSA-N	1	0	298.352	4.744	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000433019426	330612443	/nfs/dbraw/zinc/61/24/43/330612443.db2.gz	NSZIAKBOAQCOFU-SFHVURJKSA-N	1	0	297.446	4.731	20	30		CJEDRO
CC(C)(C)CCC[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000433021552	330612508	/nfs/dbraw/zinc/61/25/08/330612508.db2.gz	RBUJAEGPUNVXCL-QGZVFWFLSA-N	1	0	272.436	4.837	20	30		CJEDRO
Cc1cccc(C)c1C[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000433037991	330613603	/nfs/dbraw/zinc/61/36/03/330613603.db2.gz	DPDKEDKKYTYMAW-HXUWFJFHSA-N	1	0	292.426	4.828	20	30		CJEDRO
CC(C)[NH+](CCSCCCCC(C)(C)C#N)C(C)C	ZINC000436207673	330670619	/nfs/dbraw/zinc/67/06/19/330670619.db2.gz	SRPHKTJQLPMJJR-UHFFFAOYSA-N	1	0	284.513	4.558	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(C#N)cc1	ZINC000436284491	330673234	/nfs/dbraw/zinc/67/32/34/330673234.db2.gz	BDIPGLBAJAMQPY-UFYCRDLUSA-N	1	0	290.410	4.545	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)C1CC1	ZINC000436295645	330674298	/nfs/dbraw/zinc/67/42/98/330674298.db2.gz	PXCKSVAKSMXAAB-WBAXXEDZSA-N	1	0	291.385	4.545	20	30		CJEDRO
C=CCC[C@@H](CCC)[NH2+][C@H](CC(F)(F)F)C(C)C	ZINC000437077422	330692533	/nfs/dbraw/zinc/69/25/33/330692533.db2.gz	OXOQSHGMMYWENL-CHWSQXEVSA-N	1	0	265.363	4.688	20	30		CJEDRO
C=CCC[C@H](CCC)[NH2+][C@H](CC(F)(F)F)C(C)C	ZINC000437077552	330692529	/nfs/dbraw/zinc/69/25/29/330692529.db2.gz	OXOQSHGMMYWENL-QWHCGFSZSA-N	1	0	265.363	4.688	20	30		CJEDRO
C[C@@H](C[NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1	ZINC000437758548	330707700	/nfs/dbraw/zinc/70/77/00/330707700.db2.gz	BPTUJTMCRFGIJR-HNAYVOBHSA-N	1	0	296.389	4.564	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000437764689	330707836	/nfs/dbraw/zinc/70/78/36/330707836.db2.gz	MNOXEYBTZOYORM-IHRRRGAJSA-N	1	0	277.374	4.832	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000437764690	330707833	/nfs/dbraw/zinc/70/78/33/330707833.db2.gz	MNOXEYBTZOYORM-MELADBBJSA-N	1	0	277.374	4.832	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1	ZINC000438977969	330731732	/nfs/dbraw/zinc/73/17/32/330731732.db2.gz	LNUYFNFNQSQIFL-KKUMJFAQSA-N	1	0	289.385	4.690	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC1	ZINC000438977970	330731743	/nfs/dbraw/zinc/73/17/43/330731743.db2.gz	LNUYFNFNQSQIFL-ZNMIVQPWSA-N	1	0	289.385	4.690	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(-c2cccnc2)cc1)C1CC1	ZINC000438984133	330731745	/nfs/dbraw/zinc/73/17/45/330731745.db2.gz	JMKLOISHFCWZTQ-FQEVSTJZSA-N	1	0	292.426	4.583	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CC1	ZINC000439009447	330732375	/nfs/dbraw/zinc/73/23/75/330732375.db2.gz	XAGDTRHTWPYSAH-YUELXQCFSA-N	1	0	289.385	4.690	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl	ZINC000439434401	330738317	/nfs/dbraw/zinc/73/83/17/330738317.db2.gz	BOESHVGSTUYSFZ-AWEZNQCLSA-N	1	0	298.817	4.679	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c1	ZINC000439453678	330738544	/nfs/dbraw/zinc/73/85/44/330738544.db2.gz	QJWISQOHEGLDJZ-AWEZNQCLSA-N	1	0	298.817	4.679	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(C)cc1	ZINC000439453809	330738556	/nfs/dbraw/zinc/73/85/56/330738556.db2.gz	PYNDZGCHNUIQSB-SFHVURJKSA-N	1	0	298.817	4.761	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc1	ZINC000439487939	330739637	/nfs/dbraw/zinc/73/96/37/330739637.db2.gz	WWCVMENRXCYDQH-CQSZACIVSA-N	1	0	290.476	4.779	20	30		CJEDRO
CC[C@@H](F)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000440530396	330750132	/nfs/dbraw/zinc/75/01/32/330750132.db2.gz	YVAMOAURDKOEBH-AUUYWEPGSA-N	1	0	296.389	4.624	20	30		CJEDRO
CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000440530624	330750125	/nfs/dbraw/zinc/75/01/25/330750125.db2.gz	YVAMOAURDKOEBH-IFXJQAMLSA-N	1	0	296.389	4.624	20	30		CJEDRO
CC[C@H](F)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000440530626	330750101	/nfs/dbraw/zinc/75/01/01/330750101.db2.gz	YVAMOAURDKOEBH-LIRRHRJNSA-N	1	0	296.389	4.624	20	30		CJEDRO
CSc1ccccc1[C@H](C)[NH2+]CCCCC(C)(C)C#N	ZINC000440650758	330753537	/nfs/dbraw/zinc/75/35/37/330753537.db2.gz	VKBNUFMNECZWBP-AWEZNQCLSA-N	1	0	290.476	4.779	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1	ZINC000442092940	330773925	/nfs/dbraw/zinc/77/39/25/330773925.db2.gz	YKGKLWPGSRDPGI-GTPINHCMSA-N	1	0	284.447	4.791	20	30		CJEDRO
CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1	ZINC000442099871	330773981	/nfs/dbraw/zinc/77/39/81/330773981.db2.gz	DKEFMNDWISJXIO-KVULBXGLSA-N	1	0	290.838	4.711	20	30		CJEDRO
CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1	ZINC000442099872	330774048	/nfs/dbraw/zinc/77/40/48/330774048.db2.gz	DKEFMNDWISJXIO-MQBCKMQZSA-N	1	0	290.838	4.711	20	30		CJEDRO
C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc2ccccc21	ZINC000442120260	330774278	/nfs/dbraw/zinc/77/42/78/330774278.db2.gz	OTDOBBSKMZQSTI-KLAILNCOSA-N	1	0	292.426	4.820	20	30		CJEDRO
C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2ccccc2c1	ZINC000442122274	330774383	/nfs/dbraw/zinc/77/43/83/330774383.db2.gz	FMBQPALNPPJQFV-GTPINHCMSA-N	1	0	292.426	4.820	20	30		CJEDRO
CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1	ZINC000442779062	330782448	/nfs/dbraw/zinc/78/24/48/330782448.db2.gz	HZJIFLLQAIUFNZ-CLROSIBMSA-N	1	0	290.838	4.709	20	30		CJEDRO
C=C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	ZINC000442782626	330782755	/nfs/dbraw/zinc/78/27/55/330782755.db2.gz	LMNARUJZGHNDHB-LNSITVRQSA-N	1	0	283.337	4.506	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C	ZINC000442791373	330783851	/nfs/dbraw/zinc/78/38/51/330783851.db2.gz	JIIBXLXGQTZBBP-HDMKZQKVSA-N	1	0	296.414	4.720	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)C	ZINC000442791375	330783899	/nfs/dbraw/zinc/78/38/99/330783899.db2.gz	JIIBXLXGQTZBBP-RLFYNMQTSA-N	1	0	296.414	4.720	20	30		CJEDRO
CC1(C)CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H](C#N)C3)c3cccc1c32	ZINC000442822100	517506386	/nfs/dbraw/zinc/50/63/86/517506386.db2.gz	WLVNJKYIQVXSMV-ADAWSYLGSA-N	1	0	294.442	4.568	20	30		CJEDRO
CC1(C)CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H](C#N)C3)c3cccc1c32	ZINC000442822104	330785550	/nfs/dbraw/zinc/78/55/50/330785550.db2.gz	WLVNJKYIQVXSMV-BORJPKMPSA-N	1	0	294.442	4.568	20	30		CJEDRO
CC1(C)CC[C@@H]2C[C@H]([NH2+][C@H]3CC[C@@H](C#N)C3)c3cccc1c32	ZINC000442822242	330785543	/nfs/dbraw/zinc/78/55/43/330785543.db2.gz	WLVNJKYIQVXSMV-BSXFFOKHSA-N	1	0	294.442	4.568	20	30		CJEDRO
CC1(C)CC[C@@H]2C[C@H]([NH2+][C@H]3CC[C@H](C#N)C3)c3cccc1c32	ZINC000442822244	330785687	/nfs/dbraw/zinc/78/56/87/330785687.db2.gz	WLVNJKYIQVXSMV-KRXQYRFLSA-N	1	0	294.442	4.568	20	30		CJEDRO
CCC[C@H](CCc1ccccc1)[NH2+]CC1CCC(C#N)CC1	ZINC000442848638	330786593	/nfs/dbraw/zinc/78/65/93/330786593.db2.gz	AUIOIQTYWOENEM-SOAGJPPSSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1	ZINC000442851375	330787000	/nfs/dbraw/zinc/78/70/00/330787000.db2.gz	FZXRKLAJINWICW-HIEASXQVSA-N	1	0	276.468	4.511	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CCC(C#N)CC1	ZINC000442853182	330787123	/nfs/dbraw/zinc/78/71/23/330787123.db2.gz	IVRDKAHXYOEOSZ-FHERZECASA-N	1	0	296.414	4.722	20	30		CJEDRO
Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1	ZINC000442853185	330787124	/nfs/dbraw/zinc/78/71/24/330787124.db2.gz	IVRDKAHXYOEOSZ-QQFBHYJXSA-N	1	0	296.414	4.722	20	30		CJEDRO
Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC1CCC(C#N)CC1	ZINC000442857180	330787574	/nfs/dbraw/zinc/78/75/74/330787574.db2.gz	PGOGCLBRVVSCRW-FAFZWHIHSA-N	1	0	296.458	4.600	20	30		CJEDRO
C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2c(c1)CCCC2	ZINC000442863769	330788236	/nfs/dbraw/zinc/78/82/36/330788236.db2.gz	AMGOHEXKQQEOOG-GTPINHCMSA-N	1	0	296.458	4.546	20	30		CJEDRO
CC(C)[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccccc21	ZINC000442865476	330788488	/nfs/dbraw/zinc/78/84/88/330788488.db2.gz	FYHRCEJFGRKPBM-YEYPGUGLSA-N	1	0	296.458	4.791	20	30		CJEDRO
Cc1ccc2cc([C@@H](C)[NH2+]CC3CCC(C#N)CC3)oc2c1	ZINC000442866432	330788604	/nfs/dbraw/zinc/78/86/04/330788604.db2.gz	LLJYMZLIPFMKRE-QQFBHYJXSA-N	1	0	296.414	4.722	20	30		CJEDRO
CCc1ccc([C@H](CC)[NH2+]CC2CCC(C#N)CC2)cc1	ZINC000442866674	330788558	/nfs/dbraw/zinc/78/85/58/330788558.db2.gz	JDYBBUPKLQJEMJ-TVPLGVNVSA-N	1	0	284.447	4.620	20	30		CJEDRO
N#CC1CCC(C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC1	ZINC000442866992	330788559	/nfs/dbraw/zinc/78/85/59/330788559.db2.gz	MWQVJGQASIFEKY-QLOJAFMTSA-N	1	0	296.458	4.837	20	30		CJEDRO
Cc1cc(C)c([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1C	ZINC000442867322	330788703	/nfs/dbraw/zinc/78/87/03/330788703.db2.gz	NYSIFHUIZBCBNN-AOCRQIFASA-N	1	0	284.447	4.592	20	30		CJEDRO
Cc1cc(C)c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1C	ZINC000442867323	330788757	/nfs/dbraw/zinc/78/87/57/330788757.db2.gz	NYSIFHUIZBCBNN-WWDZGPRUSA-N	1	0	284.447	4.592	20	30		CJEDRO
CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(Cl)c1	ZINC000442867423	330788702	/nfs/dbraw/zinc/78/87/02/330788702.db2.gz	OKUHMVQWMAYZOR-KVULBXGLSA-N	1	0	290.838	4.711	20	30		CJEDRO
CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)s1	ZINC000442868612	517774457	/nfs/dbraw/zinc/77/44/57/517774457.db2.gz	OFIFEDMVYNMODG-WXRRBKDZSA-N	1	0	296.867	4.772	20	30		CJEDRO
CC(C)[C@H](CCc1ccccc1)[NH2+]CC1CCC(C#N)CC1	ZINC000442869861	330788939	/nfs/dbraw/zinc/78/89/39/330788939.db2.gz	PYOCYIKHFPWDEW-MHJFOBGBSA-N	1	0	298.474	4.563	20	30		CJEDRO
CC(C)[C@@H](CCc1ccccc1)[NH2+]CC1CCC(C#N)CC1	ZINC000442869862	330788993	/nfs/dbraw/zinc/78/89/93/330788993.db2.gz	PYOCYIKHFPWDEW-SOAGJPPSSA-N	1	0	298.474	4.563	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccccc21	ZINC000442869881	517506979	/nfs/dbraw/zinc/50/69/79/517506979.db2.gz	QBNLAMXPCIJZQQ-LADRWXRNSA-N	1	0	296.458	4.719	20	30		CJEDRO
CC1(C)CC[C@H]([NH2+]CC2CCC(C#N)CC2)c2ccccc21	ZINC000442869882	330788982	/nfs/dbraw/zinc/78/89/82/330788982.db2.gz	QBNLAMXPCIJZQQ-RJYAGPCLSA-N	1	0	296.458	4.719	20	30		CJEDRO
C[C@@H]([C@H](C)[NH2+]CC1CCC(C#N)CC1)C1CCCCC1	ZINC000442871769	330789246	/nfs/dbraw/zinc/78/92/46/330789246.db2.gz	GQOVBVKMVQCTOP-JUVOFCAFSA-N	1	0	276.468	4.511	20	30		CJEDRO
C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H](C)C1CCCCC1	ZINC000442871772	533839068	/nfs/dbraw/zinc/83/90/68/533839068.db2.gz	GQOVBVKMVQCTOP-XNIRIUNOSA-N	1	0	276.468	4.511	20	30		CJEDRO
N#CC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1	ZINC000442872523	330789249	/nfs/dbraw/zinc/78/92/49/330789249.db2.gz	IDRSNEBENIJQAE-OTGCGEFBSA-N	1	0	296.458	4.632	20	30		CJEDRO
N#CC1CCC(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1	ZINC000442872526	330789178	/nfs/dbraw/zinc/78/91/78/330789178.db2.gz	IDRSNEBENIJQAE-TZJYRCSTSA-N	1	0	296.458	4.632	20	30		CJEDRO
C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC1CCC(C#N)CC1	ZINC000442874654	330789415	/nfs/dbraw/zinc/78/94/15/330789415.db2.gz	UNZIEYZSWGKIMG-AOCRQIFASA-N	1	0	298.474	4.662	20	30		CJEDRO
C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC1CCC(C#N)CC1	ZINC000442874656	330789462	/nfs/dbraw/zinc/78/94/62/330789462.db2.gz	UNZIEYZSWGKIMG-WWDZGPRUSA-N	1	0	298.474	4.662	20	30		CJEDRO
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1	ZINC000442874798	330789488	/nfs/dbraw/zinc/78/94/88/330789488.db2.gz	NWPCISACXPPEPK-BACDZXNISA-N	1	0	276.468	4.511	20	30		CJEDRO
CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCC(C#N)CC1	ZINC000442874799	330789602	/nfs/dbraw/zinc/78/96/02/330789602.db2.gz	NWPCISACXPPEPK-BHUNQDJPSA-N	1	0	276.468	4.511	20	30		CJEDRO
CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1	ZINC000442874800	330789610	/nfs/dbraw/zinc/78/96/10/330789610.db2.gz	NWPCISACXPPEPK-GQGLESIBSA-N	1	0	276.468	4.511	20	30		CJEDRO
CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCC(C#N)CC1	ZINC000442874801	330789588	/nfs/dbraw/zinc/78/95/88/330789588.db2.gz	NWPCISACXPPEPK-SJJHQCBESA-N	1	0	276.468	4.511	20	30		CJEDRO
Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC2CCC(C#N)CC2)cc1	ZINC000442875178	330789607	/nfs/dbraw/zinc/78/96/07/330789607.db2.gz	OLJWIEWXSNDASS-OTGCGEFBSA-N	1	0	296.458	4.551	20	30		CJEDRO
Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2CCC(C#N)CC2)cc1	ZINC000442875181	330789657	/nfs/dbraw/zinc/78/96/57/330789657.db2.gz	OLJWIEWXSNDASS-ZYKFHVCXSA-N	1	0	296.458	4.551	20	30		CJEDRO
N#CC1CCC(C[NH2+][C@H](c2ccccc2)C2CCCC2)CC1	ZINC000442875478	330789525	/nfs/dbraw/zinc/78/95/25/330789525.db2.gz	WDPKKQVIWVADHK-LBXVMSDZSA-N	1	0	296.458	4.837	20	30		CJEDRO
N#CC1CCC(C[NH2+][C@@H](c2ccccc2)C2CCCC2)CC1	ZINC000442875480	330789579	/nfs/dbraw/zinc/78/95/79/330789579.db2.gz	WDPKKQVIWVADHK-UHYCVJNDSA-N	1	0	296.458	4.837	20	30		CJEDRO
C[C@H](CCC1CCCCC1)[NH2+]CC1CCC(C#N)CC1	ZINC000442876841	330789705	/nfs/dbraw/zinc/78/97/05/330789705.db2.gz	YJTKGCOXQKRKCD-FAEJEUNOSA-N	1	0	276.468	4.655	20	30		CJEDRO
N#CC1CCC(C[NH2+]C2CCC(c3ccccc3)CC2)CC1	ZINC000442880250	330790189	/nfs/dbraw/zinc/79/01/89/330790189.db2.gz	XZLCWWDGPNGJGH-UHFFFAOYSA-N	1	0	296.458	4.632	20	30		CJEDRO
CC(C)C[C@@H](C[NH2+]CC1CCC(C#N)CC1)c1ccccc1	ZINC000443065634	330793549	/nfs/dbraw/zinc/79/35/49/330793549.db2.gz	IDRCWMQLSCCXFJ-QLOJAFMTSA-N	1	0	298.474	4.736	20	30		CJEDRO
CC(C)(C#N)CCCC[NH+]1CCC(c2ccccc2)CC1	ZINC000444592407	330814676	/nfs/dbraw/zinc/81/46/76/330814676.db2.gz	ISIQGHLGGISGGF-UHFFFAOYSA-N	1	0	284.447	4.586	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1	ZINC000444593118	330814566	/nfs/dbraw/zinc/81/45/66/330814566.db2.gz	QWMISLINJQUGPI-QGZVFWFLSA-N	1	0	272.436	4.693	20	30		CJEDRO
C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCCC(C)(C)C#N	ZINC000444600972	260978704	/nfs/dbraw/zinc/97/87/04/260978704.db2.gz	XLGZYBAHWAQJFV-ZDUSSCGKSA-N	1	0	294.389	4.678	20	30		CJEDRO
Cc1ccccc1C1CC[NH+](CCCCC(C)(C)C#N)CC1	ZINC000444626891	261054333	/nfs/dbraw/zinc/05/43/33/261054333.db2.gz	PDLKBMXFOWYLCX-UHFFFAOYSA-N	1	0	298.474	4.895	20	30		CJEDRO
CC[C@@H](Cc1ccccc1)[N@H+](C)CCCCC(C)(C)C#N	ZINC000444642495	261055853	/nfs/dbraw/zinc/05/58/53/261055853.db2.gz	AOVCTMZCVMUKTH-SFHVURJKSA-N	1	0	286.463	4.660	20	30		CJEDRO
C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCCC(C)(C)C#N	ZINC000444649466	261056719	/nfs/dbraw/zinc/05/67/19/261056719.db2.gz	JUCFVEKANAOXOV-WMZOPIPTSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(Cl)c(F)c1	ZINC000444666558	261059740	/nfs/dbraw/zinc/05/97/40/261059740.db2.gz	XGDIYLVJIKPNSR-UHFFFAOYSA-N	1	0	296.817	4.631	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cc(F)ccc1F	ZINC000444668667	330817968	/nfs/dbraw/zinc/81/79/68/330817968.db2.gz	FEYOBKCVSNVMRB-MRXNPFEDSA-N	1	0	294.389	4.726	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)C1CCC1	ZINC000444669186	330817993	/nfs/dbraw/zinc/81/79/93/330817993.db2.gz	WIPFLJWTPUAGFR-GOSISDBHSA-N	1	0	284.447	4.837	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)C1CCC1	ZINC000444669194	330818118	/nfs/dbraw/zinc/81/81/18/330818118.db2.gz	WIPFLJWTPUAGFR-SFHVURJKSA-N	1	0	284.447	4.837	20	30		CJEDRO
CC1(C#N)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1	ZINC000444675072	330818501	/nfs/dbraw/zinc/81/85/01/330818501.db2.gz	QPEVCZZCNRVZST-UHFFFAOYSA-N	1	0	296.439	4.541	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)C(C)(C)c1ccccc1	ZINC000444675878	330818413	/nfs/dbraw/zinc/81/84/13/330818413.db2.gz	STSPSTVALKAWSH-INIZCTEOSA-N	1	0	286.463	4.662	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)(C)c1ccccc1	ZINC000444675879	330818452	/nfs/dbraw/zinc/81/84/52/330818452.db2.gz	STSPSTVALKAWSH-MRXNPFEDSA-N	1	0	286.463	4.662	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1c(F)cccc1Cl	ZINC000444676088	330818448	/nfs/dbraw/zinc/81/84/48/330818448.db2.gz	POINTNPJMRKJTC-GFCCVEGCSA-N	1	0	296.817	4.850	20	30		CJEDRO
CC1(C#N)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1	ZINC000444677983	330818770	/nfs/dbraw/zinc/81/87/70/330818770.db2.gz	XWCCRHVDKPWNRK-UHFFFAOYSA-N	1	0	296.439	4.541	20	30		CJEDRO
CCCC[C@H]1CCC[C@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000444678056	330818743	/nfs/dbraw/zinc/81/87/43/330818743.db2.gz	VOFMUZKEGQHELN-JKSUJKDBSA-N	1	0	264.457	4.655	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C1(c2ccccc2)CCCC1	ZINC000444678102	330818744	/nfs/dbraw/zinc/81/87/44/330818744.db2.gz	VYVHZGZMZXMNIY-UHFFFAOYSA-N	1	0	284.447	4.766	20	30		CJEDRO
CCCC[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CCC1	ZINC000444680019	330818960	/nfs/dbraw/zinc/81/89/60/330818960.db2.gz	COCRNYACZHCYRI-MRXNPFEDSA-N	1	0	264.457	4.655	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+]CCCCC(C)(C)C#N)c1C	ZINC000444682556	518190628	/nfs/dbraw/zinc/19/06/28/518190628.db2.gz	AQJBQVLSAPHXNQ-INIZCTEOSA-N	1	0	272.436	4.674	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C1(Cc2ccccc2)CCCC1	ZINC000444683232	330819006	/nfs/dbraw/zinc/81/90/06/330819006.db2.gz	FDIHJEMNYYFGGI-UHFFFAOYSA-N	1	0	298.474	4.852	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+]CCCCC(C)(C)C#N	ZINC000444683372	330819028	/nfs/dbraw/zinc/81/90/28/330819028.db2.gz	GHCXYXMALDXSLB-INIZCTEOSA-N	1	0	272.436	4.674	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+]CCCCC(C)(C)C#N	ZINC000444683373	330819032	/nfs/dbraw/zinc/81/90/32/330819032.db2.gz	GHCXYXMALDXSLB-MRXNPFEDSA-N	1	0	272.436	4.674	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1Cl	ZINC000444684803	330819264	/nfs/dbraw/zinc/81/92/64/330819264.db2.gz	OHIRMYMOOWUFNI-LBPRGKRZSA-N	1	0	296.817	4.850	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1	ZINC000444684963	330819330	/nfs/dbraw/zinc/81/93/30/330819330.db2.gz	PANHRDLNUPFJOR-MOPGFXCFSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1	ZINC000444684965	330819279	/nfs/dbraw/zinc/81/92/79/330819279.db2.gz	PANHRDLNUPFJOR-RBUKOAKNSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1	ZINC000444684966	330819207	/nfs/dbraw/zinc/81/92/07/330819207.db2.gz	PANHRDLNUPFJOR-RTBURBONSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C(C)(C)c1cccc(Cl)c1	ZINC000444685171	330819278	/nfs/dbraw/zinc/81/92/78/330819278.db2.gz	QOVGTAYBTYKIGI-UHFFFAOYSA-N	1	0	292.854	4.885	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C(C)(C)c1ccc(F)c(F)c1	ZINC000444685222	330819206	/nfs/dbraw/zinc/81/92/06/330819206.db2.gz	RAOPSMPZRULQDK-UHFFFAOYSA-N	1	0	294.389	4.510	20	30		CJEDRO
C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000444685492	330819191	/nfs/dbraw/zinc/81/91/91/330819191.db2.gz	ADLJSOFWNPYPFT-CABCVRRESA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000444685497	330819200	/nfs/dbraw/zinc/81/92/00/330819200.db2.gz	ADLJSOFWNPYPFT-GJZGRUSLSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000444685499	330819199	/nfs/dbraw/zinc/81/91/99/330819199.db2.gz	ADLJSOFWNPYPFT-HUUCEWRRSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCC(C)(C)C#N	ZINC000444685501	330819247	/nfs/dbraw/zinc/81/92/47/330819247.db2.gz	ADLJSOFWNPYPFT-LSDHHAIUSA-N	1	0	264.457	4.511	20	30		CJEDRO
Cc1cccc([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)c1	ZINC000444686094	261066129	/nfs/dbraw/zinc/06/61/29/261066129.db2.gz	QXYOUOIWJNCJRW-GOSISDBHSA-N	1	0	284.447	4.504	20	30		CJEDRO
Cc1cccc([C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)c1	ZINC000444686095	261066162	/nfs/dbraw/zinc/06/61/62/261066162.db2.gz	QXYOUOIWJNCJRW-SFHVURJKSA-N	1	0	284.447	4.504	20	30		CJEDRO
CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1F	ZINC000444686243	330819405	/nfs/dbraw/zinc/81/94/05/330819405.db2.gz	CGHXJKNOCFPGNH-INIZCTEOSA-N	1	0	294.389	4.726	20	30		CJEDRO
CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1F	ZINC000444686244	330819414	/nfs/dbraw/zinc/81/94/14/330819414.db2.gz	CGHXJKNOCFPGNH-MRXNPFEDSA-N	1	0	294.389	4.726	20	30		CJEDRO
Cc1cccc(C(C)(C)[NH2+]CCCCC(C)(C)C#N)c1	ZINC000444686320	330819455	/nfs/dbraw/zinc/81/94/55/330819455.db2.gz	VMHZGMQGLUOGRV-UHFFFAOYSA-N	1	0	272.436	4.540	20	30		CJEDRO
CCC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1	ZINC000444687097	330819478	/nfs/dbraw/zinc/81/94/78/330819478.db2.gz	ZPZGEUAESNAEBF-QGZVFWFLSA-N	1	0	272.436	4.837	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]CCCCC(C)(C)C#N)C1CC1	ZINC000444688729	261067459	/nfs/dbraw/zinc/06/74/59/261067459.db2.gz	KQHZCBCMFSGEHO-GOSISDBHSA-N	1	0	284.447	4.756	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CC1	ZINC000444688730	261067693	/nfs/dbraw/zinc/06/76/93/261067693.db2.gz	KQHZCBCMFSGEHO-SFHVURJKSA-N	1	0	284.447	4.756	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+]CCCCC(C)(C)C#N)c1	ZINC000444691092	261084004	/nfs/dbraw/zinc/08/40/04/261084004.db2.gz	WUQGXGCZJRFYGC-INIZCTEOSA-N	1	0	272.436	4.674	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)c1	ZINC000444691094	261083712	/nfs/dbraw/zinc/08/37/12/261083712.db2.gz	WUQGXGCZJRFYGC-MRXNPFEDSA-N	1	0	272.436	4.674	20	30		CJEDRO
C=C(CC)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1C	ZINC000444777967	330824577	/nfs/dbraw/zinc/82/45/77/330824577.db2.gz	UQEXOGYLKCXIHS-AWEZNQCLSA-N	1	0	271.326	4.544	20	30		CJEDRO
C=CCCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C	ZINC000444778926	330824671	/nfs/dbraw/zinc/82/46/71/330824671.db2.gz	JYRCQUKNAOQIKS-AWEZNQCLSA-N	1	0	271.326	4.544	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cc(Cl)ccc1Cl	ZINC000446803466	330854607	/nfs/dbraw/zinc/85/46/07/330854607.db2.gz	LJIHIXJWQOBPBQ-MDZLAQPJSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1Cl	ZINC000446831106	330855634	/nfs/dbraw/zinc/85/56/34/330855634.db2.gz	AOSUIYNODJQHND-DMDPSCGWSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1Cl	ZINC000446831109	330855588	/nfs/dbraw/zinc/85/55/88/330855588.db2.gz	AOSUIYNODJQHND-LOWVWBTDSA-N	1	0	297.229	4.726	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H](CC)c1cccc(F)c1	ZINC000446844281	330856274	/nfs/dbraw/zinc/85/62/74/330856274.db2.gz	SHCZVABJPRUMOK-GOSISDBHSA-N	1	0	299.389	4.631	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1Cl	ZINC000446851080	330856741	/nfs/dbraw/zinc/85/67/41/330856741.db2.gz	AOSUIYNODJQHND-NTZNESFSSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1Cl	ZINC000446851082	330856676	/nfs/dbraw/zinc/85/66/76/330856676.db2.gz	AOSUIYNODJQHND-WZRBSPASSA-N	1	0	297.229	4.726	20	30		CJEDRO
CC[C@H]([NH2+][C@H](c1ccccc1)C(C)C)c1ccc(C#N)cc1	ZINC000447511057	330867344	/nfs/dbraw/zinc/86/73/44/330867344.db2.gz	JZAIAMWMRDKMPF-PMACEKPBSA-N	1	0	292.426	4.996	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](c1ccccc1)C(C)C)c1ccc(C#N)cc1	ZINC000447511059	330867331	/nfs/dbraw/zinc/86/73/31/330867331.db2.gz	JZAIAMWMRDKMPF-VQTJNVASSA-N	1	0	292.426	4.996	20	30		CJEDRO
CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1	ZINC000447526063	330867856	/nfs/dbraw/zinc/86/78/56/330867856.db2.gz	CEWXDDRMYFLWKG-VQTJNVASSA-N	1	0	290.410	4.750	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1	ZINC000447526064	330867843	/nfs/dbraw/zinc/86/78/43/330867843.db2.gz	CEWXDDRMYFLWKG-WOJBJXKFSA-N	1	0	290.410	4.750	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)c1ccc(C#N)cc1	ZINC000447526108	326824832	/nfs/dbraw/zinc/82/48/32/326824832.db2.gz	AOAPVODXIAQADY-BEFAXECRSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)c1ccc(C#N)cc1	ZINC000447526109	326825343	/nfs/dbraw/zinc/82/53/43/326825343.db2.gz	AOAPVODXIAQADY-DNVCBOLYSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)c1ccc(C#N)cc1	ZINC000447526110	260036361	/nfs/dbraw/zinc/03/63/61/260036361.db2.gz	AOAPVODXIAQADY-HNAYVOBHSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)c1ccc(C#N)cc1	ZINC000447526111	260036442	/nfs/dbraw/zinc/03/64/42/260036442.db2.gz	AOAPVODXIAQADY-KXBFYZLASA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(C#N)cc1	ZINC000447529551	330868110	/nfs/dbraw/zinc/86/81/10/330868110.db2.gz	KPZDZHDNGUPAJO-INIZCTEOSA-N	1	0	298.455	4.638	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)c1ccc(C#N)cc1	ZINC000447530292	330868086	/nfs/dbraw/zinc/86/80/86/330868086.db2.gz	NPGDFMHGBZUJGT-JXFKEZNVSA-N	1	0	292.426	4.977	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)c1ccc(C#N)cc1	ZINC000447530294	330868099	/nfs/dbraw/zinc/86/80/99/330868099.db2.gz	NPGDFMHGBZUJGT-OXQOHEQNSA-N	1	0	292.426	4.977	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CCc2cc(C)ccc21)c1ccc(C#N)cc1	ZINC000447532790	330868387	/nfs/dbraw/zinc/86/83/87/330868387.db2.gz	VPWMDAGZHIUGTB-PMACEKPBSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CCc2cc(C)ccc21)c1ccc(C#N)cc1	ZINC000447532794	330868283	/nfs/dbraw/zinc/86/82/83/330868283.db2.gz	VPWMDAGZHIUGTB-UXHICEINSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1CCc2cc(C)ccc21)c1ccc(C#N)cc1	ZINC000447532795	330868319	/nfs/dbraw/zinc/86/83/19/330868319.db2.gz	VPWMDAGZHIUGTB-VQTJNVASSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H]1CCc2cc(C)ccc21)c1ccc(C#N)cc1	ZINC000447532797	330868306	/nfs/dbraw/zinc/86/83/06/330868306.db2.gz	VPWMDAGZHIUGTB-WOJBJXKFSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)CCc1ccc(C)o1)c1ccc(C#N)cc1	ZINC000447535705	330868635	/nfs/dbraw/zinc/86/86/35/330868635.db2.gz	HVTSUOIBYQBEQY-LIRRHRJNSA-N	1	0	296.414	4.522	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1Cl	ZINC000447538909	330868850	/nfs/dbraw/zinc/86/88/50/330868850.db2.gz	DUCXEFZRTDGYEE-QJPTWQEYSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1Cl	ZINC000447538914	330868967	/nfs/dbraw/zinc/86/89/67/330868967.db2.gz	DUCXEFZRTDGYEE-SRVKXCTJSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(Cl)c1Cl	ZINC000447538915	260039201	/nfs/dbraw/zinc/03/92/01/260039201.db2.gz	DUCXEFZRTDGYEE-TUAOUCFPSA-N	1	0	297.229	4.726	20	30		CJEDRO
CC[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(C#N)cc1	ZINC000447541683	330869056	/nfs/dbraw/zinc/86/90/56/330869056.db2.gz	HBSSUTXKZQCAJJ-KBXCAEBGSA-N	1	0	298.455	4.539	20	30		CJEDRO
CC[C@H]([NH2+]C[C@H](C)Cc1cccs1)c1ccc(C#N)cc1	ZINC000447541686	330869086	/nfs/dbraw/zinc/86/90/86/330869086.db2.gz	HBSSUTXKZQCAJJ-KDOFPFPSSA-N	1	0	298.455	4.539	20	30		CJEDRO
CC[C@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(C#N)cc1	ZINC000447541687	330869039	/nfs/dbraw/zinc/86/90/39/330869039.db2.gz	HBSSUTXKZQCAJJ-KSSFIOAISA-N	1	0	298.455	4.539	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(C#N)cc1	ZINC000447545887	330869431	/nfs/dbraw/zinc/86/94/31/330869431.db2.gz	SQIMFMKUZKAGDA-CQSZACIVSA-N	1	0	290.819	4.514	20	30		CJEDRO
CC[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000447559819	330869904	/nfs/dbraw/zinc/86/99/04/330869904.db2.gz	BBKVCYGONXWSNO-IFXJQAMLSA-N	1	0	296.389	4.542	20	30		CJEDRO
CC[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(C#N)cc1	ZINC000447559820	330869916	/nfs/dbraw/zinc/86/99/16/330869916.db2.gz	BBKVCYGONXWSNO-KUHUBIRLSA-N	1	0	296.389	4.542	20	30		CJEDRO
CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc21	ZINC000447560305	330870100	/nfs/dbraw/zinc/87/01/00/330870100.db2.gz	CISPTIFYHIWQBX-WOJBJXKFSA-N	1	0	290.410	4.532	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1	ZINC000447562778	330870214	/nfs/dbraw/zinc/87/02/14/330870214.db2.gz	NBODKXJTNDLLDI-COXVUDFISA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1	ZINC000447562779	260055153	/nfs/dbraw/zinc/05/51/53/260055153.db2.gz	NBODKXJTNDLLDI-JQFCIGGWSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1	ZINC000447562780	260054931	/nfs/dbraw/zinc/05/49/31/260054931.db2.gz	NBODKXJTNDLLDI-XKQJLSEDSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1	ZINC000447562781	260054787	/nfs/dbraw/zinc/05/47/87/260054787.db2.gz	NBODKXJTNDLLDI-XYPHTWIQSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccc(C#N)cc1	ZINC000447573941	330870757	/nfs/dbraw/zinc/87/07/57/330870757.db2.gz	JVHOXSHXXNJZGM-AUUYWEPGSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(C)c(F)c1)c1ccc(C#N)cc1	ZINC000447573943	330870698	/nfs/dbraw/zinc/87/06/98/330870698.db2.gz	JVHOXSHXXNJZGM-KUHUBIRLSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccc(C#N)cc1	ZINC000447575009	330870635	/nfs/dbraw/zinc/87/06/35/330870635.db2.gz	PSNFOYSIWFKJEY-GKCIPKSASA-N	1	0	290.410	4.532	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1	ZINC000447575011	330870753	/nfs/dbraw/zinc/87/07/53/330870753.db2.gz	PSNFOYSIWFKJEY-UAOJZALGSA-N	1	0	290.410	4.532	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1	ZINC000447575012	330870621	/nfs/dbraw/zinc/87/06/21/330870621.db2.gz	PSNFOYSIWFKJEY-VOBQZIQPSA-N	1	0	290.410	4.532	20	30		CJEDRO
CC[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(C#N)cc1	ZINC000447580386	330871068	/nfs/dbraw/zinc/87/10/68/330871068.db2.gz	OHIXFQISVHMJLX-IBGZPJMESA-N	1	0	290.410	4.678	20	30		CJEDRO
CC[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(C#N)cc1	ZINC000447580387	330870951	/nfs/dbraw/zinc/87/09/51/330870951.db2.gz	OHIXFQISVHMJLX-LJQANCHMSA-N	1	0	290.410	4.678	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccccc1	ZINC000447585364	330871616	/nfs/dbraw/zinc/87/16/16/330871616.db2.gz	JVDFNEBGRUVIPQ-QZTJIDSGSA-N	1	0	281.399	4.954	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)c1ccc(C#N)cc1	ZINC000447594191	330872415	/nfs/dbraw/zinc/87/24/15/330872415.db2.gz	XMSNFBDULHGJRD-DOMZBBRYSA-N	1	0	298.352	4.720	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)c1ccc(C#N)cc1	ZINC000447594192	330872541	/nfs/dbraw/zinc/87/25/41/330872541.db2.gz	XMSNFBDULHGJRD-IUODEOHRSA-N	1	0	298.352	4.720	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](CC(F)(F)F)C(C)C)c1ccc(C#N)cc1	ZINC000447595776	330872561	/nfs/dbraw/zinc/87/25/61/330872561.db2.gz	OQGZCPVTIXIFCE-GJZGRUSLSA-N	1	0	298.352	4.576	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)cc1	ZINC000447598362	330872934	/nfs/dbraw/zinc/87/29/34/330872934.db2.gz	HUZTYGPYSZRTPG-DLBZAZTESA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(C#N)cc1	ZINC000447598363	330872993	/nfs/dbraw/zinc/87/29/93/330872993.db2.gz	HUZTYGPYSZRTPG-IAGOWNOFSA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(C#N)cc1	ZINC000447598365	330872950	/nfs/dbraw/zinc/87/29/50/330872950.db2.gz	HUZTYGPYSZRTPG-SJORKVTESA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(C#N)cc1	ZINC000447600554	330873052	/nfs/dbraw/zinc/87/30/52/330873052.db2.gz	MQAMJFINRGMOTK-HXUWFJFHSA-N	1	0	290.410	4.677	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1c(C)cccc1C)c1ccc(C#N)cc1	ZINC000447600813	330873139	/nfs/dbraw/zinc/87/31/39/330873139.db2.gz	NTPWODGVPOQZBL-LPHOPBHVSA-N	1	0	292.426	4.977	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1c(C)cccc1C)c1ccc(C#N)cc1	ZINC000447600815	330873150	/nfs/dbraw/zinc/87/31/50/330873150.db2.gz	NTPWODGVPOQZBL-VQIMIIECSA-N	1	0	292.426	4.977	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(Cl)c(C)c1)c1ccc(C#N)cc1	ZINC000447605617	330873468	/nfs/dbraw/zinc/87/34/68/330873468.db2.gz	JQNJKEWUZBIZDH-SFHVURJKSA-N	1	0	298.817	4.761	20	30		CJEDRO
CC(C)[C@@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000447900172	330879681	/nfs/dbraw/zinc/87/96/81/330879681.db2.gz	AJGFRBKWZRGPLQ-LPHOPBHVSA-N	1	0	298.474	4.833	20	30		CJEDRO
CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc21	ZINC000448020961	260567058	/nfs/dbraw/zinc/56/70/58/260567058.db2.gz	FXSNJLSIXMLHEE-OHDICMOHSA-N	1	0	282.431	4.543	20	30		CJEDRO
C=CCCC[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1	ZINC000448032261	260634553	/nfs/dbraw/zinc/63/45/53/260634553.db2.gz	WFIRFWCDPJVRSS-UHFFFAOYSA-N	1	0	283.337	4.507	20	30		CJEDRO
CCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1	ZINC000449057946	330896009	/nfs/dbraw/zinc/89/60/09/330896009.db2.gz	FQZIJDKWFRJOMQ-ADKAHSJRSA-N	1	0	270.420	4.590	20	30		CJEDRO
CCC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1	ZINC000449057947	330896021	/nfs/dbraw/zinc/89/60/21/330896021.db2.gz	FQZIJDKWFRJOMQ-LXPRWKDFSA-N	1	0	270.420	4.590	20	30		CJEDRO
CC1(C#N)CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1	ZINC000449060001	330896157	/nfs/dbraw/zinc/89/61/57/330896157.db2.gz	CAJGNNULWHPJOZ-UHFFFAOYSA-N	1	0	297.229	4.555	20	30		CJEDRO
C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc2ccccc2c1	ZINC000449063214	330896454	/nfs/dbraw/zinc/89/64/54/330896454.db2.gz	LZBCKEBWNCQFEA-APMMTJHUSA-N	1	0	292.426	4.963	20	30		CJEDRO
C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc2ccccc2c1	ZINC000449063215	330896451	/nfs/dbraw/zinc/89/64/51/330896451.db2.gz	LZBCKEBWNCQFEA-VMEOHVCESA-N	1	0	292.426	4.963	20	30		CJEDRO
CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1	ZINC000449069678	330896955	/nfs/dbraw/zinc/89/69/55/330896955.db2.gz	YFFOHLXZCDDBMR-ADKAHSJRSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1	ZINC000449069679	330896934	/nfs/dbraw/zinc/89/69/34/330896934.db2.gz	YFFOHLXZCDDBMR-LXPRWKDFSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC1(C#N)CCC([NH2+]CC2(c3ccccc3)CCCC2)CC1	ZINC000449070217	330896962	/nfs/dbraw/zinc/89/69/62/330896962.db2.gz	BQBJPVXTSMHVPQ-UHFFFAOYSA-N	1	0	296.458	4.560	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1	ZINC000449072720	330897188	/nfs/dbraw/zinc/89/71/88/330897188.db2.gz	GHFISTWPHAACDH-TVRKMHQQSA-N	1	0	284.447	4.836	20	30		CJEDRO
Cc1ccc([C@H]([NH2+]C2CCC(C)(C#N)CC2)C2CC2)cc1	ZINC000449075713	330897391	/nfs/dbraw/zinc/89/73/91/330897391.db2.gz	RNSWPLOAJZMKEK-XBMUEBEBSA-N	1	0	282.431	4.508	20	30		CJEDRO
CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1	ZINC000449077747	261151382	/nfs/dbraw/zinc/15/13/82/261151382.db2.gz	WOBCTSOWBRCNNI-AQFXKWCLSA-N	1	0	290.838	4.853	20	30		CJEDRO
CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1	ZINC000449077748	261151661	/nfs/dbraw/zinc/15/16/61/261151661.db2.gz	WOBCTSOWBRCNNI-CGZBRXJRSA-N	1	0	290.838	4.853	20	30		CJEDRO
CC(C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccs1	ZINC000449085170	330898066	/nfs/dbraw/zinc/89/80/66/330898066.db2.gz	KVYYTCQSWQWYFG-CKDBGZEDSA-N	1	0	290.476	4.897	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccs1	ZINC000449085171	260208049	/nfs/dbraw/zinc/20/80/49/260208049.db2.gz	KVYYTCQSWQWYFG-ISXOHVOVSA-N	1	0	290.476	4.897	20	30		CJEDRO
CC1(C#N)CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1	ZINC000449091835	330898468	/nfs/dbraw/zinc/89/84/68/330898468.db2.gz	QVVLPBVFMIEGRT-UHFFFAOYSA-N	1	0	294.398	4.509	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1	ZINC000449097089	330898858	/nfs/dbraw/zinc/89/88/58/330898858.db2.gz	KSBLENYLXIZGQZ-FUFFSDJGSA-N	1	0	296.458	4.775	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1	ZINC000449097090	330898776	/nfs/dbraw/zinc/89/87/76/330898776.db2.gz	KSBLENYLXIZGQZ-KAXARAQCSA-N	1	0	296.458	4.775	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1	ZINC000449097092	330898789	/nfs/dbraw/zinc/89/87/89/330898789.db2.gz	KSBLENYLXIZGQZ-WBFXSEPVSA-N	1	0	296.458	4.775	20	30		CJEDRO
CC1(C#N)CCC([NH2+]CCc2csc3ccccc23)CC1	ZINC000449101476	330899037	/nfs/dbraw/zinc/89/90/37/330899037.db2.gz	FHXLZJHKHJVEFR-UHFFFAOYSA-N	1	0	298.455	4.506	20	30		CJEDRO
C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC(C)(C#N)CC1	ZINC000449107677	330899425	/nfs/dbraw/zinc/89/94/25/330899425.db2.gz	QPSAHAOXACDYKC-PPDQVPDSSA-N	1	0	298.474	4.805	20	30		CJEDRO
C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CCC(C)(C#N)CC1	ZINC000449107678	330899467	/nfs/dbraw/zinc/89/94/67/330899467.db2.gz	QPSAHAOXACDYKC-VQSBYGRUSA-N	1	0	298.474	4.805	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1	ZINC000449121375	330900101	/nfs/dbraw/zinc/90/01/01/330900101.db2.gz	HIAFGAJNHCBRAT-XBMUEBEBSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CCCCC[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000449131336	330901050	/nfs/dbraw/zinc/90/10/50/330901050.db2.gz	LXQDVGVFRMQUHA-KRWDZBQOSA-N	1	0	288.822	4.559	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1	ZINC000449136766	330901288	/nfs/dbraw/zinc/90/12/88/330901288.db2.gz	CEYIMRCJMHEISQ-CUYAVPTFSA-N	1	0	282.431	4.508	20	30		CJEDRO
C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(F)cc1Cl	ZINC000449156549	330902233	/nfs/dbraw/zinc/90/22/33/330902233.db2.gz	DYRCQFQJAYKRPM-FFKNIBCLSA-N	1	0	294.801	4.602	20	30		CJEDRO
C=CCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1	ZINC000449214891	330906761	/nfs/dbraw/zinc/90/67/61/330906761.db2.gz	YVRQDEQAVCJZEH-XBMUEBEBSA-N	1	0	282.431	4.756	20	30		CJEDRO
CC[C@@H](CC#N)[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000449241945	330909004	/nfs/dbraw/zinc/90/90/04/330909004.db2.gz	DGBBADOGIWKVIR-DLBZAZTESA-N	1	0	288.822	4.558	20	30		CJEDRO
CC[C@H](CC#N)[NH2+][C@@H]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000449241946	330908979	/nfs/dbraw/zinc/90/89/79/330908979.db2.gz	DGBBADOGIWKVIR-IAGOWNOFSA-N	1	0	288.822	4.558	20	30		CJEDRO
CC[C@@H](CC#N)[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000449241947	330908977	/nfs/dbraw/zinc/90/89/77/330908977.db2.gz	DGBBADOGIWKVIR-IRXDYDNUSA-N	1	0	288.822	4.558	20	30		CJEDRO
CC[C@H](CC#N)[NH2+][C@H]1CC=C(c2ccc(Cl)cc2)CC1	ZINC000449241948	330909001	/nfs/dbraw/zinc/90/90/01/330909001.db2.gz	DGBBADOGIWKVIR-SJORKVTESA-N	1	0	288.822	4.558	20	30		CJEDRO
CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)C1=CCCCC1	ZINC000449248107	327140673	/nfs/dbraw/zinc/14/06/73/327140673.db2.gz	HWUSUVBBELFAKW-UHFFFAOYSA-N	1	0	274.452	4.575	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1	ZINC000449249662	330909671	/nfs/dbraw/zinc/90/96/71/330909671.db2.gz	JUALKVMYSZGTAX-HJOIGYKYSA-N	1	0	279.468	4.591	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1	ZINC000449252249	330909978	/nfs/dbraw/zinc/90/99/78/330909978.db2.gz	SBQRLMSTJKVOGP-UHOSZYNNSA-N	1	0	287.447	4.631	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1	ZINC000449252250	330909973	/nfs/dbraw/zinc/90/99/73/330909973.db2.gz	SBQRLMSTJKVOGP-WDSOQIARSA-N	1	0	287.447	4.631	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1	ZINC000449252251	330909976	/nfs/dbraw/zinc/90/99/76/330909976.db2.gz	SBQRLMSTJKVOGP-YTQUADARSA-N	1	0	287.447	4.631	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1csc(C)c1)c1ccc(F)c(F)c1	ZINC000449252765	330909988	/nfs/dbraw/zinc/90/99/88/330909988.db2.gz	WHISSMQWRIUZPZ-MRXNPFEDSA-N	1	0	293.382	4.742	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)CC1	ZINC000449283394	330911658	/nfs/dbraw/zinc/91/16/58/330911658.db2.gz	KOWMOCXKUPRDJR-SOAISFHBSA-N	1	0	296.458	4.775	20	30		CJEDRO
CSc1ccccc1[C@H](C)[NH2+]C1CCC(C)(C#N)CC1	ZINC000449301312	330913083	/nfs/dbraw/zinc/91/30/83/330913083.db2.gz	GUZTVERPYOMNSO-CBCUQQMYSA-N	1	0	288.460	4.532	20	30		CJEDRO
CSc1ccc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1	ZINC000449304950	260384419	/nfs/dbraw/zinc/38/44/19/260384419.db2.gz	QMIPUUDDCPOXFL-BZOOQXSSSA-N	1	0	288.460	4.532	20	30		CJEDRO
CSc1ccc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cc1	ZINC000449304951	260384443	/nfs/dbraw/zinc/38/44/43/260384443.db2.gz	QMIPUUDDCPOXFL-KTAKPFMOSA-N	1	0	288.460	4.532	20	30		CJEDRO
Cc1cccc(CC[NH2+][C@@H](CCCC#N)c2ccccc2)c1	ZINC000449339960	330916238	/nfs/dbraw/zinc/91/62/38/330916238.db2.gz	MBQUMGQSFOJLNC-FQEVSTJZSA-N	1	0	292.426	4.562	20	30		CJEDRO
C[C@H](CC(C)(C)C)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000449340151	330916194	/nfs/dbraw/zinc/91/61/94/330916194.db2.gz	MYWMNKBNKUYMDY-NVXWUHKLSA-N	1	0	272.436	4.836	20	30		CJEDRO
C[C@@H](CC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000449340152	330916153	/nfs/dbraw/zinc/91/61/53/330916153.db2.gz	MYWMNKBNKUYMDY-RDJZCZTQSA-N	1	0	272.436	4.836	20	30		CJEDRO
C[C@H](CC(C)(C)C)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000449340153	330916198	/nfs/dbraw/zinc/91/61/98/330916198.db2.gz	MYWMNKBNKUYMDY-WBVHZDCISA-N	1	0	272.436	4.836	20	30		CJEDRO
Cc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1	ZINC000449340620	330916401	/nfs/dbraw/zinc/91/64/01/330916401.db2.gz	PJTAPAYQAAHVAH-QGZVFWFLSA-N	1	0	284.428	4.581	20	30		CJEDRO
CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@H]2c2ccccc2)CC1	ZINC000449402638	330922731	/nfs/dbraw/zinc/92/27/31/330922731.db2.gz	SDXMVGVRTXDIFK-IQNGYNMSSA-N	1	0	296.458	4.632	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1	ZINC000449444837	330925963	/nfs/dbraw/zinc/92/59/63/330925963.db2.gz	DULRLSPGUDGEAW-KXBFYZLASA-N	1	0	282.431	4.516	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1	ZINC000449445817	330926281	/nfs/dbraw/zinc/92/62/81/330926281.db2.gz	METBQSBBZANFBR-JXFKEZNVSA-N	1	0	290.410	4.526	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)s2)C1	ZINC000449445977	330926219	/nfs/dbraw/zinc/92/62/19/330926219.db2.gz	NCDXRZIKSICCEA-HOCLYGCPSA-N	1	0	296.439	4.587	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C1	ZINC000449446219	330926359	/nfs/dbraw/zinc/92/63/59/330926359.db2.gz	OZXGLMSRORMLAB-JXFKEZNVSA-N	1	0	290.410	4.526	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1	ZINC000449446950	330926413	/nfs/dbraw/zinc/92/64/13/330926413.db2.gz	UTIGIZIVUMRRDB-NBYUQASBSA-N	1	0	296.458	4.775	20	30		CJEDRO
C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](c2cccs2)C1	ZINC000449620195	330940486	/nfs/dbraw/zinc/94/04/86/330940486.db2.gz	DYEVMEXTRAGWCY-HRCADAONSA-N	1	0	293.476	4.693	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](c2cccs2)C1	ZINC000449633088	260773873	/nfs/dbraw/zinc/77/38/73/260773873.db2.gz	YKXNOVLZYXXTPJ-HRCADAONSA-N	1	0	293.476	4.693	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](c2cccs2)C1	ZINC000449633091	327398968	/nfs/dbraw/zinc/39/89/68/327398968.db2.gz	YKXNOVLZYXXTPJ-JYJNAYRXSA-N	1	0	293.476	4.693	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](c2cccs2)C1	ZINC000449633097	327398928	/nfs/dbraw/zinc/39/89/28/327398928.db2.gz	YKXNOVLZYXXTPJ-XHSDSOJGSA-N	1	0	293.476	4.693	20	30		CJEDRO
N#CCCC[C@H]([NH2+]CCC1=CCCCC1)c1ccccc1	ZINC000451063992	331014457	/nfs/dbraw/zinc/01/44/57/331014457.db2.gz	NTSMQIUEVPNLMF-IBGZPJMESA-N	1	0	282.431	4.902	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CCC1=CCCCC1)c1ccccc1	ZINC000451063993	331014503	/nfs/dbraw/zinc/01/45/03/331014503.db2.gz	NTSMQIUEVPNLMF-LJQANCHMSA-N	1	0	282.431	4.902	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1	ZINC000451067131	331014621	/nfs/dbraw/zinc/01/46/21/331014621.db2.gz	WDTPUZFVGPHNHR-GOSISDBHSA-N	1	0	268.404	4.512	20	30		CJEDRO
N#CCCC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1	ZINC000451067132	331014604	/nfs/dbraw/zinc/01/46/04/331014604.db2.gz	WDTPUZFVGPHNHR-SFHVURJKSA-N	1	0	268.404	4.512	20	30		CJEDRO
C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(C2CC2)c1	ZINC000451118650	331016444	/nfs/dbraw/zinc/01/64/44/331016444.db2.gz	XYOWCXWGFBETGT-HNNXBMFYSA-N	1	0	284.447	4.935	20	30		CJEDRO
C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(C2CC2)c1	ZINC000451118657	331016422	/nfs/dbraw/zinc/01/64/22/331016422.db2.gz	XYOWCXWGFBETGT-OAHLLOKOSA-N	1	0	284.447	4.935	20	30		CJEDRO
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC(C)(C)C#N	ZINC000451185605	331019428	/nfs/dbraw/zinc/01/94/28/331019428.db2.gz	NHTRBGFTDGECLY-JFIYKMOQSA-N	1	0	284.447	4.583	20	30		CJEDRO
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC(C)(C)C#N	ZINC000451185606	331019357	/nfs/dbraw/zinc/01/93/57/331019357.db2.gz	NHTRBGFTDGECLY-NUJGCVRESA-N	1	0	284.447	4.583	20	30		CJEDRO
C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC(C)(C)C#N	ZINC000451185607	331019366	/nfs/dbraw/zinc/01/93/66/331019366.db2.gz	NHTRBGFTDGECLY-RYRKJORJSA-N	1	0	284.447	4.583	20	30		CJEDRO
C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC(C)(C)C#N	ZINC000451185608	331019448	/nfs/dbraw/zinc/01/94/48/331019448.db2.gz	NHTRBGFTDGECLY-SOLBZPMBSA-N	1	0	284.447	4.583	20	30		CJEDRO
N#CCCCC[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1	ZINC000451740235	331040855	/nfs/dbraw/zinc/04/08/55/331040855.db2.gz	ZNJLOZGLVLYTNV-INIZCTEOSA-N	1	0	276.811	4.561	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1	ZINC000451864692	331045257	/nfs/dbraw/zinc/04/52/57/331045257.db2.gz	WYECPRRQTWHBSM-INIZCTEOSA-N	1	0	286.419	4.527	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1	ZINC000451864693	331045295	/nfs/dbraw/zinc/04/52/95/331045295.db2.gz	WYECPRRQTWHBSM-MRXNPFEDSA-N	1	0	286.419	4.527	20	30		CJEDRO
Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N	ZINC000451964215	331048525	/nfs/dbraw/zinc/04/85/25/331048525.db2.gz	AUOZDZQWSQNAEM-KRWDZBQOSA-N	1	0	288.410	4.601	20	30		CJEDRO
Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N	ZINC000451964216	331048491	/nfs/dbraw/zinc/04/84/91/331048491.db2.gz	AUOZDZQWSQNAEM-QGZVFWFLSA-N	1	0	288.410	4.601	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1	ZINC000452090946	331053882	/nfs/dbraw/zinc/05/38/82/331053882.db2.gz	RGONHVPMMOFZSW-INIZCTEOSA-N	1	0	292.426	4.647	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1	ZINC000452090953	331053887	/nfs/dbraw/zinc/05/38/87/331053887.db2.gz	RGONHVPMMOFZSW-MRXNPFEDSA-N	1	0	292.426	4.647	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccsc21)c1ccc(C#N)cc1	ZINC000453074045	331086701	/nfs/dbraw/zinc/08/67/01/331086701.db2.gz	RIPZGMIKGPKWOY-IGCXYCKISA-N	1	0	296.439	4.909	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccsc21)c1ccc(C#N)cc1	ZINC000453074054	331086708	/nfs/dbraw/zinc/08/67/08/331086708.db2.gz	RIPZGMIKGPKWOY-IIYDPXPESA-N	1	0	296.439	4.909	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CC[C@@H](C)c2ccsc21)c1ccc(C#N)cc1	ZINC000453074055	331086734	/nfs/dbraw/zinc/08/67/34/331086734.db2.gz	RIPZGMIKGPKWOY-PBFPGSCMSA-N	1	0	296.439	4.909	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccsc21)c1ccc(C#N)cc1	ZINC000453074056	331086682	/nfs/dbraw/zinc/08/66/82/331086682.db2.gz	RIPZGMIKGPKWOY-XNJGSVPQSA-N	1	0	296.439	4.909	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccsc1	ZINC000453108030	331089784	/nfs/dbraw/zinc/08/97/84/331089784.db2.gz	KDDLMSLCWSFOPQ-INIZCTEOSA-N	1	0	287.428	4.554	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccsc1	ZINC000453108031	331089843	/nfs/dbraw/zinc/08/98/43/331089843.db2.gz	KDDLMSLCWSFOPQ-MRXNPFEDSA-N	1	0	287.428	4.554	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](CC)c1ccncc1)c1ccccc1	ZINC000453174911	331097279	/nfs/dbraw/zinc/09/72/79/331097279.db2.gz	PPGWXJCAXIGMPQ-MOPGFXCFSA-N	1	0	280.415	4.830	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](CC)c1ccncc1)c1ccccc1	ZINC000453174913	331097187	/nfs/dbraw/zinc/09/71/87/331097187.db2.gz	PPGWXJCAXIGMPQ-OALUTQOASA-N	1	0	280.415	4.830	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H](CC)c1ccncc1)c1ccccc1	ZINC000453174914	331097274	/nfs/dbraw/zinc/09/72/74/331097274.db2.gz	PPGWXJCAXIGMPQ-RBUKOAKNSA-N	1	0	280.415	4.830	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](CC)c1ccncc1)c1ccccc1	ZINC000453174915	331097230	/nfs/dbraw/zinc/09/72/30/331097230.db2.gz	PPGWXJCAXIGMPQ-RTBURBONSA-N	1	0	280.415	4.830	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccsc2)cc1	ZINC000453205647	331101251	/nfs/dbraw/zinc/10/12/51/331101251.db2.gz	FIGYFDJEQUEMEN-KRWDZBQOSA-N	1	0	287.428	4.554	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H](CC)c2ccsc2)cc1	ZINC000453205648	331101249	/nfs/dbraw/zinc/10/12/49/331101249.db2.gz	FIGYFDJEQUEMEN-QGZVFWFLSA-N	1	0	287.428	4.554	20	30		CJEDRO
C[C@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)c2sccc21	ZINC000453215619	331102432	/nfs/dbraw/zinc/10/24/32/331102432.db2.gz	OBXDFYUOAKOQKT-USPMSXPRSA-N	1	0	288.460	4.606	20	30		CJEDRO
C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)c2sccc21	ZINC000453215620	331102376	/nfs/dbraw/zinc/10/23/76/331102376.db2.gz	OBXDFYUOAKOQKT-UWLZSVRSSA-N	1	0	288.460	4.606	20	30		CJEDRO
C[C@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)c2sccc21	ZINC000453215621	331102348	/nfs/dbraw/zinc/10/23/48/331102348.db2.gz	OBXDFYUOAKOQKT-WLIAPVHPSA-N	1	0	288.460	4.606	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)c2sccc21	ZINC000453215622	331102477	/nfs/dbraw/zinc/10/24/77/331102477.db2.gz	OBXDFYUOAKOQKT-WOICTCIZSA-N	1	0	288.460	4.606	20	30		CJEDRO
C[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)c2sccc21	ZINC000453216903	263203046	/nfs/dbraw/zinc/20/30/46/263203046.db2.gz	HIBXEHOJVATVGS-GXTWGEPZSA-N	1	0	276.449	4.606	20	30		CJEDRO
C[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)c2sccc21	ZINC000453216911	263202991	/nfs/dbraw/zinc/20/29/91/263202991.db2.gz	HIBXEHOJVATVGS-JSGCOSHPSA-N	1	0	276.449	4.606	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)c2sccc21	ZINC000453216919	263202987	/nfs/dbraw/zinc/20/29/87/263202987.db2.gz	HIBXEHOJVATVGS-OCCSQVGLSA-N	1	0	276.449	4.606	20	30		CJEDRO
C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)c2sccc21	ZINC000453216921	263202955	/nfs/dbraw/zinc/20/29/55/263202955.db2.gz	HIBXEHOJVATVGS-TZMCWYRMSA-N	1	0	276.449	4.606	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccncc1	ZINC000453245214	331106740	/nfs/dbraw/zinc/10/67/40/331106740.db2.gz	UFVLSVOJVSPFNL-MOPGFXCFSA-N	1	0	293.414	4.557	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccncc1	ZINC000453245817	331106729	/nfs/dbraw/zinc/10/67/29/331106729.db2.gz	UFVLSVOJVSPFNL-OALUTQOASA-N	1	0	293.414	4.557	20	30		CJEDRO
CC[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccncc1	ZINC000453245818	331106671	/nfs/dbraw/zinc/10/66/71/331106671.db2.gz	UFVLSVOJVSPFNL-RBUKOAKNSA-N	1	0	293.414	4.557	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccncc1	ZINC000453245819	331106659	/nfs/dbraw/zinc/10/66/59/331106659.db2.gz	UFVLSVOJVSPFNL-RTBURBONSA-N	1	0	293.414	4.557	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(C)c1)c1ccc(C#N)cc1	ZINC000453258023	331108395	/nfs/dbraw/zinc/10/83/95/331108395.db2.gz	NRWZEKQEGURNQI-AUUYWEPGSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(F)c(C)c1)c1ccc(C#N)cc1	ZINC000453258029	331108379	/nfs/dbraw/zinc/10/83/79/331108379.db2.gz	NRWZEKQEGURNQI-KUHUBIRLSA-N	1	0	296.389	4.808	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccco1	ZINC000453273855	331109755	/nfs/dbraw/zinc/10/97/55/331109755.db2.gz	VHIZWBNRTRFDFE-DJIMGWMZSA-N	1	0	297.398	4.789	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccco1	ZINC000453273857	331109866	/nfs/dbraw/zinc/10/98/66/331109866.db2.gz	VHIZWBNRTRFDFE-HYVNUMGLSA-N	1	0	297.398	4.789	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2s1	ZINC000453284588	331110944	/nfs/dbraw/zinc/11/09/44/331110944.db2.gz	AOLBOJOZNRKMOI-IPYPFGDCSA-N	1	0	284.428	4.634	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2s1	ZINC000453284592	331111065	/nfs/dbraw/zinc/11/10/65/331111065.db2.gz	AOLBOJOZNRKMOI-YDHLFZDLSA-N	1	0	284.428	4.634	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)ccc1Cl	ZINC000453286322	331111317	/nfs/dbraw/zinc/11/13/17/331111317.db2.gz	IWWNIPNRXSNDLA-GVXVVHGQSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)ccc1Cl	ZINC000453286329	331111270	/nfs/dbraw/zinc/11/12/70/331111270.db2.gz	IWWNIPNRXSNDLA-MDZLAQPJSA-N	1	0	297.229	4.726	20	30		CJEDRO
Cc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C2CCC2)cc1	ZINC000453287368	331111371	/nfs/dbraw/zinc/11/13/71/331111371.db2.gz	FKQAFINXSFPVNI-ZYSHUDEJSA-N	1	0	282.431	4.508	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)cc(Cl)c1	ZINC000453287452	331111424	/nfs/dbraw/zinc/11/14/24/331111424.db2.gz	GBNOKGRYUXWLMB-PGUXBMHVSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)cc(Cl)c1	ZINC000453287455	331111369	/nfs/dbraw/zinc/11/13/69/331111369.db2.gz	GBNOKGRYUXWLMB-ZETOZRRWSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c2ccccc21	ZINC000453290649	331111739	/nfs/dbraw/zinc/11/17/39/331111739.db2.gz	KZWLGXKADGLDSC-ILXRZTDVSA-N	1	0	296.389	4.712	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)c2ccccc21	ZINC000453290662	331111829	/nfs/dbraw/zinc/11/18/29/331111829.db2.gz	KZWLGXKADGLDSC-KKUMJFAQSA-N	1	0	296.389	4.712	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1	ZINC000453290670	331111783	/nfs/dbraw/zinc/11/17/83/331111783.db2.gz	LAMWNJQFAFSIPR-SNRMKQJTSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1	ZINC000453290677	331111751	/nfs/dbraw/zinc/11/17/51/331111751.db2.gz	LAMWNJQFAFSIPR-ZYSHUDEJSA-N	1	0	282.431	4.590	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Cl	ZINC000453290798	331111732	/nfs/dbraw/zinc/11/17/32/331111732.db2.gz	LYNVLMIPJHUMPO-GRDNDAEWSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1Cl	ZINC000453290812	331111745	/nfs/dbraw/zinc/11/17/45/331111745.db2.gz	LYNVLMIPJHUMPO-ZQIUZPCESA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1	ZINC000453291622	331111909	/nfs/dbraw/zinc/11/19/09/331111909.db2.gz	MHGQXQOSRUHSTC-MPGHIAIKSA-N	1	0	270.420	4.543	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1	ZINC000453291623	331111892	/nfs/dbraw/zinc/11/18/92/331111892.db2.gz	MHGQXQOSRUHSTC-VKJFTORMSA-N	1	0	270.420	4.543	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2o1	ZINC000453291648	331111842	/nfs/dbraw/zinc/11/18/42/331111842.db2.gz	MQQPBCDEFDYVRR-QOKNQOGYSA-N	1	0	296.414	4.802	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc2ccccc2o1	ZINC000453291649	331111878	/nfs/dbraw/zinc/11/18/78/331111878.db2.gz	MQQPBCDEFDYVRR-URLQWDBASA-N	1	0	296.414	4.802	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1C(C)(C)C	ZINC000453292762	331111995	/nfs/dbraw/zinc/11/19/95/331111995.db2.gz	OYZBXZZYTCBBBI-JYJNAYRXSA-N	1	0	284.447	4.717	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1C(C)(C)C	ZINC000453292767	331112007	/nfs/dbraw/zinc/11/20/07/331112007.db2.gz	OYZBXZZYTCBBBI-PMPSAXMXSA-N	1	0	284.447	4.717	20	30		CJEDRO
CCCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000453293618	331112028	/nfs/dbraw/zinc/11/20/28/331112028.db2.gz	PIQRHEFATDGSLY-RYQLBKOJSA-N	1	0	270.420	4.590	20	30		CJEDRO
CCCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1	ZINC000453293620	331112046	/nfs/dbraw/zinc/11/20/46/331112046.db2.gz	PIQRHEFATDGSLY-SZMVWBNQSA-N	1	0	270.420	4.590	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1	ZINC000453294018	331112337	/nfs/dbraw/zinc/11/23/37/331112337.db2.gz	QKNWYJZFTYDHOM-WDSOQIARSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1	ZINC000453294020	331112340	/nfs/dbraw/zinc/11/23/40/331112340.db2.gz	QKNWYJZFTYDHOM-YTQUADARSA-N	1	0	282.431	4.590	20	30		CJEDRO
CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1	ZINC000453294081	331112257	/nfs/dbraw/zinc/11/22/57/331112257.db2.gz	QNSYHFNETBBISP-ILXRZTDVSA-N	1	0	296.414	4.728	20	30		CJEDRO
CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1	ZINC000453294082	331112279	/nfs/dbraw/zinc/11/22/79/331112279.db2.gz	QNSYHFNETBBISP-KKUMJFAQSA-N	1	0	296.414	4.728	20	30		CJEDRO
CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000453294460	331112148	/nfs/dbraw/zinc/11/21/48/331112148.db2.gz	TXYDTMGVFGJJSU-JQFCIGGWSA-N	1	0	290.838	4.853	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000453294468	331112248	/nfs/dbraw/zinc/11/22/48/331112248.db2.gz	TXYDTMGVFGJJSU-RRQGHBQHSA-N	1	0	290.838	4.853	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1Cl	ZINC000453294511	331112239	/nfs/dbraw/zinc/11/22/39/331112239.db2.gz	UBVDUTBZQVOZMV-GVXVVHGQSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1Cl	ZINC000453294513	331112246	/nfs/dbraw/zinc/11/22/46/331112246.db2.gz	UBVDUTBZQVOZMV-MDZLAQPJSA-N	1	0	297.229	4.726	20	30		CJEDRO
CCSc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1	ZINC000453295133	331112344	/nfs/dbraw/zinc/11/23/44/331112344.db2.gz	RTGMLEGXGDNBFT-ILXRZTDVSA-N	1	0	288.460	4.532	20	30		CJEDRO
CCSc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1	ZINC000453295136	331112457	/nfs/dbraw/zinc/11/24/57/331112457.db2.gz	RTGMLEGXGDNBFT-KKUMJFAQSA-N	1	0	288.460	4.532	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1(c2ccccc2)CCCC1	ZINC000453295149	331112440	/nfs/dbraw/zinc/11/24/40/331112440.db2.gz	RURZCRSUKXFQPM-AOIWGVFYSA-N	1	0	296.458	4.559	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1(c2ccccc2)CCCC1	ZINC000453295155	331112399	/nfs/dbraw/zinc/11/23/99/331112399.db2.gz	RURZCRSUKXFQPM-LNLFQRSKSA-N	1	0	296.458	4.559	20	30		CJEDRO
CCSc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1	ZINC000453296191	331112503	/nfs/dbraw/zinc/11/25/03/331112503.db2.gz	UKEYFAVADQKBLU-DZKIICNBSA-N	1	0	288.460	4.532	20	30		CJEDRO
CCSc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1	ZINC000453296194	331112540	/nfs/dbraw/zinc/11/25/40/331112540.db2.gz	UKEYFAVADQKBLU-YCPHGPKFSA-N	1	0	288.460	4.532	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000453296957	331112522	/nfs/dbraw/zinc/11/25/22/331112522.db2.gz	VAIJGTSMNPENIJ-JQFCIGGWSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1	ZINC000453296958	331112583	/nfs/dbraw/zinc/11/25/83/331112583.db2.gz	VAIJGTSMNPENIJ-RRQGHBQHSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc21	ZINC000453298452	331112799	/nfs/dbraw/zinc/11/27/99/331112799.db2.gz	XYDBKLQJYXZUET-ILRDRHFLSA-N	1	0	282.431	4.543	20	30		CJEDRO
CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc21	ZINC000453298453	331112812	/nfs/dbraw/zinc/11/28/12/331112812.db2.gz	XYDBKLQJYXZUET-LNMJFAINSA-N	1	0	282.431	4.543	20	30		CJEDRO
CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc21	ZINC000453298454	331112861	/nfs/dbraw/zinc/11/28/61/331112861.db2.gz	XYDBKLQJYXZUET-SAKMYQHLSA-N	1	0	282.431	4.543	20	30		CJEDRO
CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc21	ZINC000453298455	331112831	/nfs/dbraw/zinc/11/28/31/331112831.db2.gz	XYDBKLQJYXZUET-STEAMIEHSA-N	1	0	282.431	4.543	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1F	ZINC000453298964	331112773	/nfs/dbraw/zinc/11/27/73/331112773.db2.gz	YXDUYXATRBSGSW-HUBLWGQQSA-N	1	0	294.801	4.602	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(Cl)c1F	ZINC000453298969	331112788	/nfs/dbraw/zinc/11/27/88/331112788.db2.gz	YXDUYXATRBSGSW-SLEUVZQESA-N	1	0	294.801	4.602	20	30		CJEDRO
Cc1cc2cc([C@@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)oc2cc1C	ZINC000453299031	331112856	/nfs/dbraw/zinc/11/28/56/331112856.db2.gz	ZIYYDWQBQYMYAM-VYDXJSESSA-N	1	0	296.414	4.783	20	30		CJEDRO
Cc1cc2cc([C@H](C)[NH2+][C@H]3CC[C@@H](CC#N)C3)oc2cc1C	ZINC000453299037	331112804	/nfs/dbraw/zinc/11/28/04/331112804.db2.gz	ZIYYDWQBQYMYAM-ZOBUZTSGSA-N	1	0	296.414	4.783	20	30		CJEDRO
C=C(C)CC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1	ZINC000453316175	331115648	/nfs/dbraw/zinc/11/56/48/331115648.db2.gz	JSNPEVRSIVSHQV-GFCCVEGCSA-N	1	0	290.407	4.566	20	30		CJEDRO
C=C(C)CC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1	ZINC000453316176	331115551	/nfs/dbraw/zinc/11/55/51/331115551.db2.gz	JSNPEVRSIVSHQV-LBPRGKRZSA-N	1	0	290.407	4.566	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1	ZINC000453383205	331125991	/nfs/dbraw/zinc/12/59/91/331125991.db2.gz	CBSNXJIEUXCRRT-MGPUTAFESA-N	1	0	290.410	4.595	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1	ZINC000453383206	331126060	/nfs/dbraw/zinc/12/60/60/331126060.db2.gz	CBSNXJIEUXCRRT-QRWLVFNGSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccc(C#N)cc1	ZINC000453394501	331127766	/nfs/dbraw/zinc/12/77/66/331127766.db2.gz	JDBWKZZUJJRERI-BEFAXECRSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1ccc(C#N)cc1	ZINC000453394504	331127821	/nfs/dbraw/zinc/12/78/21/331127821.db2.gz	JDBWKZZUJJRERI-DNVCBOLYSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccc(C#N)cc1	ZINC000453394507	331127841	/nfs/dbraw/zinc/12/78/41/331127841.db2.gz	JDBWKZZUJJRERI-HNAYVOBHSA-N	1	0	278.399	4.669	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1ccc(C#N)cc1	ZINC000453394510	331127803	/nfs/dbraw/zinc/12/78/03/331127803.db2.gz	JDBWKZZUJJRERI-KXBFYZLASA-N	1	0	278.399	4.669	20	30		CJEDRO
C=CCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1	ZINC000453407914	331129401	/nfs/dbraw/zinc/12/94/01/331129401.db2.gz	DYEVMEXTRAGWCY-BZUAXINKSA-N	1	0	293.476	4.693	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1	ZINC000453443211	331132026	/nfs/dbraw/zinc/13/20/26/331132026.db2.gz	YKXNOVLZYXXTPJ-BZUAXINKSA-N	1	0	293.476	4.693	20	30		CJEDRO
N#CCC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1	ZINC000459448816	331281814	/nfs/dbraw/zinc/28/18/14/331281814.db2.gz	LZTGGJMZAKNBGR-FQEVSTJZSA-N	1	0	290.410	4.699	20	30		CJEDRO
N#CCC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccccc1	ZINC000459448820	331281913	/nfs/dbraw/zinc/28/19/13/331281913.db2.gz	LZTGGJMZAKNBGR-HXUWFJFHSA-N	1	0	290.410	4.699	20	30		CJEDRO
CC(C)(C#N)CCCC[N@@H+]1Cc2sccc2CC1(C)C	ZINC000459572956	331288641	/nfs/dbraw/zinc/28/86/41/331288641.db2.gz	BPZRAENDRKTJOV-UHFFFAOYSA-N	1	0	290.476	4.605	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1	ZINC000459582476	331289296	/nfs/dbraw/zinc/28/92/96/331289296.db2.gz	RUUJBFBJPFWBAZ-KRWDZBQOSA-N	1	0	282.431	4.544	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1	ZINC000459582477	331289333	/nfs/dbraw/zinc/28/93/33/331289333.db2.gz	RUUJBFBJPFWBAZ-QGZVFWFLSA-N	1	0	282.431	4.544	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1	ZINC000459589331	331289570	/nfs/dbraw/zinc/28/95/70/331289570.db2.gz	YHPARGIGFREEDC-GOSISDBHSA-N	1	0	296.458	4.934	20	30		CJEDRO
CC(C)(C#N)CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1	ZINC000459589335	331289596	/nfs/dbraw/zinc/28/95/96/331289596.db2.gz	YHPARGIGFREEDC-SFHVURJKSA-N	1	0	296.458	4.934	20	30		CJEDRO
C[N@H+](CC(C)(C)CCC#N)[C@H]1CCC[C@@H]1c1ccccc1	ZINC000459667903	331293212	/nfs/dbraw/zinc/29/32/12/331293212.db2.gz	DKOVAAZHTWORCZ-MSOLQXFVSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000459667913	331293174	/nfs/dbraw/zinc/29/31/74/331293174.db2.gz	DKOVAAZHTWORCZ-QZTJIDSGSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CC(C)(C)CCC#N)[C@H]1CCC[C@H]1c1ccccc1	ZINC000459667917	331293191	/nfs/dbraw/zinc/29/31/91/331293191.db2.gz	DKOVAAZHTWORCZ-ROUUACIJSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCC[C@H]1c1ccccc1	ZINC000459667920	331293179	/nfs/dbraw/zinc/29/31/79/331293179.db2.gz	DKOVAAZHTWORCZ-ZWKOTPCHSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@@H]1c1ccccc1	ZINC000459679647	331293987	/nfs/dbraw/zinc/29/39/87/331293987.db2.gz	UEXYWOBCTOAQMX-MSOLQXFVSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1c1ccccc1	ZINC000459679648	331294005	/nfs/dbraw/zinc/29/40/05/331294005.db2.gz	UEXYWOBCTOAQMX-QZTJIDSGSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@H]1c1ccccc1	ZINC000459679649	331293950	/nfs/dbraw/zinc/29/39/50/331293950.db2.gz	UEXYWOBCTOAQMX-ROUUACIJSA-N	1	0	284.447	4.584	20	30		CJEDRO
C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@H]1c1ccccc1	ZINC000459679650	331293996	/nfs/dbraw/zinc/29/39/96/331293996.db2.gz	UEXYWOBCTOAQMX-ZWKOTPCHSA-N	1	0	284.447	4.584	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000459732658	331296645	/nfs/dbraw/zinc/29/66/45/331296645.db2.gz	OWBLYNNWMYEFFN-GDBMZVCRSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000459732662	331296654	/nfs/dbraw/zinc/29/66/54/331296654.db2.gz	OWBLYNNWMYEFFN-GOEBONIOSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1	ZINC000459732663	331296674	/nfs/dbraw/zinc/29/66/74/331296674.db2.gz	OWBLYNNWMYEFFN-HOCLYGCPSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)(CC#N)C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1	ZINC000459732665	331296751	/nfs/dbraw/zinc/29/67/51/331296751.db2.gz	OWBLYNNWMYEFFN-ZBFHGGJFSA-N	1	0	290.838	4.506	20	30		CJEDRO
N#C[C@@H]1CC[C@@H]([N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)C1	ZINC000459745604	331297795	/nfs/dbraw/zinc/29/77/95/331297795.db2.gz	MWNKPNXFVBAAHD-BHIYHBOVSA-N	1	0	294.442	4.686	20	30		CJEDRO
N#C[C@@H]1CC[C@H]([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)C1	ZINC000459745608	331297748	/nfs/dbraw/zinc/29/77/48/331297748.db2.gz	MWNKPNXFVBAAHD-NEWSRXKRSA-N	1	0	294.442	4.686	20	30		CJEDRO
N#C[C@@H]1CC[C@H]([N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)C1	ZINC000459745611	331297819	/nfs/dbraw/zinc/29/78/19/331297819.db2.gz	MWNKPNXFVBAAHD-NZSAHSFTSA-N	1	0	294.442	4.686	20	30		CJEDRO
N#C[C@@H]1CC[C@@H]([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)C1	ZINC000459745613	331297739	/nfs/dbraw/zinc/29/77/39/331297739.db2.gz	MWNKPNXFVBAAHD-QRQLOZEOSA-N	1	0	294.442	4.686	20	30		CJEDRO
N#CCCCC[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1	ZINC000459764321	331299260	/nfs/dbraw/zinc/29/92/60/331299260.db2.gz	ZFXLLHIPXWSUDT-GOSISDBHSA-N	1	0	282.431	4.688	20	30		CJEDRO
N#CCCCC[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1	ZINC000459764326	331299276	/nfs/dbraw/zinc/29/92/76/331299276.db2.gz	ZFXLLHIPXWSUDT-SFHVURJKSA-N	1	0	282.431	4.688	20	30		CJEDRO
C=CC[N@H+](Cc1cccs1)Cc1ccc(C(F)F)cc1	ZINC000461387954	331312858	/nfs/dbraw/zinc/31/28/58/331312858.db2.gz	OOCOVVNUYUEQBS-UHFFFAOYSA-N	1	0	293.382	4.874	20	30		CJEDRO
CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(F)F)cc1	ZINC000461394568	331312817	/nfs/dbraw/zinc/31/28/17/331312817.db2.gz	MAAMAIDLNOHQBT-UHFFFAOYSA-N	1	0	294.389	4.776	20	30		CJEDRO
C=CCC[C@H](CCC)[NH2+]CCc1ccc2ccccc2n1	ZINC000462032762	331316847	/nfs/dbraw/zinc/31/68/47/331316847.db2.gz	QDWIEUOCOVEKQE-KRWDZBQOSA-N	1	0	282.431	4.502	20	30		CJEDRO
C=CCC[C@@H](CCC)[NH2+]CCc1ccc2ccccc2n1	ZINC000462032768	331316825	/nfs/dbraw/zinc/31/68/25/331316825.db2.gz	QDWIEUOCOVEKQE-QGZVFWFLSA-N	1	0	282.431	4.502	20	30		CJEDRO
CC[C@@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl	ZINC000462058031	331317035	/nfs/dbraw/zinc/31/70/35/331317035.db2.gz	KHXJHFDLFQAUHR-KBPBESRZSA-N	1	0	299.245	4.596	20	30		CJEDRO
CC[C@H](CC#N)[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl	ZINC000462058032	331317051	/nfs/dbraw/zinc/31/70/51/331317051.db2.gz	KHXJHFDLFQAUHR-KGLIPLIRSA-N	1	0	299.245	4.596	20	30		CJEDRO
CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](CC)CC#N	ZINC000462058033	331317014	/nfs/dbraw/zinc/31/70/14/331317014.db2.gz	KHXJHFDLFQAUHR-UONOGXRCSA-N	1	0	299.245	4.596	20	30		CJEDRO
CC[C@H](CC#N)[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl	ZINC000462058034	331317056	/nfs/dbraw/zinc/31/70/56/331317056.db2.gz	KHXJHFDLFQAUHR-ZIAGYGMSSA-N	1	0	299.245	4.596	20	30		CJEDRO
CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCCC#N	ZINC000462110889	331317386	/nfs/dbraw/zinc/31/73/86/331317386.db2.gz	GTKBJYCHDHRDJL-AWEZNQCLSA-N	1	0	299.245	4.598	20	30		CJEDRO
CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCCC#N	ZINC000462110890	331317443	/nfs/dbraw/zinc/31/74/43/331317443.db2.gz	GTKBJYCHDHRDJL-CQSZACIVSA-N	1	0	299.245	4.598	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000462112010	331317478	/nfs/dbraw/zinc/31/74/78/331317478.db2.gz	LOWQPYVQHGHEDB-JXQTWKCFSA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000462112011	331317428	/nfs/dbraw/zinc/31/74/28/331317428.db2.gz	LOWQPYVQHGHEDB-RUXDESIVSA-N	1	0	277.374	4.690	20	30		CJEDRO
CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCCC#N	ZINC000462114875	331317535	/nfs/dbraw/zinc/31/75/35/331317535.db2.gz	YPXUHOTUZNGTIN-KRWDZBQOSA-N	1	0	292.854	4.581	20	30		CJEDRO
CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCCC#N	ZINC000462114876	331317258	/nfs/dbraw/zinc/31/72/58/331317258.db2.gz	YPXUHOTUZNGTIN-QGZVFWFLSA-N	1	0	292.854	4.581	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1	ZINC000462116338	331317577	/nfs/dbraw/zinc/31/75/77/331317577.db2.gz	HMEGZBINDPQMQU-IHRRRGAJSA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000462116339	331317489	/nfs/dbraw/zinc/31/74/89/331317489.db2.gz	HMEGZBINDPQMQU-MCIONIFRSA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000462116340	331317534	/nfs/dbraw/zinc/31/75/34/331317534.db2.gz	HMEGZBINDPQMQU-MJBXVCDLSA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000462116341	331317490	/nfs/dbraw/zinc/31/74/90/331317490.db2.gz	HMEGZBINDPQMQU-RDBSUJKOSA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]Cc1ccc(-c2ccncc2)cc1	ZINC000462116886	331317501	/nfs/dbraw/zinc/31/75/01/331317501.db2.gz	KGNBKQILQDYQLU-IBGZPJMESA-N	1	0	280.415	4.583	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+]Cc1ccc(-c2ccncc2)cc1	ZINC000462116887	331317504	/nfs/dbraw/zinc/31/75/04/331317504.db2.gz	KGNBKQILQDYQLU-LJQANCHMSA-N	1	0	280.415	4.583	20	30		CJEDRO
C=CCC[C@H](CCC)[NH2+]Cc1ncoc1-c1ccccc1	ZINC000462122289	331317749	/nfs/dbraw/zinc/31/77/49/331317749.db2.gz	SGAMWFSJRSWWOW-INIZCTEOSA-N	1	0	284.403	4.566	20	30		CJEDRO
C=CCC[C@@H](CCC)[NH2+]Cc1ncoc1-c1ccccc1	ZINC000462122290	331317819	/nfs/dbraw/zinc/31/78/19/331317819.db2.gz	SGAMWFSJRSWWOW-MRXNPFEDSA-N	1	0	284.403	4.566	20	30		CJEDRO
CC#CCC[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C	ZINC000462329297	331319746	/nfs/dbraw/zinc/31/97/46/331319746.db2.gz	VYUNURMQFVDTCT-HNNXBMFYSA-N	1	0	298.455	4.525	20	30		CJEDRO
CC#CCC[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C	ZINC000462329298	331319858	/nfs/dbraw/zinc/31/98/58/331319858.db2.gz	VYUNURMQFVDTCT-OAHLLOKOSA-N	1	0	298.455	4.525	20	30		CJEDRO
C[C@H]1CC[N@H+](CCCC(C)(C)C#N)CC12CCCCC2	ZINC000462462996	331322365	/nfs/dbraw/zinc/32/23/65/331322365.db2.gz	FTMMJRJPQNMOID-INIZCTEOSA-N	1	0	276.468	4.609	20	30		CJEDRO
C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)CC12CCCCC2	ZINC000462463003	331322313	/nfs/dbraw/zinc/32/23/13/331322313.db2.gz	FTMMJRJPQNMOID-MRXNPFEDSA-N	1	0	276.468	4.609	20	30		CJEDRO
C=CCCC[NH2+][C@H](C)c1csc(-c2ccccc2F)n1	ZINC000462804894	331329880	/nfs/dbraw/zinc/32/98/80/331329880.db2.gz	QZJSQIBAHBFDKG-GFCCVEGCSA-N	1	0	290.407	4.566	20	30		CJEDRO
C=CCCC[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1	ZINC000462804896	331329864	/nfs/dbraw/zinc/32/98/64/331329864.db2.gz	QZJSQIBAHBFDKG-LBPRGKRZSA-N	1	0	290.407	4.566	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21	ZINC000462821611	331331192	/nfs/dbraw/zinc/33/11/92/331331192.db2.gz	MFRNXLMGEYUCII-CABCVRRESA-N	1	0	284.447	4.778	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1	ZINC000462824796	331331285	/nfs/dbraw/zinc/33/12/85/331331285.db2.gz	ZBJTUCDZLBIGJU-NEPJUHHUSA-N	1	0	290.407	4.564	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1	ZINC000462824797	331331254	/nfs/dbraw/zinc/33/12/54/331331254.db2.gz	ZBJTUCDZLBIGJU-NWDGAFQWSA-N	1	0	290.407	4.564	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1	ZINC000462824798	331331332	/nfs/dbraw/zinc/33/13/32/331331332.db2.gz	ZBJTUCDZLBIGJU-RYUDHWBXSA-N	1	0	290.407	4.564	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1	ZINC000462824799	331331277	/nfs/dbraw/zinc/33/12/77/331331277.db2.gz	ZBJTUCDZLBIGJU-VXGBXAGGSA-N	1	0	290.407	4.564	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]Cc1ccc(C2CCCC2)cc1	ZINC000462900581	331334395	/nfs/dbraw/zinc/33/43/95/331334395.db2.gz	NXRAOIUESFFZSP-UHFFFAOYSA-N	1	0	284.447	4.764	20	30		CJEDRO
C[C@H]1CC[N@H+](CC(C)(C)CCC#N)CC12CCCCC2	ZINC000463051799	331338758	/nfs/dbraw/zinc/33/87/58/331338758.db2.gz	CNRYFGDNAAYRGJ-INIZCTEOSA-N	1	0	276.468	4.609	20	30		CJEDRO
C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)CC12CCCCC2	ZINC000463051800	331338698	/nfs/dbraw/zinc/33/86/98/331338698.db2.gz	CNRYFGDNAAYRGJ-MRXNPFEDSA-N	1	0	276.468	4.609	20	30		CJEDRO
C[C@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1	ZINC000463220223	331342682	/nfs/dbraw/zinc/34/26/82/331342682.db2.gz	BQOSBSSPEGTSOE-GOSISDBHSA-N	1	0	292.426	4.944	20	30		CJEDRO
C[C@@H](c1ccccc1)[N@H+](CCCCC#N)Cc1ccccc1	ZINC000463233511	331343321	/nfs/dbraw/zinc/34/33/21/331343321.db2.gz	BQOSBSSPEGTSOE-SFHVURJKSA-N	1	0	292.426	4.944	20	30		CJEDRO
CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1	ZINC000463237964	331343580	/nfs/dbraw/zinc/34/35/80/331343580.db2.gz	MYQJVWWOVVJKRF-IHJVYAAUSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1	ZINC000463237966	331343599	/nfs/dbraw/zinc/34/35/99/331343599.db2.gz	MYQJVWWOVVJKRF-OTBHMBEGSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1	ZINC000463237967	331343666	/nfs/dbraw/zinc/34/36/66/331343666.db2.gz	MYQJVWWOVVJKRF-OXHPOLQJSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC1(c2ccccc2)CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1	ZINC000463237969	331343592	/nfs/dbraw/zinc/34/35/92/331343592.db2.gz	MYQJVWWOVVJKRF-VHBXLISGSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccs1	ZINC000463278222	331344867	/nfs/dbraw/zinc/34/48/67/331344867.db2.gz	GFYSIAKLRHUYMA-ILXRZTDVSA-N	1	0	276.449	4.507	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccs1	ZINC000463278224	331344873	/nfs/dbraw/zinc/34/48/73/331344873.db2.gz	GFYSIAKLRHUYMA-KFWWJZLASA-N	1	0	276.449	4.507	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccs1	ZINC000463278526	331344872	/nfs/dbraw/zinc/34/48/72/331344872.db2.gz	GFYSIAKLRHUYMA-KKUMJFAQSA-N	1	0	276.449	4.507	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccs1	ZINC000463278527	331344834	/nfs/dbraw/zinc/34/48/34/331344834.db2.gz	GFYSIAKLRHUYMA-ZNMIVQPWSA-N	1	0	276.449	4.507	20	30		CJEDRO
CCC(CC)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccs1	ZINC000463281827	331345026	/nfs/dbraw/zinc/34/50/26/331345026.db2.gz	JBGGPQBWNXUUID-KMFMINBZSA-N	1	0	290.476	4.897	20	30		CJEDRO
CCC(CC)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccs1	ZINC000463281828	331344973	/nfs/dbraw/zinc/34/49/73/331344973.db2.gz	JBGGPQBWNXUUID-LXZKKBNFSA-N	1	0	290.476	4.897	20	30		CJEDRO
CCC(CC)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccs1	ZINC000463281829	331345067	/nfs/dbraw/zinc/34/50/67/331345067.db2.gz	JBGGPQBWNXUUID-QRTARXTBSA-N	1	0	290.476	4.897	20	30		CJEDRO
CCC(CC)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccs1	ZINC000463281830	331345092	/nfs/dbraw/zinc/34/50/92/331345092.db2.gz	JBGGPQBWNXUUID-UNEWFSDZSA-N	1	0	290.476	4.897	20	30		CJEDRO
N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1	ZINC000463282455	331345016	/nfs/dbraw/zinc/34/50/16/331345016.db2.gz	MOLKDKWTCGTAIF-ATZDWAIDSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1	ZINC000463282456	331345011	/nfs/dbraw/zinc/34/50/11/331345011.db2.gz	MOLKDKWTCGTAIF-AYOQOUSVSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1	ZINC000463282457	331345083	/nfs/dbraw/zinc/34/50/83/331345083.db2.gz	MOLKDKWTCGTAIF-LZQZEXGQSA-N	1	0	282.431	4.590	20	30		CJEDRO
N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1	ZINC000463282458	331345053	/nfs/dbraw/zinc/34/50/53/331345053.db2.gz	MOLKDKWTCGTAIF-MNEFBYGVSA-N	1	0	282.431	4.590	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000463284774	331345188	/nfs/dbraw/zinc/34/51/88/331345188.db2.gz	QPJJJCSMXOCERT-DMDPSCGWSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000463284779	331345177	/nfs/dbraw/zinc/34/51/77/331345177.db2.gz	QPJJJCSMXOCERT-GMXVVIOVSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000463284781	331345201	/nfs/dbraw/zinc/34/52/01/331345201.db2.gz	QPJJJCSMXOCERT-GVXVVHGQSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1	ZINC000463284783	331345106	/nfs/dbraw/zinc/34/51/06/331345106.db2.gz	QPJJJCSMXOCERT-LOWVWBTDSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cc(Cl)ccc1Cl	ZINC000463286761	331345351	/nfs/dbraw/zinc/34/53/51/331345351.db2.gz	LJIHIXJWQOBPBQ-DMDPSCGWSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cc(Cl)ccc1Cl	ZINC000463286762	331345279	/nfs/dbraw/zinc/34/52/79/331345279.db2.gz	LJIHIXJWQOBPBQ-GMXVVIOVSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cc(Cl)ccc1Cl	ZINC000463286763	331345113	/nfs/dbraw/zinc/34/51/13/331345113.db2.gz	LJIHIXJWQOBPBQ-GVXVVHGQSA-N	1	0	297.229	4.726	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cc(Cl)ccc1Cl	ZINC000463286764	331345198	/nfs/dbraw/zinc/34/51/98/331345198.db2.gz	LJIHIXJWQOBPBQ-LOWVWBTDSA-N	1	0	297.229	4.726	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000463295423	331345664	/nfs/dbraw/zinc/34/56/64/331345664.db2.gz	KMTRXXLXBUOWRE-IAOVAPTHSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000463295424	331345715	/nfs/dbraw/zinc/34/57/15/331345715.db2.gz	KMTRXXLXBUOWRE-KBRIMQKVSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000463295425	262308765	/nfs/dbraw/zinc/30/87/65/262308765.db2.gz	KMTRXXLXBUOWRE-RRQGHBQHSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000463295426	262308613	/nfs/dbraw/zinc/30/86/13/262308613.db2.gz	KMTRXXLXBUOWRE-XOKHGSTOSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl	ZINC000463295869	331345652	/nfs/dbraw/zinc/34/56/52/331345652.db2.gz	AGAIDRRALYHORW-CPUCHLNUSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl	ZINC000463295871	331345713	/nfs/dbraw/zinc/34/57/13/331345713.db2.gz	AGAIDRRALYHORW-KEYYUXOJSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1Cl	ZINC000463295872	331345666	/nfs/dbraw/zinc/34/56/66/331345666.db2.gz	AGAIDRRALYHORW-VBQJREDUSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl	ZINC000463295874	331345640	/nfs/dbraw/zinc/34/56/40/331345640.db2.gz	AGAIDRRALYHORW-ZQIUZPCESA-N	1	0	290.838	4.709	20	30		CJEDRO
C=CC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1	ZINC000464761791	331366623	/nfs/dbraw/zinc/36/66/23/331366623.db2.gz	QFTXSFLBBVGBAD-HNNXBMFYSA-N	1	0	251.373	4.532	20	30		CJEDRO
C=CC[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1	ZINC000464761792	331366635	/nfs/dbraw/zinc/36/66/35/331366635.db2.gz	QFTXSFLBBVGBAD-OAHLLOKOSA-N	1	0	251.373	4.532	20	30		CJEDRO
C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCC#N	ZINC000464764963	331366768	/nfs/dbraw/zinc/36/67/68/331366768.db2.gz	JALCKGSJMJCVCE-INIZCTEOSA-N	1	0	278.399	4.650	20	30		CJEDRO
C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCCC#N	ZINC000464764964	331366718	/nfs/dbraw/zinc/36/67/18/331366718.db2.gz	JALCKGSJMJCVCE-MRXNPFEDSA-N	1	0	278.399	4.650	20	30		CJEDRO
Cc1cccc([C@H]2CCCC[N@@H+]2CCCCC#N)c1C	ZINC000464774788	331367473	/nfs/dbraw/zinc/36/74/73/331367473.db2.gz	IVTQYBMZTDEOKL-GOSISDBHSA-N	1	0	270.420	4.524	20	30		CJEDRO
Cc1cccc([C@@H]2CCCC[N@@H+]2CCCCC#N)c1C	ZINC000464774789	331367351	/nfs/dbraw/zinc/36/73/51/331367351.db2.gz	IVTQYBMZTDEOKL-SFHVURJKSA-N	1	0	270.420	4.524	20	30		CJEDRO
C=C(C[NH2+]CC1CCC(C(F)(F)F)CC1)c1ccccc1	ZINC000466360329	331393335	/nfs/dbraw/zinc/39/33/35/331393335.db2.gz	BSKUWKQFVFUXOR-UHFFFAOYSA-N	1	0	297.364	4.658	20	30		CJEDRO
C=CC[C@H](CC)[NH2+]Cc1cnc(-c2ccc(C)cc2)s1	ZINC000466388136	331394480	/nfs/dbraw/zinc/39/44/80/331394480.db2.gz	WTETXAHZFSPMCK-HNNXBMFYSA-N	1	0	286.444	4.563	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+]Cc1cnc(-c2ccc(C)cc2)s1	ZINC000466388137	331394413	/nfs/dbraw/zinc/39/44/13/331394413.db2.gz	WTETXAHZFSPMCK-OAHLLOKOSA-N	1	0	286.444	4.563	20	30		CJEDRO
C=CC[C@H](CC)[NH2+]Cc1csc(-c2ccc(C)cc2)n1	ZINC000466399883	331395013	/nfs/dbraw/zinc/39/50/13/331395013.db2.gz	RSCBGRVEAYYRTN-HNNXBMFYSA-N	1	0	286.444	4.563	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+]Cc1csc(-c2ccc(C)cc2)n1	ZINC000466399885	327737170	/nfs/dbraw/zinc/73/71/70/327737170.db2.gz	RSCBGRVEAYYRTN-OAHLLOKOSA-N	1	0	286.444	4.563	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000466467932	331397749	/nfs/dbraw/zinc/39/77/49/331397749.db2.gz	ZELOGOXKYPXGTC-HSBZDZAISA-N	1	0	277.374	4.690	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000466467933	331397827	/nfs/dbraw/zinc/39/78/27/331397827.db2.gz	ZELOGOXKYPXGTC-IYXRBSQSSA-N	1	0	277.374	4.690	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+]C1(Cc2ccccc2)CCCCC1	ZINC000467183827	331411927	/nfs/dbraw/zinc/41/19/27/331411927.db2.gz	UECDZJLPBCFAQF-UHFFFAOYSA-N	1	0	298.474	4.852	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000467401913	331417618	/nfs/dbraw/zinc/41/76/18/331417618.db2.gz	BYVMFHRYTYDHJA-DZGCQCFKSA-N	1	0	286.444	4.815	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1	ZINC000467401915	331417655	/nfs/dbraw/zinc/41/76/55/331417655.db2.gz	BYVMFHRYTYDHJA-UKRRQHHQSA-N	1	0	286.444	4.815	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000467402051	331253005	/nfs/dbraw/zinc/25/30/05/331253005.db2.gz	BYVMFHRYTYDHJA-ZFWWWQNUSA-N	1	0	286.444	4.815	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1	ZINC000467402300	331417621	/nfs/dbraw/zinc/41/76/21/331417621.db2.gz	GFUUUHGZNASXDG-DNVCBOLYSA-N	1	0	280.415	4.754	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1	ZINC000467402301	331417672	/nfs/dbraw/zinc/41/76/72/331417672.db2.gz	GFUUUHGZNASXDG-HNAYVOBHSA-N	1	0	280.415	4.754	20	30		CJEDRO
C=CC[C@H](CC)[NH2+][C@H](C)c1sc(C(C)C)nc1C	ZINC000467410097	331418064	/nfs/dbraw/zinc/41/80/64/331418064.db2.gz	DGJXJTPYDDFDIV-YPMHNXCESA-N	1	0	266.454	4.580	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1	ZINC000467411513	331418073	/nfs/dbraw/zinc/41/80/73/331418073.db2.gz	DFOZPHVJCFTIQD-DNVCBOLYSA-N	1	0	280.415	4.754	20	30		CJEDRO
C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1	ZINC000467411515	331418076	/nfs/dbraw/zinc/41/80/76/331418076.db2.gz	DFOZPHVJCFTIQD-HNAYVOBHSA-N	1	0	280.415	4.754	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H]1CCSc2ccc(OC)cc21	ZINC000467419702	331418494	/nfs/dbraw/zinc/41/84/94/331418494.db2.gz	RQUYIZMITSZWGP-BBRMVZONSA-N	1	0	291.460	4.567	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H]1CCSc2ccc(OC)cc21	ZINC000467419704	331418549	/nfs/dbraw/zinc/41/85/49/331418549.db2.gz	RQUYIZMITSZWGP-CZUORRHYSA-N	1	0	291.460	4.567	20	30		CJEDRO
CC[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(C#N)cc1	ZINC000467445682	328281942	/nfs/dbraw/zinc/28/19/42/328281942.db2.gz	BDIPGLBAJAMQPY-SOAGJPPSSA-N	1	0	290.410	4.545	20	30		CJEDRO
CC(C)C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccs1	ZINC000467454620	331420399	/nfs/dbraw/zinc/42/03/99/331420399.db2.gz	JTQYOYYDWKILBF-KRWDZBQOSA-N	1	0	298.455	4.539	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]Cc1cccc(-c2cccnc2)c1	ZINC000467638095	331422960	/nfs/dbraw/zinc/42/29/60/331422960.db2.gz	DMVFAEAXYRGOAC-IBGZPJMESA-N	1	0	280.415	4.583	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1	ZINC000469783838	331458357	/nfs/dbraw/zinc/45/83/57/331458357.db2.gz	RFZPYQRIFRHRKB-OLZOCXBDSA-N	1	0	266.454	4.662	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H](C)c1csc(C(C)C)n1	ZINC000469783839	331458347	/nfs/dbraw/zinc/45/83/47/331458347.db2.gz	RFZPYQRIFRHRKB-QWHCGFSZSA-N	1	0	266.454	4.662	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1csc(C(C)C)n1	ZINC000469783840	331458486	/nfs/dbraw/zinc/45/84/86/331458486.db2.gz	RFZPYQRIFRHRKB-STQMWFEESA-N	1	0	266.454	4.662	20	30		CJEDRO
C[C@H](CCC1CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000469805615	331461432	/nfs/dbraw/zinc/46/14/32/331461432.db2.gz	DOIFCJJWJFSCLK-PBPGXSGUSA-N	1	0	296.458	4.559	20	30		CJEDRO
N#C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCCC2)c2ccccc2)C1	ZINC000471581967	331511141	/nfs/dbraw/zinc/51/11/41/331511141.db2.gz	LTXKNJKEMWXHOZ-BHIYHBOVSA-N	1	0	282.431	4.590	20	30		CJEDRO
C=CCCCC[NH2+][C@H](C)c1sc(C(C)C)nc1C	ZINC000471583865	331511069	/nfs/dbraw/zinc/51/10/69/331511069.db2.gz	CINDMIVHGNVSIM-GFCCVEGCSA-N	1	0	266.454	4.582	20	30		CJEDRO
C=CCCCC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1	ZINC000471584937	331511251	/nfs/dbraw/zinc/51/12/51/331511251.db2.gz	JRZDYQZZADQFQU-ZIAGYGMSSA-N	1	0	288.460	4.734	20	30		CJEDRO
C=CCCCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000471594709	331512103	/nfs/dbraw/zinc/51/21/03/331512103.db2.gz	DTUWIEYRBVZXFN-AWEZNQCLSA-N	1	0	286.444	4.817	20	30		CJEDRO
C=CCCCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1	ZINC000471594710	331512071	/nfs/dbraw/zinc/51/20/71/331512071.db2.gz	DTUWIEYRBVZXFN-CQSZACIVSA-N	1	0	286.444	4.817	20	30		CJEDRO
C=CCCCC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1	ZINC000471601205	331287235	/nfs/dbraw/zinc/28/72/35/331287235.db2.gz	HQYOIHIYCYFPFB-INIZCTEOSA-N	1	0	280.415	4.756	20	30		CJEDRO
C=CCCCC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1	ZINC000471601206	331287154	/nfs/dbraw/zinc/28/71/54/331287154.db2.gz	HQYOIHIYCYFPFB-MRXNPFEDSA-N	1	0	280.415	4.756	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000471602819	331512468	/nfs/dbraw/zinc/51/24/68/331512468.db2.gz	PZUHWYVOBZRAEX-JQFCIGGWSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1	ZINC000471602820	331512426	/nfs/dbraw/zinc/51/24/26/331512426.db2.gz	PZUHWYVOBZRAEX-XKQJLSEDSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1	ZINC000471602821	331512543	/nfs/dbraw/zinc/51/25/43/331512543.db2.gz	PZUHWYVOBZRAEX-XYPHTWIQSA-N	1	0	288.410	4.585	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1	ZINC000471609641	331513002	/nfs/dbraw/zinc/51/30/02/331513002.db2.gz	JVJGPFNULNSMNN-COXVUDFISA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1	ZINC000471609642	331512940	/nfs/dbraw/zinc/51/29/40/331512940.db2.gz	JVJGPFNULNSMNN-JQFCIGGWSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1	ZINC000471609643	331512950	/nfs/dbraw/zinc/51/29/50/331512950.db2.gz	JVJGPFNULNSMNN-XKQJLSEDSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1	ZINC000471609644	331293486	/nfs/dbraw/zinc/29/34/86/331293486.db2.gz	JVJGPFNULNSMNN-XYPHTWIQSA-N	1	0	290.838	4.709	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000471698358	331516252	/nfs/dbraw/zinc/51/62/52/331516252.db2.gz	UYKUIOPZZYRLSZ-MRXNPFEDSA-N	1	0	292.854	4.957	20	30		CJEDRO
CCc1ccc([C@@H]([NH2+]CCCC(C)(C)C#N)C(C)C)cc1	ZINC000471710414	331517424	/nfs/dbraw/zinc/51/74/24/331517424.db2.gz	AUKPKMLVUNABAF-SFHVURJKSA-N	1	0	286.463	4.866	20	30		CJEDRO
CCc1oc2ccccc2c1C[N@H+](C)CCCC(C)(C)C#N	ZINC000471716222	263259495	/nfs/dbraw/zinc/25/94/95/263259495.db2.gz	OGFGSIVBOQDXPD-UHFFFAOYSA-N	1	0	298.430	4.757	20	30		CJEDRO
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N	ZINC000472229070	331532167	/nfs/dbraw/zinc/53/21/67/331532167.db2.gz	IGAGRWIQQPDYLV-CABCVRRESA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N	ZINC000472229073	331532209	/nfs/dbraw/zinc/53/22/09/331532209.db2.gz	IGAGRWIQQPDYLV-GJZGRUSLSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C	ZINC000472229074	331532133	/nfs/dbraw/zinc/53/21/33/331532133.db2.gz	IGAGRWIQQPDYLV-HUUCEWRRSA-N	1	0	264.457	4.511	20	30		CJEDRO
Cc1cccc(C2([NH2+]CCCC(C)(C)C#N)CCCC2)c1	ZINC000472251764	331533612	/nfs/dbraw/zinc/53/36/12/331533612.db2.gz	UORJVBWNCHFOBD-UHFFFAOYSA-N	1	0	284.447	4.684	20	30		CJEDRO
CCC1(CC)CCC([NH2+]CC(C)(C)CCC#N)CC1	ZINC000474004576	331562379	/nfs/dbraw/zinc/56/23/79/331562379.db2.gz	HWYXWJAWORAFGL-UHFFFAOYSA-N	1	0	264.457	4.655	20	30		CJEDRO
C=C(C[NH2+][C@@H](C)C1CCC(F)(F)CC1)c1ccccc1	ZINC000474022317	331562747	/nfs/dbraw/zinc/56/27/47/331562747.db2.gz	JKGDICMGXAWJBS-AWEZNQCLSA-N	1	0	279.374	4.503	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1	ZINC000474050363	331565630	/nfs/dbraw/zinc/56/56/30/331565630.db2.gz	DETATVNIPOEVIY-STQMWFEESA-N	1	0	259.384	4.535	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1	ZINC000474105142	331571066	/nfs/dbraw/zinc/57/10/66/331571066.db2.gz	IZWCWKABVGXSOC-NEPJUHHUSA-N	1	0	261.340	4.577	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1	ZINC000474105148	331571088	/nfs/dbraw/zinc/57/10/88/331571088.db2.gz	IZWCWKABVGXSOC-VXGBXAGGSA-N	1	0	261.340	4.577	20	30		CJEDRO
CC[C@@H](CC#N)[NH2+]CCCCc1ccc(Cl)c(Cl)c1	ZINC000474929698	331604567	/nfs/dbraw/zinc/60/45/67/331604567.db2.gz	RAOHUZDYSWMKHE-ZDUSSCGKSA-N	1	0	299.245	4.598	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+][C@H](c1ccc(C)cc1)c1ccccn1	ZINC000475337260	331627360	/nfs/dbraw/zinc/62/73/60/331627360.db2.gz	PYZFOSNITFFLHX-AZUAARDMSA-N	1	0	294.442	4.814	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1	ZINC000475337262	517329074	/nfs/dbraw/zinc/32/90/74/517329074.db2.gz	PYZFOSNITFFLHX-QUCCMNQESA-N	1	0	294.442	4.814	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](c1ccc(C)cc1)c1ccccn1	ZINC000475337263	331627364	/nfs/dbraw/zinc/62/73/64/331627364.db2.gz	PYZFOSNITFFLHX-UYAOXDASSA-N	1	0	294.442	4.814	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cc2cccc(F)c2o1	ZINC000475692477	331642417	/nfs/dbraw/zinc/64/24/17/331642417.db2.gz	GXWISRUJHBKGKT-GFCCVEGCSA-N	1	0	288.366	4.552	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)c1ccco1	ZINC000476025055	331651619	/nfs/dbraw/zinc/65/16/19/331651619.db2.gz	WKUSSDQPRRTRQO-ILXRZTDVSA-N	1	0	279.449	4.551	20	30		CJEDRO
CC(C)c1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1	ZINC000478409000	331705516	/nfs/dbraw/zinc/70/55/16/331705516.db2.gz	NPFCWXQDQMSARY-HNNXBMFYSA-N	1	0	278.399	4.532	20	30		CJEDRO
Cc1ccc([C@H]([NH2+]CCCC#N)C2CCCCC2)cc1	ZINC000479273014	331723236	/nfs/dbraw/zinc/72/32/36/331723236.db2.gz	AXZUTYVMLGAQGX-GOSISDBHSA-N	1	0	270.420	4.510	20	30		CJEDRO
Cc1ccc([C@H]([NH2+]CCCCC#N)C2CCCCC2)cc1	ZINC000479277076	265045971	/nfs/dbraw/zinc/04/59/71/265045971.db2.gz	ISQYVYNLYIYKPJ-LJQANCHMSA-N	1	0	284.447	4.900	20	30		CJEDRO
CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1	ZINC000480531060	331776304	/nfs/dbraw/zinc/77/63/04/331776304.db2.gz	XKINOLRAZUOKRW-GOSISDBHSA-N	1	0	298.817	4.699	20	30		CJEDRO
CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccccc1	ZINC000480531061	331776172	/nfs/dbraw/zinc/77/61/72/331776172.db2.gz	XKINOLRAZUOKRW-SFHVURJKSA-N	1	0	298.817	4.699	20	30		CJEDRO
CC(C)c1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1	ZINC000480674369	331783634	/nfs/dbraw/zinc/78/36/34/331783634.db2.gz	KFHYRULUIBWDFP-CQSZACIVSA-N	1	0	296.389	4.672	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(F)c(F)c1	ZINC000480681928	331784201	/nfs/dbraw/zinc/78/42/01/331784201.db2.gz	NMRGEOHWEFDVAG-ACJLOTCBSA-N	1	0	287.353	4.933	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccc(F)c(F)c1	ZINC000480681929	331784251	/nfs/dbraw/zinc/78/42/51/331784251.db2.gz	NMRGEOHWEFDVAG-FZKQIMNGSA-N	1	0	287.353	4.933	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(F)c(F)c1	ZINC000480681930	331784399	/nfs/dbraw/zinc/78/43/99/331784399.db2.gz	NMRGEOHWEFDVAG-SCLBCKFNSA-N	1	0	287.353	4.933	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(F)c(F)c1	ZINC000480681932	331784198	/nfs/dbraw/zinc/78/41/98/331784198.db2.gz	NMRGEOHWEFDVAG-UGSOOPFHSA-N	1	0	287.353	4.933	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(C)cc1	ZINC000480871534	331790208	/nfs/dbraw/zinc/79/02/08/331790208.db2.gz	SLVAUXYFXDFHCO-SFHVURJKSA-N	1	0	298.817	4.761	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1	ZINC000481171914	331799702	/nfs/dbraw/zinc/79/97/02/331799702.db2.gz	QUUJIZFHPJYHGB-MOPGFXCFSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1	ZINC000481171920	331799695	/nfs/dbraw/zinc/79/96/95/331799695.db2.gz	QUUJIZFHPJYHGB-RBUKOAKNSA-N	1	0	298.474	4.707	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1C#N	ZINC000481176409	331800129	/nfs/dbraw/zinc/80/01/29/331800129.db2.gz	JXIXOHYLYLUNCY-AWEZNQCLSA-N	1	0	298.817	4.679	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C#N	ZINC000481176417	331799943	/nfs/dbraw/zinc/79/99/43/331799943.db2.gz	JXIXOHYLYLUNCY-CQSZACIVSA-N	1	0	298.817	4.679	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](CC1CCC1)c1ccccc1	ZINC000481210839	331801147	/nfs/dbraw/zinc/80/11/47/331801147.db2.gz	MWTPMTKRASFCPF-GOSISDBHSA-N	1	0	284.447	4.837	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481659657	331811408	/nfs/dbraw/zinc/81/14/08/331811408.db2.gz	JFQHDHZSWCUVCO-FOIQADDNSA-N	1	0	290.410	4.677	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1	ZINC000481659662	331811287	/nfs/dbraw/zinc/81/12/87/331811287.db2.gz	JFQHDHZSWCUVCO-QRWLVFNGSA-N	1	0	290.410	4.677	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)C1(c2ccccc2)CCCC1	ZINC000481822858	331816658	/nfs/dbraw/zinc/81/66/58/331816658.db2.gz	IFYXMBRYIYEOPF-QGZVFWFLSA-N	1	0	298.474	4.806	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+]C1CC(F)(c2cccc(Cl)c2)C1	ZINC000482074541	331823248	/nfs/dbraw/zinc/82/32/48/331823248.db2.gz	WNNMTEMMKLBTPW-UWTIGNOOSA-N	1	0	281.802	4.612	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1	ZINC000484627654	331903115	/nfs/dbraw/zinc/90/31/15/331903115.db2.gz	XPBZJBJVLBLCOU-MSOLQXFVSA-N	1	0	284.447	4.632	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1	ZINC000484627663	331902960	/nfs/dbraw/zinc/90/29/60/331902960.db2.gz	XPBZJBJVLBLCOU-ROUUACIJSA-N	1	0	284.447	4.632	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F	ZINC000485694431	331920895	/nfs/dbraw/zinc/92/08/95/331920895.db2.gz	MBZLZEVOAVDEDR-GZBFAFLISA-N	1	0	285.353	4.523	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccccc1)C(F)(F)F	ZINC000485694432	331920957	/nfs/dbraw/zinc/92/09/57/331920957.db2.gz	MBZLZEVOAVDEDR-KCQAQPDRSA-N	1	0	285.353	4.523	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F	ZINC000485694433	331920997	/nfs/dbraw/zinc/92/09/97/331920997.db2.gz	MBZLZEVOAVDEDR-YDHLFZDLSA-N	1	0	285.353	4.523	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1	ZINC000485704414	331919917	/nfs/dbraw/zinc/91/99/17/331919917.db2.gz	KKZWDZMYOTUZQZ-RWMBFGLXSA-N	1	0	274.433	4.548	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1	ZINC000485704416	331920053	/nfs/dbraw/zinc/92/00/53/331920053.db2.gz	KKZWDZMYOTUZQZ-YNEHKIRRSA-N	1	0	274.433	4.548	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc2ncsc2c1	ZINC000485713662	331921699	/nfs/dbraw/zinc/92/16/99/331921699.db2.gz	QOSBILBWIUCPTL-GXTWGEPZSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccc2ncsc2c1	ZINC000485713663	331921698	/nfs/dbraw/zinc/92/16/98/331921698.db2.gz	QOSBILBWIUCPTL-JSGCOSHPSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccc2ncsc2c1	ZINC000485713665	331921705	/nfs/dbraw/zinc/92/17/05/331921705.db2.gz	QOSBILBWIUCPTL-TZMCWYRMSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F	ZINC000485718329	331922028	/nfs/dbraw/zinc/92/20/28/331922028.db2.gz	KWNUCVWHLALYEH-CABCVRRESA-N	1	0	285.353	4.667	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1	ZINC000485839885	331924810	/nfs/dbraw/zinc/92/48/10/331924810.db2.gz	JGILUWDKHVFDRT-CHWSQXEVSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1	ZINC000485839888	331924700	/nfs/dbraw/zinc/92/47/00/331924700.db2.gz	JGILUWDKHVFDRT-OLZOCXBDSA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1	ZINC000485839894	331924702	/nfs/dbraw/zinc/92/47/02/331924702.db2.gz	JGILUWDKHVFDRT-STQMWFEESA-N	1	0	274.433	4.692	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H](c1ccccc1)C(F)(F)F)C1CC1	ZINC000486089442	331931209	/nfs/dbraw/zinc/93/12/09/331931209.db2.gz	LRAHGSOXIMIXKF-HZPDHXFCSA-N	1	0	297.364	4.667	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]CC1(Cc2ccccc2)CCCC1	ZINC000486404657	331936710	/nfs/dbraw/zinc/93/67/10/331936710.db2.gz	KGLZCMYZBSXUCY-UHFFFAOYSA-N	1	0	298.474	4.709	20	30		CJEDRO
CCC(CC)(CC)[NH2+]Cc1ccccc1C(C)(C)C#N	ZINC000487356858	331967459	/nfs/dbraw/zinc/96/74/59/331967459.db2.gz	AJTXULBJFXOYQT-UHFFFAOYSA-N	1	0	272.436	4.546	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](C)c1ccc2ncsc2c1	ZINC000488067677	331989169	/nfs/dbraw/zinc/98/91/69/331989169.db2.gz	QLVRQINULYWFBQ-CYBMUJFWSA-N	1	0	274.433	4.693	20	30		CJEDRO
C=CCCCCC[NH2+][C@@H](C)c1ccc2ncsc2c1	ZINC000488067678	331989151	/nfs/dbraw/zinc/98/91/51/331989151.db2.gz	QLVRQINULYWFBQ-ZDUSSCGKSA-N	1	0	274.433	4.693	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Cl)cc1	ZINC000488120950	331990850	/nfs/dbraw/zinc/99/08/50/331990850.db2.gz	DJQYAFSYXJUWBO-GOSISDBHSA-N	1	0	298.817	4.761	20	30		CJEDRO
Cc1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2)ccc1C#N	ZINC000488130194	331991434	/nfs/dbraw/zinc/99/14/34/331991434.db2.gz	VUTYJTJGMGEJAN-UHFFFAOYSA-N	1	0	298.817	4.545	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccccc1	ZINC000488158095	331992489	/nfs/dbraw/zinc/99/24/89/331992489.db2.gz	NSVSCFVONLLEAM-HXUWFJFHSA-N	1	0	290.410	4.664	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](c1ccccc1)c1ccccn1	ZINC000488162010	331992397	/nfs/dbraw/zinc/99/23/97/331992397.db2.gz	MECRASWENWXVIK-LJQANCHMSA-N	1	0	280.415	4.507	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)C	ZINC000488164035	331992728	/nfs/dbraw/zinc/99/27/28/331992728.db2.gz	QFERBAMLKWUOMY-FQEVSTJZSA-N	1	0	292.426	4.662	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc(Cl)c1	ZINC000488173654	331992990	/nfs/dbraw/zinc/99/29/90/331992990.db2.gz	YUKKOSXRGXHOTR-SFHVURJKSA-N	1	0	298.817	4.761	20	30		CJEDRO
Cc1cc(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)ccc1C#N	ZINC000488213114	331994022	/nfs/dbraw/zinc/99/40/22/331994022.db2.gz	ROFGFONHZHKDEU-IBGZPJMESA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cc(C[NH2+][C@H](c2ccccc2)C(C)(C)C)ccc1C#N	ZINC000488213115	331994177	/nfs/dbraw/zinc/99/41/77/331994177.db2.gz	ROFGFONHZHKDEU-LJQANCHMSA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cc(C[NH2+][C@@H](CC(C)C)c2cccs2)ccc1C#N	ZINC000488299748	331998312	/nfs/dbraw/zinc/99/83/12/331998312.db2.gz	SRQUGFLHKJBNQC-KRWDZBQOSA-N	1	0	298.455	4.805	20	30		CJEDRO
Cc1cc(C[NH2+][C@H](CC(C)C)c2cccs2)ccc1C#N	ZINC000488299749	331998286	/nfs/dbraw/zinc/99/82/86/331998286.db2.gz	SRQUGFLHKJBNQC-QGZVFWFLSA-N	1	0	298.455	4.805	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1	ZINC000488301815	331998306	/nfs/dbraw/zinc/99/83/06/331998306.db2.gz	UFTBUNHFJWRHQM-OAHLLOKOSA-N	1	0	284.403	4.739	20	30		CJEDRO
Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1cccc(C#N)c1	ZINC000488692414	332021667	/nfs/dbraw/zinc/02/16/67/332021667.db2.gz	BOMKHZVLOWKKLH-FQEVSTJZSA-N	1	0	292.426	4.696	20	30		CJEDRO
Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1cccc(C#N)c1	ZINC000488692415	332021765	/nfs/dbraw/zinc/02/17/65/332021765.db2.gz	BOMKHZVLOWKKLH-HXUWFJFHSA-N	1	0	292.426	4.696	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000489563032	332059332	/nfs/dbraw/zinc/05/93/32/332059332.db2.gz	BASJUTQCXAWFFH-GOSISDBHSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000489563035	332059458	/nfs/dbraw/zinc/05/94/58/332059458.db2.gz	BASJUTQCXAWFFH-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccc(F)cc1C#N	ZINC000489646519	332062961	/nfs/dbraw/zinc/06/29/61/332062961.db2.gz	HEGCCBNGLYQOOM-IBGZPJMESA-N	1	0	296.389	4.671	20	30		CJEDRO
CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccc(F)cc1C#N	ZINC000489646520	332062921	/nfs/dbraw/zinc/06/29/21/332062921.db2.gz	HEGCCBNGLYQOOM-LJQANCHMSA-N	1	0	296.389	4.671	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000489890071	332072006	/nfs/dbraw/zinc/07/20/06/332072006.db2.gz	YOAQJAYPLZJINU-CVEARBPZSA-N	1	0	296.414	4.879	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000489890072	332072108	/nfs/dbraw/zinc/07/21/08/332072108.db2.gz	YOAQJAYPLZJINU-HOTGVXAUSA-N	1	0	296.414	4.879	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000489890074	332072039	/nfs/dbraw/zinc/07/20/39/332072039.db2.gz	YOAQJAYPLZJINU-HZPDHXFCSA-N	1	0	296.414	4.879	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1	ZINC000489890076	332072159	/nfs/dbraw/zinc/07/21/59/332072159.db2.gz	YOAQJAYPLZJINU-JKSUJKDBSA-N	1	0	296.414	4.879	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)c2ccccc21	ZINC000489910301	332072713	/nfs/dbraw/zinc/07/27/13/332072713.db2.gz	WKSZZMXLSFQKDZ-KKUMJFAQSA-N	1	0	296.389	4.712	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c2ccccc21	ZINC000489910303	332072799	/nfs/dbraw/zinc/07/27/99/332072799.db2.gz	WKSZZMXLSFQKDZ-RRFJBIMHSA-N	1	0	296.389	4.712	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c2ccccc21	ZINC000489910305	332072775	/nfs/dbraw/zinc/07/27/75/332072775.db2.gz	WKSZZMXLSFQKDZ-SOUVJXGZSA-N	1	0	296.389	4.712	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c2ccccc21	ZINC000489910307	332072745	/nfs/dbraw/zinc/07/27/45/332072745.db2.gz	WKSZZMXLSFQKDZ-ZNMIVQPWSA-N	1	0	296.389	4.712	20	30		CJEDRO
Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C2)cc1	ZINC000490051005	332078601	/nfs/dbraw/zinc/07/86/01/332078601.db2.gz	AXFUDVDDWVUAFM-IEBWSBKVSA-N	1	0	298.474	4.893	20	30		CJEDRO
C=CCCCCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1	ZINC000490078779	332080341	/nfs/dbraw/zinc/08/03/41/332080341.db2.gz	WNELDFAAOJNHQU-JTQLQIEISA-N	1	0	292.370	4.559	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1	ZINC000490078780	332080469	/nfs/dbraw/zinc/08/04/69/332080469.db2.gz	WNELDFAAOJNHQU-SNVBAGLBSA-N	1	0	292.370	4.559	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccccc1F	ZINC000492153334	332384826	/nfs/dbraw/zinc/38/48/26/332384826.db2.gz	AADVWBFFBJJSSH-GOSISDBHSA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccccc1F	ZINC000492153335	332384840	/nfs/dbraw/zinc/38/48/40/332384840.db2.gz	AADVWBFFBJJSSH-SFHVURJKSA-N	1	0	299.389	4.631	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2sc(Cl)cc21	ZINC000492176242	332386027	/nfs/dbraw/zinc/38/60/27/332386027.db2.gz	RETOFDREYHLVSK-GFCCVEGCSA-N	1	0	296.867	4.698	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCCc2sc(Cl)cc21	ZINC000492176243	332385995	/nfs/dbraw/zinc/38/59/95/332385995.db2.gz	RETOFDREYHLVSK-LBPRGKRZSA-N	1	0	296.867	4.698	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1	ZINC000494352167	332470913	/nfs/dbraw/zinc/47/09/13/332470913.db2.gz	UFYQVGNDZAFSLM-VHSXEESVSA-N	1	0	292.370	4.557	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000494493410	332475769	/nfs/dbraw/zinc/47/57/69/332475769.db2.gz	JVDYLJGIZRLRPV-JQFCIGGWSA-N	1	0	293.838	4.504	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1	ZINC000494493412	332475801	/nfs/dbraw/zinc/47/58/01/332475801.db2.gz	JVDYLJGIZRLRPV-RRQGHBQHSA-N	1	0	293.838	4.504	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1	ZINC000494493414	332475796	/nfs/dbraw/zinc/47/57/96/332475796.db2.gz	JVDYLJGIZRLRPV-XKQJLSEDSA-N	1	0	293.838	4.504	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]CC1(CC#N)CC1)C1CCCC1	ZINC000494963671	332495273	/nfs/dbraw/zinc/49/52/73/332495273.db2.gz	ZHCBTYVTGAXMLF-GOSISDBHSA-N	1	0	282.431	4.510	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCC1	ZINC000494963672	332495370	/nfs/dbraw/zinc/49/53/70/332495370.db2.gz	ZHCBTYVTGAXMLF-SFHVURJKSA-N	1	0	282.431	4.510	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccncc1	ZINC000494987078	332497934	/nfs/dbraw/zinc/49/79/34/332497934.db2.gz	HVBJMMXTJJQEPZ-XLIONFOSSA-N	1	0	294.442	4.896	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccncc1	ZINC000494987079	332497858	/nfs/dbraw/zinc/49/78/58/332497858.db2.gz	HVBJMMXTJJQEPZ-YLJYHZDGSA-N	1	0	294.442	4.896	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1	ZINC000495016030	332500070	/nfs/dbraw/zinc/50/00/70/332500070.db2.gz	GRSFVDMWBWPHGY-HIFRSBDPSA-N	1	0	271.395	4.536	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C1CC1	ZINC000495016031	332499988	/nfs/dbraw/zinc/49/99/88/332499988.db2.gz	GRSFVDMWBWPHGY-UKRRQHHQSA-N	1	0	271.395	4.536	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C1CC1	ZINC000495016032	332500046	/nfs/dbraw/zinc/50/00/46/332500046.db2.gz	GRSFVDMWBWPHGY-ZFWWWQNUSA-N	1	0	271.395	4.536	20	30		CJEDRO
CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(F)cc1C#N	ZINC000497412676	262156680	/nfs/dbraw/zinc/15/66/80/262156680.db2.gz	SUPYHJXVFHRPGZ-IBGZPJMESA-N	1	0	296.389	4.526	20	30		CJEDRO
CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1ccc(F)cc1C#N	ZINC000497412677	262156573	/nfs/dbraw/zinc/15/65/73/262156573.db2.gz	SUPYHJXVFHRPGZ-LJQANCHMSA-N	1	0	296.389	4.526	20	30		CJEDRO
CC[N@H+](Cc1ccccc1Cl)[C@H](C)c1ccc(C#N)cc1	ZINC000497593448	262179164	/nfs/dbraw/zinc/17/91/64/262179164.db2.gz	CFEZCWFYKGGFAE-CQSZACIVSA-N	1	0	298.817	4.795	20	30		CJEDRO
CC[N@H+](Cc1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000497594105	262179003	/nfs/dbraw/zinc/17/90/03/262179003.db2.gz	PYBCGAJWUVGQRB-AWEZNQCLSA-N	1	0	298.817	4.795	20	30		CJEDRO
CC[N@H+](CCCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1	ZINC000497617171	262182186	/nfs/dbraw/zinc/18/21/86/262182186.db2.gz	BMCOHVLPDWFKPN-KRWDZBQOSA-N	1	0	292.426	4.574	20	30		CJEDRO
CC[N@H+](CCCc1ccccc1)[C@H](C)c1ccc(C#N)cc1	ZINC000497617174	262182046	/nfs/dbraw/zinc/18/20/46/262182046.db2.gz	BMCOHVLPDWFKPN-QGZVFWFLSA-N	1	0	292.426	4.574	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]CCCCC#N)c1cc2ccccc2o1	ZINC000497826678	262214882	/nfs/dbraw/zinc/21/48/82/262214882.db2.gz	WRRSBMSYWPLDPJ-KRWDZBQOSA-N	1	0	284.403	4.803	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]CCCCC#N)c1cc2ccccc2o1	ZINC000497826679	262214677	/nfs/dbraw/zinc/21/46/77/262214677.db2.gz	WRRSBMSYWPLDPJ-QGZVFWFLSA-N	1	0	284.403	4.803	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]CC(C)(C)C1CCCCC1	ZINC000498380659	331670587	/nfs/dbraw/zinc/67/05/87/331670587.db2.gz	LZMTXXXCLWKQHR-UHFFFAOYSA-N	1	0	264.457	4.512	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000498727138	332571913	/nfs/dbraw/zinc/57/19/13/332571913.db2.gz	HODPVRIUUBAIDO-FXAWDEMLSA-N	1	0	294.442	4.896	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000498727139	332571919	/nfs/dbraw/zinc/57/19/19/332571919.db2.gz	HODPVRIUUBAIDO-PXNSSMCTSA-N	1	0	294.442	4.896	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000498727140	262142811	/nfs/dbraw/zinc/14/28/11/262142811.db2.gz	HODPVRIUUBAIDO-XLIONFOSSA-N	1	0	294.442	4.896	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000498727141	262143026	/nfs/dbraw/zinc/14/30/26/262143026.db2.gz	HODPVRIUUBAIDO-YLJYHZDGSA-N	1	0	294.442	4.896	20	30		CJEDRO
C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000500000883	332597379	/nfs/dbraw/zinc/59/73/79/332597379.db2.gz	PKCODDJYNPGSAY-OTBHMBEGSA-N	1	0	296.458	4.559	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1	ZINC000500475029	332610544	/nfs/dbraw/zinc/61/05/44/332610544.db2.gz	FUKLXGVWKYGXSC-KRWDZBQOSA-N	1	0	295.426	4.719	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1	ZINC000500567974	262158370	/nfs/dbraw/zinc/15/83/70/262158370.db2.gz	SQCDSCVFQZSWLR-QGZVFWFLSA-N	1	0	295.426	4.719	20	30		CJEDRO
CSc1ccccc1[C@@H](C)[NH2+]CCCCC(C)(C)C#N	ZINC000501547843	332635448	/nfs/dbraw/zinc/63/54/48/332635448.db2.gz	VKBNUFMNECZWBP-CQSZACIVSA-N	1	0	290.476	4.779	20	30		CJEDRO
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)CC1(C#N)CC1	ZINC000501550578	262186927	/nfs/dbraw/zinc/18/69/27/262186927.db2.gz	QOXSGJQHGWKMLF-INIZCTEOSA-N	1	0	290.410	4.650	20	30		CJEDRO
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)CC1(C#N)CC1	ZINC000501550580	262187057	/nfs/dbraw/zinc/18/70/57/262187057.db2.gz	QOXSGJQHGWKMLF-MRXNPFEDSA-N	1	0	290.410	4.650	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccc(F)c(F)c1	ZINC000502428726	332658865	/nfs/dbraw/zinc/65/88/65/332658865.db2.gz	FUQJVLFHSCWDDK-HZPDHXFCSA-N	1	0	277.358	4.504	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccc(F)c(F)c1	ZINC000502428728	332658859	/nfs/dbraw/zinc/65/88/59/332658859.db2.gz	FUQJVLFHSCWDDK-JKSUJKDBSA-N	1	0	277.358	4.504	20	30		CJEDRO
CC(C)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(F)cc1	ZINC000502483760	332663179	/nfs/dbraw/zinc/66/31/79/332663179.db2.gz	KEOJVLWIIOKPGC-KRWDZBQOSA-N	1	0	290.426	4.832	20	30		CJEDRO
CC[C@@H]1C[C@@]1([NH2+]CCCC(C)(C)C#N)c1cccc(C)c1	ZINC000502541232	332665226	/nfs/dbraw/zinc/66/52/26/332665226.db2.gz	JJJYWLPWPGIYTR-APWZRJJASA-N	1	0	284.447	4.540	20	30		CJEDRO
Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000504928384	332725449	/nfs/dbraw/zinc/72/54/49/332725449.db2.gz	AGXUBVBPDBTRKL-VCBZYWHSSA-N	1	0	290.410	4.766	20	30		CJEDRO
Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000504928385	332725378	/nfs/dbraw/zinc/72/53/78/332725378.db2.gz	AGXUBVBPDBTRKL-ZRGWGRIASA-N	1	0	290.410	4.766	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1	ZINC000505480577	332741889	/nfs/dbraw/zinc/74/18/89/332741889.db2.gz	OOFJWTHUUVFMIF-GOSISDBHSA-N	1	0	287.353	4.762	20	30		CJEDRO
CC[C@@H](C)[N@H+](Cc1ccccc1)CC(C)(C)CCC#N	ZINC000506098835	263299274	/nfs/dbraw/zinc/29/92/74/263299274.db2.gz	KDPNJPVABHBHCU-MRXNPFEDSA-N	1	0	272.436	4.617	20	30		CJEDRO
CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000507614702	332816977	/nfs/dbraw/zinc/81/69/77/332816977.db2.gz	DOOWVHPPYFSJSE-IHJVYAAUSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000507614703	332816872	/nfs/dbraw/zinc/81/68/72/332816872.db2.gz	DOOWVHPPYFSJSE-OTBHMBEGSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC[C@H]1CCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000507614704	332816768	/nfs/dbraw/zinc/81/67/68/332816768.db2.gz	DOOWVHPPYFSJSE-OXHPOLQJSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000507614705	332816789	/nfs/dbraw/zinc/81/67/89/332816789.db2.gz	DOOWVHPPYFSJSE-VHBXLISGSA-N	1	0	296.458	4.559	20	30		CJEDRO
C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1	ZINC000507618392	332816802	/nfs/dbraw/zinc/81/68/02/332816802.db2.gz	BZRKYBHLXUQZDE-IHJVYAAUSA-N	1	0	296.458	4.559	20	30		CJEDRO
C[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1	ZINC000507618394	332816973	/nfs/dbraw/zinc/81/69/73/332816973.db2.gz	BZRKYBHLXUQZDE-OXHPOLQJSA-N	1	0	296.458	4.559	20	30		CJEDRO
C[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1	ZINC000507618395	332816763	/nfs/dbraw/zinc/81/67/63/332816763.db2.gz	BZRKYBHLXUQZDE-VHBXLISGSA-N	1	0	296.458	4.559	20	30		CJEDRO
C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1	ZINC000507645761	332818142	/nfs/dbraw/zinc/81/81/42/332818142.db2.gz	STPIFFFWUJNISY-PBPGXSGUSA-N	1	0	296.458	4.559	20	30		CJEDRO
CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C	ZINC000507657736	332818352	/nfs/dbraw/zinc/81/83/52/332818352.db2.gz	DHEZASLWXMXJFG-QPIRBTGLSA-N	1	0	298.474	4.805	20	30		CJEDRO
C[C@H]([NH2+]CCCCF)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000509005821	332855251	/nfs/dbraw/zinc/85/52/51/332855251.db2.gz	FPAMZLSNQLTSAR-HNNXBMFYSA-N	1	0	296.389	4.626	20	30		CJEDRO
C[C@@H]([NH2+]CCCCF)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000509005823	332855249	/nfs/dbraw/zinc/85/52/49/332855249.db2.gz	FPAMZLSNQLTSAR-OAHLLOKOSA-N	1	0	296.389	4.626	20	30		CJEDRO
C[C@H](F)CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000509006900	332855374	/nfs/dbraw/zinc/85/53/74/332855374.db2.gz	NIMKKSBQRYETRA-GJZGRUSLSA-N	1	0	296.389	4.624	20	30		CJEDRO
C[C@@H](F)CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000509006901	332855373	/nfs/dbraw/zinc/85/53/73/332855373.db2.gz	NIMKKSBQRYETRA-HUUCEWRRSA-N	1	0	296.389	4.624	20	30		CJEDRO
C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000509006902	332855234	/nfs/dbraw/zinc/85/52/34/332855234.db2.gz	NIMKKSBQRYETRA-LSDHHAIUSA-N	1	0	296.389	4.624	20	30		CJEDRO
C=C(C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C	ZINC000509007000	332855381	/nfs/dbraw/zinc/85/53/81/332855381.db2.gz	ODDPXZJCBLQLJO-ZDUSSCGKSA-N	1	0	286.444	4.735	20	30		CJEDRO
C=C(C)CC[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1	ZINC000509009244	332855717	/nfs/dbraw/zinc/85/57/17/332855717.db2.gz	ZJQZPAMOGBKDHO-ZDUSSCGKSA-N	1	0	286.444	4.735	20	30		CJEDRO
C=C(C)CC[NH2+][C@H](CC(F)(F)F)c1ccccc1C	ZINC000510794935	332917346	/nfs/dbraw/zinc/91/73/46/332917346.db2.gz	IAHMUTODAWIJND-CQSZACIVSA-N	1	0	271.326	4.544	20	30		CJEDRO
C=CCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1	ZINC000511800708	332943036	/nfs/dbraw/zinc/94/30/36/332943036.db2.gz	WWCJVYLJZBIDSF-GJZGRUSLSA-N	1	0	283.337	4.507	20	30		CJEDRO
C=CCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000511800709	332943020	/nfs/dbraw/zinc/94/30/20/332943020.db2.gz	WWCJVYLJZBIDSF-HUUCEWRRSA-N	1	0	283.337	4.507	20	30		CJEDRO
CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1	ZINC000512409021	332967346	/nfs/dbraw/zinc/96/73/46/332967346.db2.gz	LBRSZXWLPBLXHI-GOSISDBHSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1	ZINC000512409031	332967213	/nfs/dbraw/zinc/96/72/13/332967213.db2.gz	LBRSZXWLPBLXHI-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC[C@H](CC#N)[NH2+]Cc1sc2c(cccc2Cl)c1C	ZINC000512548031	332973020	/nfs/dbraw/zinc/97/30/20/332973020.db2.gz	WPEQNBXDYKTVTD-LLVKDONJSA-N	1	0	292.835	4.645	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)c1ccc(C#N)cc1F	ZINC000512612639	332975810	/nfs/dbraw/zinc/97/58/10/332975810.db2.gz	PRNYEGZHOWCJSF-ILXRZTDVSA-N	1	0	296.389	4.540	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](C)c1ccccc1	ZINC000512612641	332975980	/nfs/dbraw/zinc/97/59/80/332975980.db2.gz	PRNYEGZHOWCJSF-KFWWJZLASA-N	1	0	296.389	4.540	20	30		CJEDRO
C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F	ZINC000512612642	332975800	/nfs/dbraw/zinc/97/58/00/332975800.db2.gz	PRNYEGZHOWCJSF-KKUMJFAQSA-N	1	0	296.389	4.540	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512620252	332976080	/nfs/dbraw/zinc/97/60/80/332976080.db2.gz	PKNZITSGXVUAAY-CQSZACIVSA-N	1	0	296.389	4.672	20	30		CJEDRO
C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512625546	332976471	/nfs/dbraw/zinc/97/64/71/332976471.db2.gz	OVPAVBUMTGSEJD-CABCVRRESA-N	1	0	296.389	4.542	20	30		CJEDRO
C[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512625547	332976465	/nfs/dbraw/zinc/97/64/65/332976465.db2.gz	OVPAVBUMTGSEJD-GJZGRUSLSA-N	1	0	296.389	4.542	20	30		CJEDRO
C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512625549	332976414	/nfs/dbraw/zinc/97/64/14/332976414.db2.gz	OVPAVBUMTGSEJD-HUUCEWRRSA-N	1	0	296.389	4.542	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1C	ZINC000512629223	332976779	/nfs/dbraw/zinc/97/67/79/332976779.db2.gz	HZXPBVMASHMSLU-LSDHHAIUSA-N	1	0	296.389	4.726	20	30		CJEDRO
CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512629692	332976789	/nfs/dbraw/zinc/97/67/89/332976789.db2.gz	JZXFLQLNYQZKMR-KBPBESRZSA-N	1	0	296.389	4.672	20	30		CJEDRO
CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1	ZINC000512629694	332976679	/nfs/dbraw/zinc/97/66/79/332976679.db2.gz	JZXFLQLNYQZKMR-KGLIPLIRSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512630035	332976723	/nfs/dbraw/zinc/97/67/23/332976723.db2.gz	LFXBHSIOZMMJHH-GOEBONIOSA-N	1	0	296.389	4.542	20	30		CJEDRO
CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512630038	332976697	/nfs/dbraw/zinc/97/66/97/332976697.db2.gz	LFXBHSIOZMMJHH-ZBFHGGJFSA-N	1	0	296.389	4.542	20	30		CJEDRO
CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1	ZINC000512633646	332977041	/nfs/dbraw/zinc/97/70/41/332977041.db2.gz	AJVDQBYZEMDSHQ-AUUYWEPGSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(C)cc1	ZINC000512633649	332976972	/nfs/dbraw/zinc/97/69/72/332976972.db2.gz	AJVDQBYZEMDSHQ-LIRRHRJNSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512649188	332977785	/nfs/dbraw/zinc/97/77/85/332977785.db2.gz	QTYOKKALOUFUQS-IFXJQAMLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512649189	332977937	/nfs/dbraw/zinc/97/79/37/332977937.db2.gz	QTYOKKALOUFUQS-KUHUBIRLSA-N	1	0	296.389	4.745	20	30		CJEDRO
CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512649191	332977795	/nfs/dbraw/zinc/97/77/95/332977795.db2.gz	QTYOKKALOUFUQS-LIRRHRJNSA-N	1	0	296.389	4.745	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1C	ZINC000512659392	332978365	/nfs/dbraw/zinc/97/83/65/332978365.db2.gz	GLYWSARMPSDJPP-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1C	ZINC000512659395	332978422	/nfs/dbraw/zinc/97/84/22/332978422.db2.gz	GLYWSARMPSDJPP-LSDHHAIUSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)c1	ZINC000512664574	332978837	/nfs/dbraw/zinc/97/88/37/332978837.db2.gz	AGLQXXBDGQJCLA-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)c1	ZINC000512664575	332978941	/nfs/dbraw/zinc/97/89/41/332978941.db2.gz	AGLQXXBDGQJCLA-GJZGRUSLSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)c1	ZINC000512664576	332978944	/nfs/dbraw/zinc/97/89/44/332978944.db2.gz	AGLQXXBDGQJCLA-HUUCEWRRSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)c1	ZINC000512664577	332978823	/nfs/dbraw/zinc/97/88/23/332978823.db2.gz	AGLQXXBDGQJCLA-LSDHHAIUSA-N	1	0	296.389	4.726	20	30		CJEDRO
CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccs1	ZINC000512665910	332978947	/nfs/dbraw/zinc/97/89/47/332978947.db2.gz	IAPDDGKCDLJFKL-NHYWBVRUSA-N	1	0	288.391	4.561	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1	ZINC000512666597	332979025	/nfs/dbraw/zinc/97/90/25/332979025.db2.gz	LIGDCVMOGPCYFB-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c1	ZINC000512666599	332979160	/nfs/dbraw/zinc/97/91/60/332979160.db2.gz	LIGDCVMOGPCYFB-HUUCEWRRSA-N	1	0	296.389	4.726	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512666980	332979190	/nfs/dbraw/zinc/97/91/90/332979190.db2.gz	NDVFXOQILRYHGJ-AUUYWEPGSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512666981	332979061	/nfs/dbraw/zinc/97/90/61/332979061.db2.gz	NDVFXOQILRYHGJ-IFXJQAMLSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512666982	332979028	/nfs/dbraw/zinc/97/90/28/332979028.db2.gz	NDVFXOQILRYHGJ-KUHUBIRLSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1	ZINC000512666983	332979179	/nfs/dbraw/zinc/97/91/79/332979179.db2.gz	NDVFXOQILRYHGJ-LIRRHRJNSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCCCc1oc2ccccc2c1C[NH+]1CCC(C#N)CC1	ZINC000512709893	332980991	/nfs/dbraw/zinc/98/09/91/332980991.db2.gz	ILQYZSFRJTZXQP-UHFFFAOYSA-N	1	0	296.414	4.511	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1	ZINC000513240622	333010622	/nfs/dbraw/zinc/01/06/22/333010622.db2.gz	CGLFAAICRZWOQI-RYGJVYDSSA-N	1	0	290.410	4.545	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1	ZINC000513240623	333010504	/nfs/dbraw/zinc/01/05/04/333010504.db2.gz	CGLFAAICRZWOQI-UIAACRFSSA-N	1	0	290.410	4.545	20	30		CJEDRO
C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCCC(C)(C)C#N)C1	ZINC000513240655	333010466	/nfs/dbraw/zinc/01/04/66/333010466.db2.gz	CSCXDWLDHXOZGL-AEFFLSMTSA-N	1	0	284.447	4.790	20	30		CJEDRO
C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCCC(C)(C)C#N)C1	ZINC000513240656	333010719	/nfs/dbraw/zinc/01/07/19/333010719.db2.gz	CSCXDWLDHXOZGL-FUHWJXTLSA-N	1	0	284.447	4.790	20	30		CJEDRO
C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCCC(C)(C)C#N)C1	ZINC000513240657	333010576	/nfs/dbraw/zinc/01/05/76/333010576.db2.gz	CSCXDWLDHXOZGL-SJLPKXTDSA-N	1	0	284.447	4.790	20	30		CJEDRO
C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCCC(C)(C)C#N)C1	ZINC000513240658	333010686	/nfs/dbraw/zinc/01/06/86/333010686.db2.gz	CSCXDWLDHXOZGL-WMZOPIPTSA-N	1	0	284.447	4.790	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000513242790	333010585	/nfs/dbraw/zinc/01/05/85/333010585.db2.gz	XYMQIEYWKCOQNE-RYGJVYDSSA-N	1	0	290.410	4.545	20	30		CJEDRO
C[C@@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)c1ccc(C#N)cc1	ZINC000513242791	333010533	/nfs/dbraw/zinc/01/05/33/333010533.db2.gz	XYMQIEYWKCOQNE-UIAACRFSSA-N	1	0	290.410	4.545	20	30		CJEDRO
C=C1CC[NH+](Cc2ccc(-c3ccccc3OC)cc2)CC1	ZINC000513444581	333019656	/nfs/dbraw/zinc/01/96/56/333019656.db2.gz	VQNADXMJAHGMNO-UHFFFAOYSA-N	1	0	293.410	4.514	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccco1	ZINC000513652681	333029292	/nfs/dbraw/zinc/02/92/92/333029292.db2.gz	BGFRSNCGBJPVQR-HNNXBMFYSA-N	1	0	275.779	4.730	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccco1	ZINC000513652682	333029351	/nfs/dbraw/zinc/02/93/51/333029351.db2.gz	BGFRSNCGBJPVQR-OAHLLOKOSA-N	1	0	275.779	4.730	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccco1	ZINC000513656432	333029517	/nfs/dbraw/zinc/02/95/17/333029517.db2.gz	SSOPKAMCGUQIPE-GFCCVEGCSA-N	1	0	281.808	4.792	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccco1	ZINC000513656433	333029643	/nfs/dbraw/zinc/02/96/43/333029643.db2.gz	SSOPKAMCGUQIPE-LBPRGKRZSA-N	1	0	281.808	4.792	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCc1cccc(OC)c1)c1ccco1	ZINC000513662665	333030255	/nfs/dbraw/zinc/03/02/55/333030255.db2.gz	YNLNPRHODBLMQO-GOSISDBHSA-N	1	0	299.414	4.518	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCCc1cccc(OC)c1)c1ccco1	ZINC000513662666	333030247	/nfs/dbraw/zinc/03/02/47/333030247.db2.gz	YNLNPRHODBLMQO-SFHVURJKSA-N	1	0	299.414	4.518	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccco1	ZINC000513662744	333030232	/nfs/dbraw/zinc/03/02/32/333030232.db2.gz	ZGLZBQWGQOSPMP-GOSISDBHSA-N	1	0	294.398	4.601	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccco1	ZINC000513662745	333030275	/nfs/dbraw/zinc/03/02/75/333030275.db2.gz	ZGLZBQWGQOSPMP-SFHVURJKSA-N	1	0	294.398	4.601	20	30		CJEDRO
C=CCC[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccco1	ZINC000513673742	333031544	/nfs/dbraw/zinc/03/15/44/333031544.db2.gz	WNUHEXQHTQSGJK-ABHNRTSZSA-N	1	0	281.399	4.823	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccco1	ZINC000513673743	333031407	/nfs/dbraw/zinc/03/14/07/333031407.db2.gz	WNUHEXQHTQSGJK-DAWZGUTISA-N	1	0	281.399	4.823	20	30		CJEDRO
N#CCCN(Cc1cc(-c2ccccc2)cs1)CC1CC1	ZINC000513742554	333037014	/nfs/dbraw/zinc/03/70/14/333037014.db2.gz	YRAALEFMVSJJKY-UHFFFAOYSA-N	1	0	296.439	4.541	20	30		CJEDRO
C=CC[N@H+](Cc1cccs1)C[C@@H]1CCCC(F)(F)C1	ZINC000513961195	333055405	/nfs/dbraw/zinc/05/54/05/333055405.db2.gz	YCGXGWNWQVAKCU-CYBMUJFWSA-N	1	0	285.403	4.562	20	30		CJEDRO
C=CC[N@H+](Cc1cccs1)C[C@H]1CCCC(F)(F)C1	ZINC000513961196	333055302	/nfs/dbraw/zinc/05/53/02/333055302.db2.gz	YCGXGWNWQVAKCU-ZDUSSCGKSA-N	1	0	285.403	4.562	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccco1	ZINC000514082761	261199642	/nfs/dbraw/zinc/19/96/42/261199642.db2.gz	ILJKWBOQJDFMLF-INIZCTEOSA-N	1	0	273.351	4.524	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)c1ccco1	ZINC000514082765	261199678	/nfs/dbraw/zinc/19/96/78/261199678.db2.gz	ILJKWBOQJDFMLF-MRXNPFEDSA-N	1	0	273.351	4.524	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCCOC1CCCCC1)c1ccco1	ZINC000514083011	261200419	/nfs/dbraw/zinc/20/04/19/261200419.db2.gz	JDVOOAZFIOQSBF-KRWDZBQOSA-N	1	0	291.435	4.616	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCOC1CCCCC1)c1ccco1	ZINC000514083013	261200270	/nfs/dbraw/zinc/20/02/70/261200270.db2.gz	JDVOOAZFIOQSBF-QGZVFWFLSA-N	1	0	291.435	4.616	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)c1ccco1	ZINC000514093867	328301747	/nfs/dbraw/zinc/30/17/47/328301747.db2.gz	KUURPBFDMYYGNW-GOSISDBHSA-N	1	0	299.414	4.864	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)c1ccco1	ZINC000514093868	328301787	/nfs/dbraw/zinc/30/17/87/328301787.db2.gz	KUURPBFDMYYGNW-SFHVURJKSA-N	1	0	299.414	4.864	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(OCCC)cc1)c1ccco1	ZINC000514101040	328830138	/nfs/dbraw/zinc/83/01/38/328830138.db2.gz	YWJXVTBHFJPSLO-SFHVURJKSA-N	1	0	299.414	4.866	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(C)c(F)c1)c1ccco1	ZINC000516498783	330493860	/nfs/dbraw/zinc/49/38/60/330493860.db2.gz	OWCXDKZTDBVGAS-INIZCTEOSA-N	1	0	273.351	4.524	20	30		CJEDRO
N#CCCCC[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1	ZINC000516688561	330493919	/nfs/dbraw/zinc/49/39/19/330493919.db2.gz	JAWQKVZCXDMPMS-HNNXBMFYSA-N	1	0	297.229	4.728	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(C)s1	ZINC000516897011	333085798	/nfs/dbraw/zinc/08/57/98/333085798.db2.gz	WZJOLQJABGPRSA-KPZWWZAWSA-N	1	0	296.439	4.575	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(C)s1	ZINC000516897012	333085746	/nfs/dbraw/zinc/08/57/46/333085746.db2.gz	WZJOLQJABGPRSA-KZULUSFZSA-N	1	0	296.439	4.575	20	30		CJEDRO
Cc1cc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c(C)s1	ZINC000516897013	333085775	/nfs/dbraw/zinc/08/57/75/333085775.db2.gz	WZJOLQJABGPRSA-SGTLLEGYSA-N	1	0	296.439	4.575	20	30		CJEDRO
Cc1cc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c(C)s1	ZINC000516897014	333085839	/nfs/dbraw/zinc/08/58/39/333085839.db2.gz	WZJOLQJABGPRSA-XIKOKIGWSA-N	1	0	296.439	4.575	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cc1	ZINC000517429655	333099295	/nfs/dbraw/zinc/09/92/95/333099295.db2.gz	ZVLJNPUQAYUFAG-FOIQADDNSA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)cc1	ZINC000517429657	333099252	/nfs/dbraw/zinc/09/92/52/333099252.db2.gz	ZVLJNPUQAYUFAG-MGPUTAFESA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)cc1	ZINC000517429659	333099304	/nfs/dbraw/zinc/09/93/04/333099304.db2.gz	ZVLJNPUQAYUFAG-QRWLVFNGSA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)cc1	ZINC000517429660	333099248	/nfs/dbraw/zinc/09/92/48/333099248.db2.gz	ZVLJNPUQAYUFAG-YWZLYKJASA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@@H](CCC)c2ccccc2)c1	ZINC000517539966	333101542	/nfs/dbraw/zinc/10/15/42/333101542.db2.gz	RFILRANLCOPZAW-FQEVSTJZSA-N	1	0	295.426	4.882	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@H](CCC)c2ccccc2)c1	ZINC000517539967	333101559	/nfs/dbraw/zinc/10/15/59/333101559.db2.gz	RFILRANLCOPZAW-HXUWFJFHSA-N	1	0	295.426	4.882	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccco1	ZINC000517722982	333106712	/nfs/dbraw/zinc/10/67/12/333106712.db2.gz	LYJWNHOKTXWCNG-GOSISDBHSA-N	1	0	294.398	4.601	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccco1	ZINC000517722983	333106746	/nfs/dbraw/zinc/10/67/46/333106746.db2.gz	LYJWNHOKTXWCNG-SFHVURJKSA-N	1	0	294.398	4.601	20	30		CJEDRO
N#CCCCC[N@@H+](Cc1ccccc1Cl)C1CCCC1	ZINC000517908001	260315695	/nfs/dbraw/zinc/31/56/95/260315695.db2.gz	OKVBTZYXBZMOPW-UHFFFAOYSA-N	1	0	290.838	4.778	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1cccc(C#N)c1	ZINC000517947112	327142616	/nfs/dbraw/zinc/14/26/16/327142616.db2.gz	BLPNPQUAVXHKTQ-CABCVRRESA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1cccc(C#N)c1	ZINC000517947115	327142668	/nfs/dbraw/zinc/14/26/68/327142668.db2.gz	BLPNPQUAVXHKTQ-GJZGRUSLSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C2CC2)c1)c1cccc(C#N)c1	ZINC000517947116	327142595	/nfs/dbraw/zinc/14/25/95/327142595.db2.gz	BLPNPQUAVXHKTQ-HUUCEWRRSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(C2CC2)c1	ZINC000517947117	327142589	/nfs/dbraw/zinc/14/25/89/327142589.db2.gz	BLPNPQUAVXHKTQ-LSDHHAIUSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2ccccc2)o1	ZINC000517982351	260330439	/nfs/dbraw/zinc/33/04/39/260330439.db2.gz	DUGJRPBAJHCXKY-HNNXBMFYSA-N	1	0	296.414	4.927	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(-c2ccccc2)o1	ZINC000517982352	260330781	/nfs/dbraw/zinc/33/07/81/260330781.db2.gz	DUGJRPBAJHCXKY-OAHLLOKOSA-N	1	0	296.414	4.927	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)C(C)C)c1	ZINC000520954798	333108508	/nfs/dbraw/zinc/10/85/08/333108508.db2.gz	MZBZTXFTRHHCMV-FQEVSTJZSA-N	1	0	295.426	4.738	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C(C)C)c1	ZINC000520954799	333108362	/nfs/dbraw/zinc/10/83/62/333108362.db2.gz	MZBZTXFTRHHCMV-HXUWFJFHSA-N	1	0	295.426	4.738	20	30		CJEDRO
C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000521196668	333114543	/nfs/dbraw/zinc/11/45/43/333114543.db2.gz	SGDZZGOCLZLPKZ-JTQLQIEISA-N	1	0	258.192	4.562	20	30		CJEDRO
C=C(C)C[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1	ZINC000521196669	333114788	/nfs/dbraw/zinc/11/47/88/333114788.db2.gz	SGDZZGOCLZLPKZ-SNVBAGLBSA-N	1	0	258.192	4.562	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cc(C#N)ccc1F	ZINC000521197431	333114497	/nfs/dbraw/zinc/11/44/97/333114497.db2.gz	LBIOKRCQWGUTAX-IBGZPJMESA-N	1	0	296.389	4.671	20	30		CJEDRO
CC[C@H](c1ccccc1)[N@H+](CC)Cc1cc(C#N)ccc1F	ZINC000521197432	333114657	/nfs/dbraw/zinc/11/46/57/333114657.db2.gz	LBIOKRCQWGUTAX-LJQANCHMSA-N	1	0	296.389	4.671	20	30		CJEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1C	ZINC000521655276	333181629	/nfs/dbraw/zinc/18/16/29/333181629.db2.gz	WOZMOROPCIPZBC-KRWDZBQOSA-N	1	0	292.426	4.840	20	30		CJEDRO
CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1C	ZINC000521655277	333181667	/nfs/dbraw/zinc/18/16/67/333181667.db2.gz	WOZMOROPCIPZBC-QGZVFWFLSA-N	1	0	292.426	4.840	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccccc1C#N	ZINC000521823033	333190673	/nfs/dbraw/zinc/19/06/73/333190673.db2.gz	JCOTXLBDGMCJGU-IBGZPJMESA-N	1	0	278.399	4.531	20	30		CJEDRO
CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccccc1C#N	ZINC000521823034	333190592	/nfs/dbraw/zinc/19/05/92/333190592.db2.gz	JCOTXLBDGMCJGU-LJQANCHMSA-N	1	0	278.399	4.531	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccc(C#N)cc1	ZINC000521823366	333190687	/nfs/dbraw/zinc/19/06/87/333190687.db2.gz	RHSYWMGIRRLKQX-IBGZPJMESA-N	1	0	278.399	4.531	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CC)Cc1ccc(C#N)cc1F	ZINC000521823466	333190690	/nfs/dbraw/zinc/19/06/90/333190690.db2.gz	XKZGIBCIQXBECE-IBGZPJMESA-N	1	0	296.389	4.671	20	30		CJEDRO
CC[C@H](c1ccccc1)[N@H+](CC)Cc1ccc(C#N)cc1F	ZINC000521823467	333190527	/nfs/dbraw/zinc/19/05/27/333190527.db2.gz	XKZGIBCIQXBECE-LJQANCHMSA-N	1	0	296.389	4.671	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1CCCCC1	ZINC000521848975	333193240	/nfs/dbraw/zinc/19/32/40/333193240.db2.gz	HHRHYLFLSBZJJR-CABCVRRESA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]([C@H](C)[NH2+]CC(C)(C)CCC#N)C1CCCCC1	ZINC000521848976	333193150	/nfs/dbraw/zinc/19/31/50/333193150.db2.gz	HHRHYLFLSBZJJR-GJZGRUSLSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1CCCCC1	ZINC000521848977	333193313	/nfs/dbraw/zinc/19/33/13/333193313.db2.gz	HHRHYLFLSBZJJR-HUUCEWRRSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)C1CCCCC1	ZINC000521848978	333193202	/nfs/dbraw/zinc/19/32/02/333193202.db2.gz	HHRHYLFLSBZJJR-LSDHHAIUSA-N	1	0	264.457	4.511	20	30		CJEDRO
C=CC1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1	ZINC000522083265	333239221	/nfs/dbraw/zinc/23/92/21/333239221.db2.gz	JNIDSUVLUPFNRO-GFCCVEGCSA-N	1	0	283.337	4.664	20	30		CJEDRO
C=CC1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1	ZINC000522083266	333239340	/nfs/dbraw/zinc/23/93/40/333239340.db2.gz	JNIDSUVLUPFNRO-LBPRGKRZSA-N	1	0	283.337	4.664	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1	ZINC000522628793	333293212	/nfs/dbraw/zinc/29/32/12/333293212.db2.gz	DVSGWMKPJKZZPM-GFCCVEGCSA-N	1	0	275.392	4.608	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)s1	ZINC000522628794	333293144	/nfs/dbraw/zinc/29/31/44/333293144.db2.gz	DVSGWMKPJKZZPM-LBPRGKRZSA-N	1	0	275.392	4.608	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1	ZINC000522629614	333293433	/nfs/dbraw/zinc/29/34/33/333293433.db2.gz	XQRZKJPXYLIBMO-GFCCVEGCSA-N	1	0	275.392	4.608	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2cccc(F)c2)s1	ZINC000522629615	333293502	/nfs/dbraw/zinc/29/35/02/333293502.db2.gz	XQRZKJPXYLIBMO-LBPRGKRZSA-N	1	0	275.392	4.608	20	30		CJEDRO
Cc1cccc([C@H]2CCCCC[N@@H+]2CCCCC#N)c1	ZINC000522786831	262343547	/nfs/dbraw/zinc/34/35/47/262343547.db2.gz	RPQHNIKCVACKLD-GOSISDBHSA-N	1	0	270.420	4.606	20	30		CJEDRO
Cc1cccc([C@@H]2CCCCC[N@@H+]2CCCCC#N)c1	ZINC000522786832	262343471	/nfs/dbraw/zinc/34/34/71/262343471.db2.gz	RPQHNIKCVACKLD-SFHVURJKSA-N	1	0	270.420	4.606	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cc1	ZINC000523391947	333325588	/nfs/dbraw/zinc/32/55/88/333325588.db2.gz	UNGKSQUUSPKTJI-GOSISDBHSA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cc1	ZINC000523391948	333325625	/nfs/dbraw/zinc/32/56/25/333325625.db2.gz	UNGKSQUUSPKTJI-SFHVURJKSA-N	1	0	299.389	4.631	20	30		CJEDRO
Cc1cccc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000523439891	333327166	/nfs/dbraw/zinc/32/71/66/333327166.db2.gz	RMDUXCFNMWIGPG-UHFFFAOYSA-N	1	0	292.426	4.586	20	30		CJEDRO
C=CCCCCC[N@@H+](C)Cc1ncc(-c2ccccc2)o1	ZINC000523551939	333332831	/nfs/dbraw/zinc/33/28/31/333332831.db2.gz	JHVIEVBJDAVZGK-UHFFFAOYSA-N	1	0	284.403	4.520	20	30		CJEDRO
C=CCCCCC[N@@H+](C)Cc1csc(-c2ccoc2)n1	ZINC000523552125	333332892	/nfs/dbraw/zinc/33/28/92/333332892.db2.gz	OIEULUCOHBZGIA-UHFFFAOYSA-N	1	0	290.432	4.581	20	30		CJEDRO
C=CCCCCC[N@@H+](C)Cc1coc(-c2cccs2)n1	ZINC000523556875	333333086	/nfs/dbraw/zinc/33/30/86/333333086.db2.gz	RBHKJYRSVNIZHQ-UHFFFAOYSA-N	1	0	290.432	4.581	20	30		CJEDRO
N#Cc1cccc(C[NH2+]C2(c3ccccc3)CCCCC2)c1	ZINC000523674668	333337181	/nfs/dbraw/zinc/33/71/81/333337181.db2.gz	ISIHYGHXTGBZRL-UHFFFAOYSA-N	1	0	290.410	4.507	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@@H](C)c2cccc(C)c2C)c1	ZINC000523736704	333342795	/nfs/dbraw/zinc/34/27/95/333342795.db2.gz	SEOJUTIKKIJJOA-KRWDZBQOSA-N	1	0	295.426	4.719	20	30		CJEDRO
C=CCOc1cccc(C[NH2+][C@H](C)c2cccc(C)c2C)c1	ZINC000523736705	333342826	/nfs/dbraw/zinc/34/28/26/333342826.db2.gz	SEOJUTIKKIJJOA-QGZVFWFLSA-N	1	0	295.426	4.719	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1	ZINC000523934965	333349501	/nfs/dbraw/zinc/34/95/01/333349501.db2.gz	KCYJQKMZESTGEO-GFCCVEGCSA-N	1	0	275.779	4.654	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1	ZINC000523934966	333349650	/nfs/dbraw/zinc/34/96/50/333349650.db2.gz	KCYJQKMZESTGEO-LBPRGKRZSA-N	1	0	275.779	4.654	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1	ZINC000523938109	333349790	/nfs/dbraw/zinc/34/97/90/333349790.db2.gz	XLSULDGTGFCLHI-GFCCVEGCSA-N	1	0	275.392	4.608	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)s1	ZINC000523938110	333349819	/nfs/dbraw/zinc/34/98/19/333349819.db2.gz	XLSULDGTGFCLHI-LBPRGKRZSA-N	1	0	275.392	4.608	20	30		CJEDRO
C=CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000523975614	333350524	/nfs/dbraw/zinc/35/05/24/333350524.db2.gz	HFHDGSFTMSQMHT-GFCCVEGCSA-N	1	0	275.779	4.654	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000523975615	333350560	/nfs/dbraw/zinc/35/05/60/333350560.db2.gz	HFHDGSFTMSQMHT-LBPRGKRZSA-N	1	0	275.779	4.654	20	30		CJEDRO
Cc1ccccc1C[N@H+](CCCCC#N)Cc1ccccc1	ZINC000524370826	333360841	/nfs/dbraw/zinc/36/08/41/333360841.db2.gz	DBJDJXKNLWASRB-UHFFFAOYSA-N	1	0	292.426	4.691	20	30		CJEDRO
CC(C)[N@H+](CCCCC#N)Cc1cccc(C(F)(F)F)c1	ZINC000524371147	333360850	/nfs/dbraw/zinc/36/08/50/333360850.db2.gz	VKZVDQIHJUHADF-UHFFFAOYSA-N	1	0	298.352	4.610	20	30		CJEDRO
N#CCCCC[N@H+]1CC=C(c2cccc3ccccc32)CC1	ZINC000524371379	333360728	/nfs/dbraw/zinc/36/07/28/333360728.db2.gz	DUQOZPJIQMPVCP-UHFFFAOYSA-N	1	0	290.410	4.623	20	30		CJEDRO
C=C1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1	ZINC000524564173	333366711	/nfs/dbraw/zinc/36/67/11/333366711.db2.gz	GNSSIZZWFCJFRB-HNNXBMFYSA-N	1	0	251.373	4.553	20	30		CJEDRO
C=C1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1	ZINC000524564174	333366679	/nfs/dbraw/zinc/36/66/79/333366679.db2.gz	GNSSIZZWFCJFRB-OAHLLOKOSA-N	1	0	251.373	4.553	20	30		CJEDRO
C=CCOc1cccc(C[NH2+]Cc2ccc(C(C)C)cc2)c1	ZINC000524680672	333371104	/nfs/dbraw/zinc/37/11/04/333371104.db2.gz	OTPYKOYGEYIYQY-UHFFFAOYSA-N	1	0	295.426	4.665	20	30		CJEDRO
C=CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1	ZINC000524812023	333389312	/nfs/dbraw/zinc/38/93/12/333389312.db2.gz	XOLRIEBQBRBTMN-JTQLQIEISA-N	1	0	258.192	4.562	20	30		CJEDRO
C=CCC[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1	ZINC000524812033	333389479	/nfs/dbraw/zinc/38/94/79/333389479.db2.gz	XOLRIEBQBRBTMN-SNVBAGLBSA-N	1	0	258.192	4.562	20	30		CJEDRO
C=CCCC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1	ZINC000524842801	333389943	/nfs/dbraw/zinc/38/99/43/333389943.db2.gz	VLKNQUKMZIHVDI-FQEVSTJZSA-N	1	0	295.426	4.649	20	30		CJEDRO
C=CCCC[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1	ZINC000524842802	333389956	/nfs/dbraw/zinc/38/99/56/333389956.db2.gz	VLKNQUKMZIHVDI-HXUWFJFHSA-N	1	0	295.426	4.649	20	30		CJEDRO
C=C(C)C[N@@H+](C)[C@H](C)c1ccc(-c2ccccc2OC)cc1	ZINC000525639572	260762941	/nfs/dbraw/zinc/76/29/41/260762941.db2.gz	PGMKFDOCWKVRKM-MRXNPFEDSA-N	1	0	295.426	4.931	20	30		CJEDRO
C=CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000527078885	328824604	/nfs/dbraw/zinc/82/46/04/328824604.db2.gz	ORYBFDFCOHTMPF-DZGCQCFKSA-N	1	0	283.337	4.507	20	30		CJEDRO
C=CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000527078891	328824462	/nfs/dbraw/zinc/82/44/62/328824462.db2.gz	ORYBFDFCOHTMPF-HIFRSBDPSA-N	1	0	283.337	4.507	20	30		CJEDRO
C=CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000527078892	328824611	/nfs/dbraw/zinc/82/46/11/328824611.db2.gz	ORYBFDFCOHTMPF-UKRRQHHQSA-N	1	0	283.337	4.507	20	30		CJEDRO
C=CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F	ZINC000527078894	328824557	/nfs/dbraw/zinc/82/45/57/328824557.db2.gz	ORYBFDFCOHTMPF-ZFWWWQNUSA-N	1	0	283.337	4.507	20	30		CJEDRO
C=CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000527328680	328653392	/nfs/dbraw/zinc/65/33/92/328653392.db2.gz	MQAXGQDUQRTQER-HUUCEWRRSA-N	1	0	283.337	4.507	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1	ZINC000527714464	330276283	/nfs/dbraw/zinc/27/62/83/330276283.db2.gz	ZMMQHHJXMDEFOZ-FFGOWVMKSA-N	1	0	296.458	4.775	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1	ZINC000527714473	330276319	/nfs/dbraw/zinc/27/63/19/330276319.db2.gz	ZMMQHHJXMDEFOZ-LEAZDLGRSA-N	1	0	296.458	4.775	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1	ZINC000527714474	330276250	/nfs/dbraw/zinc/27/62/50/330276250.db2.gz	ZMMQHHJXMDEFOZ-NBYUQASBSA-N	1	0	296.458	4.775	20	30		CJEDRO
N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1	ZINC000527714475	330276314	/nfs/dbraw/zinc/27/63/14/330276314.db2.gz	ZMMQHHJXMDEFOZ-RNQOJCNYSA-N	1	0	296.458	4.775	20	30		CJEDRO
CC(C)c1cccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000527854116	330288524	/nfs/dbraw/zinc/28/85/24/330288524.db2.gz	WMHRXXACGKISDN-HNNXBMFYSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000527854117	330288609	/nfs/dbraw/zinc/28/86/09/330288609.db2.gz	WMHRXXACGKISDN-OAHLLOKOSA-N	1	0	278.399	4.532	20	30		CJEDRO
CC(C)c1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1	ZINC000527904448	330289617	/nfs/dbraw/zinc/28/96/17/330289617.db2.gz	CATGXCMSOUJIQQ-AWEZNQCLSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1	ZINC000527904451	330289622	/nfs/dbraw/zinc/28/96/22/330289622.db2.gz	CATGXCMSOUJIQQ-CQSZACIVSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC(C)c1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000527905055	330289834	/nfs/dbraw/zinc/28/98/34/330289834.db2.gz	RASJSIISRRYPOD-MPGHIAIKSA-N	1	0	270.420	4.543	20	30		CJEDRO
CC(C)c1cccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1	ZINC000527905059	330289751	/nfs/dbraw/zinc/28/97/51/330289751.db2.gz	RASJSIISRRYPOD-VKJFTORMSA-N	1	0	270.420	4.543	20	30		CJEDRO
CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c1	ZINC000527909506	330290754	/nfs/dbraw/zinc/29/07/54/330290754.db2.gz	KNTBYCYPITTWAK-CYBMUJFWSA-N	1	0	284.428	4.594	20	30		CJEDRO
CC(C)c1cccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c1	ZINC000527909512	330290699	/nfs/dbraw/zinc/29/06/99/330290699.db2.gz	KNTBYCYPITTWAK-ZDUSSCGKSA-N	1	0	284.428	4.594	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(C)ccc1C	ZINC000527909796	330290721	/nfs/dbraw/zinc/29/07/21/330290721.db2.gz	LHAMNSFOJDTRSG-FQEVSTJZSA-N	1	0	292.426	4.610	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc(C)ccc1C	ZINC000527909808	330290655	/nfs/dbraw/zinc/29/06/55/330290655.db2.gz	LHAMNSFOJDTRSG-HXUWFJFHSA-N	1	0	292.426	4.610	20	30		CJEDRO
CC(C)c1cccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1	ZINC000527910908	330290761	/nfs/dbraw/zinc/29/07/61/330290761.db2.gz	OXIFITXBTMOPFE-INIZCTEOSA-N	1	0	292.426	4.727	20	30		CJEDRO
CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)c1	ZINC000527910933	330290750	/nfs/dbraw/zinc/29/07/50/330290750.db2.gz	OXIFITXBTMOPFE-MRXNPFEDSA-N	1	0	292.426	4.727	20	30		CJEDRO
Cc1cccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)c1	ZINC000527913868	330294978	/nfs/dbraw/zinc/29/49/78/330294978.db2.gz	XOZIEDJUNMQOTM-HXUWFJFHSA-N	1	0	292.426	4.548	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccco1	ZINC000530399797	333546218	/nfs/dbraw/zinc/54/62/18/333546218.db2.gz	AHTIOLIOXBUSIK-MSOLQXFVSA-N	1	0	281.399	4.954	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccco1	ZINC000530399799	333546235	/nfs/dbraw/zinc/54/62/35/333546235.db2.gz	AHTIOLIOXBUSIK-ROUUACIJSA-N	1	0	281.399	4.954	20	30		CJEDRO
N#Cc1csc(C[NH2+]C2(c3ccccc3)CCCCC2)c1	ZINC000531117911	327380064	/nfs/dbraw/zinc/38/00/64/327380064.db2.gz	YRXKINSGHOHKHE-UHFFFAOYSA-N	1	0	296.439	4.569	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccs1	ZINC000531356099	327901154	/nfs/dbraw/zinc/90/11/54/327901154.db2.gz	HYHFJIXLXKMXOP-AWEZNQCLSA-N	1	0	290.457	4.558	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccs1	ZINC000531356101	327901212	/nfs/dbraw/zinc/90/12/12/327901212.db2.gz	HYHFJIXLXKMXOP-CQSZACIVSA-N	1	0	290.457	4.558	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)s1	ZINC000531356434	327901202	/nfs/dbraw/zinc/90/12/02/327901202.db2.gz	MCUBHLNBWKJNTO-LLVKDONJSA-N	1	0	296.848	4.576	20	30		CJEDRO
CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)s1	ZINC000531356435	327901184	/nfs/dbraw/zinc/90/11/84/327901184.db2.gz	MCUBHLNBWKJNTO-NSHDSACASA-N	1	0	296.848	4.576	20	30		CJEDRO
C=CCC[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C	ZINC000531580929	328016441	/nfs/dbraw/zinc/01/64/41/328016441.db2.gz	BNRVIHRBIDYTRB-AWEZNQCLSA-N	1	0	286.444	4.687	20	30		CJEDRO
C=CCC[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C	ZINC000531580933	328016341	/nfs/dbraw/zinc/01/63/41/328016341.db2.gz	BNRVIHRBIDYTRB-CQSZACIVSA-N	1	0	286.444	4.687	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1	ZINC000531689935	328024411	/nfs/dbraw/zinc/02/44/11/328024411.db2.gz	VJOJGWSAUAFCPW-DAYGRLMNSA-N	1	0	269.388	4.559	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1	ZINC000531689936	328024432	/nfs/dbraw/zinc/02/44/32/328024432.db2.gz	VJOJGWSAUAFCPW-HDMKZQKVSA-N	1	0	269.388	4.559	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1	ZINC000531689937	328024380	/nfs/dbraw/zinc/02/43/80/328024380.db2.gz	VJOJGWSAUAFCPW-MPGHIAIKSA-N	1	0	269.388	4.559	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1	ZINC000531689938	328024436	/nfs/dbraw/zinc/02/44/36/328024436.db2.gz	VJOJGWSAUAFCPW-RLFYNMQTSA-N	1	0	269.388	4.559	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cccc2[nH]ccc21)c1ccccc1	ZINC000532496935	328782388	/nfs/dbraw/zinc/78/23/88/328782388.db2.gz	CIAHGQYASZJONO-IBGZPJMESA-N	1	0	290.410	4.965	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000532520575	328786280	/nfs/dbraw/zinc/78/62/80/328786280.db2.gz	BNVFNYCSICUWIR-IGQOVBAYSA-N	1	0	277.374	4.545	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1	ZINC000532520576	328786282	/nfs/dbraw/zinc/78/62/82/328786282.db2.gz	BNVFNYCSICUWIR-XDQVBPFNSA-N	1	0	277.374	4.545	20	30		CJEDRO
CC(C)(C#N)CCC[NH2+][C@H](c1ccccc1)C1CCCC1	ZINC000532714112	328806792	/nfs/dbraw/zinc/80/67/92/328806792.db2.gz	KYZVOLAWBTUDGD-GOSISDBHSA-N	1	0	284.447	4.837	20	30		CJEDRO
CCC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1	ZINC000532783119	328810374	/nfs/dbraw/zinc/81/03/74/328810374.db2.gz	GWRUWJIMAZJALP-UHFFFAOYSA-N	1	0	292.426	4.536	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CC1	ZINC000533039971	330325970	/nfs/dbraw/zinc/32/59/70/330325970.db2.gz	OIYKGXOQPIGQDK-KRWDZBQOSA-N	1	0	298.455	4.645	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CC1	ZINC000533039979	330325998	/nfs/dbraw/zinc/32/59/98/330325998.db2.gz	OIYKGXOQPIGQDK-QGZVFWFLSA-N	1	0	298.455	4.645	20	30		CJEDRO
N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1CCCC1	ZINC000533063861	330325445	/nfs/dbraw/zinc/32/54/45/330325445.db2.gz	ZTLKYCUMVPRRSJ-FQEVSTJZSA-N	1	0	290.410	4.579	20	30		CJEDRO
N#Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1CCCC1	ZINC000533063862	330325460	/nfs/dbraw/zinc/32/54/60/330325460.db2.gz	ZTLKYCUMVPRRSJ-HXUWFJFHSA-N	1	0	290.410	4.579	20	30		CJEDRO
CC[N@H+](CCCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1	ZINC000533064144	330325465	/nfs/dbraw/zinc/32/54/65/330325465.db2.gz	ZUEPSPXHVHGWCV-IBGZPJMESA-N	1	0	296.389	4.541	20	30		CJEDRO
CC[N@H+](CCCC#N)[C@H](c1ccccc1)c1ccc(F)cc1	ZINC000533064145	330325434	/nfs/dbraw/zinc/32/54/34/330325434.db2.gz	ZUEPSPXHVHGWCV-LJQANCHMSA-N	1	0	296.389	4.541	20	30		CJEDRO
CC[C@H](c1ccccc1)[N@H+](CCCCC#N)CC(C)C	ZINC000533064545	330325541	/nfs/dbraw/zinc/32/55/41/330325541.db2.gz	GDFBHIIKGLTMRX-GOSISDBHSA-N	1	0	272.436	4.790	20	30		CJEDRO
CC[C@@H](c1ccccc1)[N@H+](CCCCC#N)CC(C)C	ZINC000533064546	330325455	/nfs/dbraw/zinc/32/54/55/330325455.db2.gz	GDFBHIIKGLTMRX-SFHVURJKSA-N	1	0	272.436	4.790	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(CC)o1)c1ccccc1	ZINC000533253286	330354740	/nfs/dbraw/zinc/35/47/40/330354740.db2.gz	YDZUKZZBRVAQDF-GOSISDBHSA-N	1	0	269.388	4.639	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(CC)o1)c1ccccc1	ZINC000533253287	330354786	/nfs/dbraw/zinc/35/47/86/330354786.db2.gz	YDZUKZZBRVAQDF-SFHVURJKSA-N	1	0	269.388	4.639	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1	ZINC000533253798	330354768	/nfs/dbraw/zinc/35/47/68/330354768.db2.gz	HOIRSSOOBJUEIU-IBGZPJMESA-N	1	0	290.410	4.965	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1	ZINC000533253799	330354798	/nfs/dbraw/zinc/35/47/98/330354798.db2.gz	HOIRSSOOBJUEIU-LJQANCHMSA-N	1	0	290.410	4.965	20	30		CJEDRO
C[C@H](c1ccccc1Cl)[N@H+](CCC(C)(C)C#N)C1CC1	ZINC000534206199	328040658	/nfs/dbraw/zinc/04/06/58/328040658.db2.gz	IMJJGMISJPLFLR-CYBMUJFWSA-N	1	0	290.838	4.805	20	30		CJEDRO
C[C@@H](c1ccccc1Cl)[N@H+](CCC(C)(C)C#N)C1CC1	ZINC000534206200	328040531	/nfs/dbraw/zinc/04/05/31/328040531.db2.gz	IMJJGMISJPLFLR-ZDUSSCGKSA-N	1	0	290.838	4.805	20	30		CJEDRO
CC[N@H+](CCC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1	ZINC000534215793	328039613	/nfs/dbraw/zinc/03/96/13/328039613.db2.gz	RETIELLDBZBGFD-AWEZNQCLSA-N	1	0	284.403	4.756	20	30		CJEDRO
CC[N@H+](CCC(C)(C)C#N)[C@H](C)c1cc2ccccc2o1	ZINC000534215794	328039554	/nfs/dbraw/zinc/03/95/54/328039554.db2.gz	RETIELLDBZBGFD-CQSZACIVSA-N	1	0	284.403	4.756	20	30		CJEDRO
CC(C)(C#N)CC[NH+]1Cc2ccccc2-c2ccccc2C1	ZINC000534943785	328371288	/nfs/dbraw/zinc/37/12/88/328371288.db2.gz	LQMFTMYEHHWLAC-UHFFFAOYSA-N	1	0	290.410	4.609	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21	ZINC000534951480	328372980	/nfs/dbraw/zinc/37/29/80/328372980.db2.gz	FMWCNXNGSUKHFA-IBGZPJMESA-N	1	0	292.426	4.917	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21	ZINC000534951482	328373086	/nfs/dbraw/zinc/37/30/86/328373086.db2.gz	FMWCNXNGSUKHFA-LJQANCHMSA-N	1	0	292.426	4.917	20	30		CJEDRO
C[N@H+](CCC(C)(C)C#N)C1c2ccccc2-c2ccccc21	ZINC000534953094	328373127	/nfs/dbraw/zinc/37/31/27/328373127.db2.gz	JNNUWVVNRZCMPM-UHFFFAOYSA-N	1	0	290.410	4.628	20	30		CJEDRO
C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1C(C)(C)C	ZINC000535086479	328387259	/nfs/dbraw/zinc/38/72/59/328387259.db2.gz	BHBPFADURGBXCI-HNNXBMFYSA-N	1	0	292.426	4.707	20	30		CJEDRO
C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccc1C(C)(C)C	ZINC000535086493	328387275	/nfs/dbraw/zinc/38/72/75/328387275.db2.gz	BHBPFADURGBXCI-OAHLLOKOSA-N	1	0	292.426	4.707	20	30		CJEDRO
C=CCCC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C	ZINC000535212390	328394910	/nfs/dbraw/zinc/39/49/10/328394910.db2.gz	PWCCDBNKCZLUJN-CYBMUJFWSA-N	1	0	266.454	4.534	20	30		CJEDRO
C=CCCC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C	ZINC000535212414	328394719	/nfs/dbraw/zinc/39/47/19/328394719.db2.gz	PWCCDBNKCZLUJN-ZDUSSCGKSA-N	1	0	266.454	4.534	20	30		CJEDRO
C=CCCCCC[N@@H+](C)Cc1ncc(-c2ccccc2C)o1	ZINC000535259571	328398755	/nfs/dbraw/zinc/39/87/55/328398755.db2.gz	CTMLQCWKYADEPI-UHFFFAOYSA-N	1	0	298.430	4.828	20	30		CJEDRO
C[N@H+](CCC(C)(C)C#N)Cc1ccccc1-c1ccccc1	ZINC000536457931	327239912	/nfs/dbraw/zinc/23/99/12/327239912.db2.gz	CPRPIBDYEGJPOG-UHFFFAOYSA-N	1	0	292.426	4.725	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CC1	ZINC000536829838	330228639	/nfs/dbraw/zinc/22/86/39/330228639.db2.gz	ABZGUTHCMWAUCH-IBGZPJMESA-N	1	0	292.426	4.583	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)C1CC1	ZINC000536829869	330228807	/nfs/dbraw/zinc/22/88/07/330228807.db2.gz	ABZGUTHCMWAUCH-LJQANCHMSA-N	1	0	292.426	4.583	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1	ZINC000536838201	330232731	/nfs/dbraw/zinc/23/27/31/330232731.db2.gz	HTNZYLAFWIPUGH-PMACEKPBSA-N	1	0	277.411	4.971	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccccc1	ZINC000536838221	330232534	/nfs/dbraw/zinc/23/25/34/330232534.db2.gz	HTNZYLAFWIPUGH-UXHICEINSA-N	1	0	277.411	4.971	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1	ZINC000536838224	330232690	/nfs/dbraw/zinc/23/26/90/330232690.db2.gz	HTNZYLAFWIPUGH-VQTJNVASSA-N	1	0	277.411	4.971	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccccc1	ZINC000536838228	330232862	/nfs/dbraw/zinc/23/28/62/330232862.db2.gz	HTNZYLAFWIPUGH-WOJBJXKFSA-N	1	0	277.411	4.971	20	30		CJEDRO
CC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1	ZINC000536855511	330252152	/nfs/dbraw/zinc/25/21/52/330252152.db2.gz	AIVKLYJHYXGZLB-UHFFFAOYSA-N	1	0	296.458	4.560	20	30		CJEDRO
C[C@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000536856557	330252334	/nfs/dbraw/zinc/25/23/34/330252334.db2.gz	HCUGIDRIYIBUHF-CAAWEGIDSA-N	1	0	296.458	4.559	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F	ZINC000536858214	330252645	/nfs/dbraw/zinc/25/26/45/330252645.db2.gz	PHJWDOUGEXBWGM-NXEZZACHSA-N	1	0	289.753	4.557	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F	ZINC000536858261	330252549	/nfs/dbraw/zinc/25/25/49/330252549.db2.gz	PHJWDOUGEXBWGM-UWVGGRQHSA-N	1	0	289.753	4.557	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F	ZINC000536858262	330252641	/nfs/dbraw/zinc/25/26/41/330252641.db2.gz	PHJWDOUGEXBWGM-VHSXEESVSA-N	1	0	289.753	4.557	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F	ZINC000536858263	330252470	/nfs/dbraw/zinc/25/24/70/330252470.db2.gz	PHJWDOUGEXBWGM-ZJUUUORDSA-N	1	0	289.753	4.557	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H]1CCSc2ccccc21)C1CC1	ZINC000536862645	330253288	/nfs/dbraw/zinc/25/32/88/330253288.db2.gz	JWHXYRHVMXNHSJ-CVEARBPZSA-N	1	0	273.445	4.558	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1CCSc2ccccc21)C1CC1	ZINC000536862654	330253333	/nfs/dbraw/zinc/25/33/33/330253333.db2.gz	JWHXYRHVMXNHSJ-HOTGVXAUSA-N	1	0	273.445	4.558	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C1CC1	ZINC000536862655	330253255	/nfs/dbraw/zinc/25/32/55/330253255.db2.gz	JWHXYRHVMXNHSJ-HZPDHXFCSA-N	1	0	273.445	4.558	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H]1CCSc2ccccc21)C1CC1	ZINC000536862656	330253308	/nfs/dbraw/zinc/25/33/08/330253308.db2.gz	JWHXYRHVMXNHSJ-JKSUJKDBSA-N	1	0	273.445	4.558	20	30		CJEDRO
C=C(CC)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C	ZINC000536934271	330367019	/nfs/dbraw/zinc/36/70/19/330367019.db2.gz	GMSRMHYQDWSTBU-CYBMUJFWSA-N	1	0	266.454	4.534	20	30		CJEDRO
C=C(CC)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C	ZINC000536934272	330366936	/nfs/dbraw/zinc/36/69/36/330366936.db2.gz	GMSRMHYQDWSTBU-ZDUSSCGKSA-N	1	0	266.454	4.534	20	30		CJEDRO
N#CCCCC[NH2+][C@@H](CC1CCCCC1)c1ccccc1	ZINC000537053948	330395218	/nfs/dbraw/zinc/39/52/18/330395218.db2.gz	JRRJDXVPOUPINR-IBGZPJMESA-N	1	0	284.447	4.982	20	30		CJEDRO
N#CCCCC[NH2+][C@H](CC1CCCCC1)c1ccccc1	ZINC000537053949	330395291	/nfs/dbraw/zinc/39/52/91/330395291.db2.gz	JRRJDXVPOUPINR-LJQANCHMSA-N	1	0	284.447	4.982	20	30		CJEDRO
N#CCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000537063130	330396071	/nfs/dbraw/zinc/39/60/71/330396071.db2.gz	OILLVRFHWDBEMP-GOSISDBHSA-N	1	0	298.817	4.517	20	30		CJEDRO
N#CCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000537063131	330396075	/nfs/dbraw/zinc/39/60/75/330396075.db2.gz	OILLVRFHWDBEMP-SFHVURJKSA-N	1	0	298.817	4.517	20	30		CJEDRO
CCC(CC)[C@H]([NH2+]CCCCC#N)c1cccs1	ZINC000537077337	330395993	/nfs/dbraw/zinc/39/59/93/330395993.db2.gz	NTPMEMTZZKMWNW-HNNXBMFYSA-N	1	0	264.438	4.509	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]CCCCC#N)c1cccs1	ZINC000537077338	330395974	/nfs/dbraw/zinc/39/59/74/330395974.db2.gz	NTPMEMTZZKMWNW-OAHLLOKOSA-N	1	0	264.438	4.509	20	30		CJEDRO
C=C(CC)C[NH2+][C@H](C)c1ccc(-c2csc(C)n2)cc1	ZINC000537078505	330398180	/nfs/dbraw/zinc/39/81/80/330398180.db2.gz	JENPMESAHAXOPH-CYBMUJFWSA-N	1	0	286.444	4.735	20	30		CJEDRO
C=C(CC)C[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1	ZINC000537078506	330398153	/nfs/dbraw/zinc/39/81/53/330398153.db2.gz	JENPMESAHAXOPH-ZDUSSCGKSA-N	1	0	286.444	4.735	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+]Cc1ccccc1C#N)C(C)(C)C	ZINC000537092168	330398411	/nfs/dbraw/zinc/39/84/11/330398411.db2.gz	LPGRUGKIZAGSPB-IBGZPJMESA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]Cc1ccccc1C#N)C(C)(C)C	ZINC000537092169	330398440	/nfs/dbraw/zinc/39/84/40/330398440.db2.gz	LPGRUGKIZAGSPB-LJQANCHMSA-N	1	0	292.426	4.744	20	30		CJEDRO
CC(C)(C)c1ccc(C(C)(C)[NH2+]CCCCC#N)cc1	ZINC000537103678	330399372	/nfs/dbraw/zinc/39/93/72/330399372.db2.gz	LAQORNYMDHWJHL-UHFFFAOYSA-N	1	0	272.436	4.503	20	30		CJEDRO
CC(C)(C)C[NH+](CCCC(C)(C)C#N)CC(C)(C)C	ZINC000537119935	330401247	/nfs/dbraw/zinc/40/12/47/330401247.db2.gz	OWZYYDZJZNTAJZ-UHFFFAOYSA-N	1	0	266.473	4.711	20	30		CJEDRO
N#CCCCC[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1	ZINC000537131032	330402408	/nfs/dbraw/zinc/40/24/08/330402408.db2.gz	MKKMFPYHSVJCAH-QGZVFWFLSA-N	1	0	290.838	4.855	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1C(F)(F)F	ZINC000537141131	330405029	/nfs/dbraw/zinc/40/50/29/330405029.db2.gz	KYHFNFIQFWAXTF-LBPRGKRZSA-N	1	0	298.352	4.686	20	30		CJEDRO
C=C(C)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1	ZINC000537156294	330408308	/nfs/dbraw/zinc/40/83/08/330408308.db2.gz	DPRVLIPQXBYYNT-OAHLLOKOSA-N	1	0	281.399	4.589	20	30		CJEDRO
N#CC1(C[NH2+][C@H](CC2CCCCC2)c2ccccc2)CC1	ZINC000537289018	330431111	/nfs/dbraw/zinc/43/11/11/330431111.db2.gz	BPNQVVIPMLTGDW-GOSISDBHSA-N	1	0	282.431	4.591	20	30		CJEDRO
N#CC1(C[NH2+][C@@H](CC2CCCCC2)c2ccccc2)CC1	ZINC000537289022	330431125	/nfs/dbraw/zinc/43/11/25/330431125.db2.gz	BPNQVVIPMLTGDW-SFHVURJKSA-N	1	0	282.431	4.591	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(SC)c(OC)c1	ZINC000537309245	330432276	/nfs/dbraw/zinc/43/22/76/330432276.db2.gz	ZSOYNJSLXOUBNK-KBPBESRZSA-N	1	0	293.476	4.813	20	30		CJEDRO
CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1	ZINC000537407896	330434848	/nfs/dbraw/zinc/43/48/48/330434848.db2.gz	RJFBQZOSQSOGCB-CQSZACIVSA-N	1	0	296.389	4.672	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)cc1	ZINC000537408299	330435016	/nfs/dbraw/zinc/43/50/16/330435016.db2.gz	UJBZADMHGCRMNJ-IFXJQAMLSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)cc1	ZINC000537408300	330435007	/nfs/dbraw/zinc/43/50/07/330435007.db2.gz	UJBZADMHGCRMNJ-KUHUBIRLSA-N	1	0	296.389	4.808	20	30		CJEDRO
CC(C)(C#N)CC[NH2+][C@@H](c1ccccc1F)C1CCCC1	ZINC000537411643	330435055	/nfs/dbraw/zinc/43/50/55/330435055.db2.gz	NZLFCEFKDBCLBH-QGZVFWFLSA-N	1	0	288.410	4.586	20	30		CJEDRO
CCC[C@@H](CC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000537973748	333552622	/nfs/dbraw/zinc/55/26/22/333552622.db2.gz	ZQPWHDIIKCRSHO-LMDPOFIKSA-N	1	0	284.447	4.559	20	30		CJEDRO
CCC[C@H](CC)[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000537973749	327251642	/nfs/dbraw/zinc/25/16/42/327251642.db2.gz	ZQPWHDIIKCRSHO-VIQWUECVSA-N	1	0	284.447	4.559	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)c(Cl)c1	ZINC000538098201	333573597	/nfs/dbraw/zinc/57/35/97/333573597.db2.gz	FDRDYZBBTDHHKO-OAHLLOKOSA-N	1	0	299.245	4.974	20	30		CJEDRO
C=CCCC[NH2+][C@@H](C)c1ccc(-c2csc(C)n2)cc1	ZINC000538177826	333578023	/nfs/dbraw/zinc/57/80/23/333578023.db2.gz	GORYCQFKYFFCLV-ZDUSSCGKSA-N	1	0	286.444	4.735	20	30		CJEDRO
C[C@H]([NH2+]CCCC#N)c1ccccc1-c1ccc(Cl)cc1	ZINC000538215716	333579989	/nfs/dbraw/zinc/57/99/89/333579989.db2.gz	ZAOUGWFVZSWCGQ-AWEZNQCLSA-N	1	0	298.817	4.961	20	30		CJEDRO
C[C@@H]([NH2+]CCCC#N)c1ccccc1-c1ccc(Cl)cc1	ZINC000538215720	333579897	/nfs/dbraw/zinc/57/98/97/333579897.db2.gz	ZAOUGWFVZSWCGQ-CQSZACIVSA-N	1	0	298.817	4.961	20	30		CJEDRO
Cc1cccc([C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C)c1	ZINC000538236467	333580807	/nfs/dbraw/zinc/58/08/07/333580807.db2.gz	OXHYAWALOVCQQV-IBGZPJMESA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cccc([C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C)c1	ZINC000538236469	333580637	/nfs/dbraw/zinc/58/06/37/333580637.db2.gz	OXHYAWALOVCQQV-LJQANCHMSA-N	1	0	292.426	4.744	20	30		CJEDRO
Cc1cc([C@@H]([NH2+]CCCC(C)(C)C#N)C2CC2)ccc1F	ZINC000538319770	333585124	/nfs/dbraw/zinc/58/51/24/333585124.db2.gz	FEFJOOGEKHTQRN-KRWDZBQOSA-N	1	0	288.410	4.505	20	30		CJEDRO
Cc1cc([C@H]([NH2+]CCCC(C)(C)C#N)C2CC2)ccc1F	ZINC000538319779	333585063	/nfs/dbraw/zinc/58/50/63/333585063.db2.gz	FEFJOOGEKHTQRN-QGZVFWFLSA-N	1	0	288.410	4.505	20	30		CJEDRO
CCC[C@H]([NH2+]CCCC(C)(C)C#N)C1CCCCC1	ZINC000538390991	333587919	/nfs/dbraw/zinc/58/79/19/333587919.db2.gz	WKQHLBKTPHHPOC-INIZCTEOSA-N	1	0	264.457	4.655	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)c1cccc(C#N)c1	ZINC000538393636	333588211	/nfs/dbraw/zinc/58/82/11/333588211.db2.gz	CGLFAAICRZWOQI-BEVDRBHNSA-N	1	0	290.410	4.545	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCC[C@H]1c1ccccc1)c1cccc(C#N)c1	ZINC000538393638	333588226	/nfs/dbraw/zinc/58/82/26/333588226.db2.gz	CGLFAAICRZWOQI-YSSFQJQWSA-N	1	0	290.410	4.545	20	30		CJEDRO
N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)s1	ZINC000538401200	333588580	/nfs/dbraw/zinc/58/85/80/333588580.db2.gz	RQRCMWAFSOSRHU-UHFFFAOYSA-N	1	0	296.439	4.569	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]CC1(Sc2ccccc2)CC1	ZINC000538502268	333600514	/nfs/dbraw/zinc/60/05/14/333600514.db2.gz	HFUUNTDPEWUYTE-LSDHHAIUSA-N	1	0	275.461	4.502	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1	ZINC000538511026	333601859	/nfs/dbraw/zinc/60/18/59/333601859.db2.gz	BIELQXRNAJDMKX-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1	ZINC000538511027	333601888	/nfs/dbraw/zinc/60/18/88/333601888.db2.gz	BIELQXRNAJDMKX-GJZGRUSLSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1	ZINC000538511028	330326314	/nfs/dbraw/zinc/32/63/14/330326314.db2.gz	BIELQXRNAJDMKX-HUUCEWRRSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1	ZINC000538511029	330326336	/nfs/dbraw/zinc/32/63/36/330326336.db2.gz	BIELQXRNAJDMKX-LSDHHAIUSA-N	1	0	296.389	4.726	20	30		CJEDRO
CC(C)[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1Cl	ZINC000538513691	333602481	/nfs/dbraw/zinc/60/24/81/333602481.db2.gz	VIGJUYCRZXPBEQ-HNNXBMFYSA-N	1	0	278.827	4.567	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C	ZINC000538514274	333602459	/nfs/dbraw/zinc/60/24/59/333602459.db2.gz	UFNLCQIHCDGEKA-MRXNPFEDSA-N	1	0	272.436	4.612	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1OC	ZINC000539057851	333652796	/nfs/dbraw/zinc/65/27/96/333652796.db2.gz	LTTXVMIYJMWHFE-KHYOSLBOSA-N	1	0	299.414	4.568	20	30		CJEDRO
CCCC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1	ZINC000539065311	333654253	/nfs/dbraw/zinc/65/42/53/333654253.db2.gz	IBWQVMXJZDCVRD-UHFFFAOYSA-N	1	0	296.458	4.560	20	30		CJEDRO
CC1(C)CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1	ZINC000539066146	333654446	/nfs/dbraw/zinc/65/44/46/333654446.db2.gz	MUBMFXXOQVPWFP-QPIRBTGLSA-N	1	0	296.458	4.559	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21	ZINC000539072305	333655227	/nfs/dbraw/zinc/65/52/27/333655227.db2.gz	XJCXEWXHSFAQPP-HIFRSBDPSA-N	1	0	298.455	4.742	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21	ZINC000539072311	333655077	/nfs/dbraw/zinc/65/50/77/333655077.db2.gz	XJCXEWXHSFAQPP-UKRRQHHQSA-N	1	0	298.455	4.742	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21	ZINC000539072315	333655057	/nfs/dbraw/zinc/65/50/57/333655057.db2.gz	XJCXEWXHSFAQPP-ZFWWWQNUSA-N	1	0	298.455	4.742	20	30		CJEDRO
C=C(CC)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1	ZINC000539095047	333657692	/nfs/dbraw/zinc/65/76/92/333657692.db2.gz	BGYAROSHODZPJL-INIZCTEOSA-N	1	0	275.392	4.532	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1	ZINC000539243554	333662858	/nfs/dbraw/zinc/66/28/58/333662858.db2.gz	PHARBZZPQBETJJ-IBGZPJMESA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1	ZINC000539243564	333662997	/nfs/dbraw/zinc/66/29/97/333662997.db2.gz	PHARBZZPQBETJJ-LJQANCHMSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000539243981	333662999	/nfs/dbraw/zinc/66/29/99/333662999.db2.gz	XQJJNNSHSKZRER-IBGZPJMESA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000539243984	333662864	/nfs/dbraw/zinc/66/28/64/333662864.db2.gz	XQJJNNSHSKZRER-LJQANCHMSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1	ZINC000539244931	333663040	/nfs/dbraw/zinc/66/30/40/333663040.db2.gz	PXCKBXBXKPKADW-GOSISDBHSA-N	1	0	296.389	4.574	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1ccc(C#N)cc1	ZINC000539256942	333663295	/nfs/dbraw/zinc/66/32/95/333663295.db2.gz	LOTHAMQFXLMXAE-HOTGVXAUSA-N	1	0	292.426	4.575	20	30		CJEDRO
N#CCCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1	ZINC000539310353	333665454	/nfs/dbraw/zinc/66/54/54/333665454.db2.gz	SURZXZLUBJYFHK-SFHVURJKSA-N	1	0	298.817	4.517	20	30		CJEDRO
C=CC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	ZINC000539424130	333670891	/nfs/dbraw/zinc/67/08/91/333670891.db2.gz	UCNUAODUNGRNTO-CYBMUJFWSA-N	1	0	289.728	4.586	20	30		CJEDRO
C=CC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1	ZINC000539424133	333670761	/nfs/dbraw/zinc/67/07/61/333670761.db2.gz	UCNUAODUNGRNTO-ZDUSSCGKSA-N	1	0	289.728	4.586	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000539493053	333673515	/nfs/dbraw/zinc/67/35/15/333673515.db2.gz	GENCKGCRZJTWSP-HNNXBMFYSA-N	1	0	290.838	4.711	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1	ZINC000539493056	333673502	/nfs/dbraw/zinc/67/35/02/333673502.db2.gz	GENCKGCRZJTWSP-OAHLLOKOSA-N	1	0	290.838	4.711	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C	ZINC000539496704	333673973	/nfs/dbraw/zinc/67/39/73/333673973.db2.gz	QQQOBFDRSRYHAH-OXQOHEQNSA-N	1	0	292.426	4.915	20	30		CJEDRO
C[C@H]([NH2+]Cc1csc2ccccc12)c1cccc(C#N)c1	ZINC000539497574	333674322	/nfs/dbraw/zinc/67/43/22/333674322.db2.gz	MABMPXUYNIPBMM-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
Cc1ccc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C2CC2)cc1	ZINC000539500203	333674585	/nfs/dbraw/zinc/67/45/85/333674585.db2.gz	UELCTDUVXXPCMC-FOIQADDNSA-N	1	0	290.410	4.669	20	30		CJEDRO
Cc1ccc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C2CC2)cc1	ZINC000539500206	333674535	/nfs/dbraw/zinc/67/45/35/333674535.db2.gz	UELCTDUVXXPCMC-YWZLYKJASA-N	1	0	290.410	4.669	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1	ZINC000539508587	333675060	/nfs/dbraw/zinc/67/50/60/333675060.db2.gz	QQMFUGMJLBIAHA-JKSUJKDBSA-N	1	0	297.446	4.576	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000539511367	333675614	/nfs/dbraw/zinc/67/56/14/333675614.db2.gz	WFQWBYKFZKHEFP-KKXNLOMOSA-N	1	0	296.458	4.725	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000539511384	333675665	/nfs/dbraw/zinc/67/56/65/333675665.db2.gz	WFQWBYKFZKHEFP-QHGAOEGBSA-N	1	0	296.458	4.725	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](C)c1ccccc1	ZINC000539607495	333680581	/nfs/dbraw/zinc/68/05/81/333680581.db2.gz	PQAMJEMSWLCALA-ZNMIVQPWSA-N	1	0	296.389	4.540	20	30		CJEDRO
Cc1ccccc1[C@H](CC(C)C)[NH2+]CCC(C)(C)C#N	ZINC000539612238	333681426	/nfs/dbraw/zinc/68/14/26/333681426.db2.gz	HZCMCKJFZXTKGK-KRWDZBQOSA-N	1	0	272.436	4.612	20	30		CJEDRO
Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCC(C)(C)C#N	ZINC000539612239	333681353	/nfs/dbraw/zinc/68/13/53/333681353.db2.gz	HZCMCKJFZXTKGK-QGZVFWFLSA-N	1	0	272.436	4.612	20	30		CJEDRO
CC(C)(C)C[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1	ZINC000539612803	333681398	/nfs/dbraw/zinc/68/13/98/333681398.db2.gz	FFPAVNYCIVLMQE-INIZCTEOSA-N	1	0	272.436	4.693	20	30		CJEDRO
CC(C)(C)C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1	ZINC000539612808	333681213	/nfs/dbraw/zinc/68/12/13/333681213.db2.gz	FFPAVNYCIVLMQE-MRXNPFEDSA-N	1	0	272.436	4.693	20	30		CJEDRO
CC(C)(C#N)CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1	ZINC000539614379	333681314	/nfs/dbraw/zinc/68/13/14/333681314.db2.gz	QCBLEIIZHKZBAA-KRWDZBQOSA-N	1	0	288.410	4.586	20	30		CJEDRO
CC(C)(C#N)CC[NH2+][C@@H](c1cccc(F)c1)C1CCCC1	ZINC000539614596	333681607	/nfs/dbraw/zinc/68/16/07/333681607.db2.gz	WKAPPUCEYFGZEA-QGZVFWFLSA-N	1	0	288.410	4.586	20	30		CJEDRO
CCC(CC)[C@@H]([NH2+]CCC(C)(C)C#N)c1cccs1	ZINC000539615577	333681596	/nfs/dbraw/zinc/68/15/96/333681596.db2.gz	NRFDQYGXNKANDU-OAHLLOKOSA-N	1	0	278.465	4.755	20	30		CJEDRO
C=CCC[C@H](CCC)[NH2+]C1(c2nc(C)cs2)CCC1	ZINC000539633205	333682370	/nfs/dbraw/zinc/68/23/70/333682370.db2.gz	PHNGMXFPXBDHHZ-AWEZNQCLSA-N	1	0	278.465	4.555	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21	ZINC000539853840	333698843	/nfs/dbraw/zinc/69/88/43/333698843.db2.gz	CAZCNRBARAFYTR-INIZCTEOSA-N	1	0	298.474	4.761	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C[C@H]1CCC(C)(C)c2ccccc21	ZINC000539853846	333698841	/nfs/dbraw/zinc/69/88/41/333698841.db2.gz	CAZCNRBARAFYTR-MRXNPFEDSA-N	1	0	298.474	4.761	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccccc1	ZINC000540149864	333713260	/nfs/dbraw/zinc/71/32/60/333713260.db2.gz	AQXMCMQDLRUPOE-NVXWUHKLSA-N	1	0	269.388	4.946	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1ccccc1	ZINC000540149865	333713269	/nfs/dbraw/zinc/71/32/69/333713269.db2.gz	AQXMCMQDLRUPOE-RDJZCZTQSA-N	1	0	269.388	4.946	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1ccccc1	ZINC000540149866	333713370	/nfs/dbraw/zinc/71/33/70/333713370.db2.gz	AQXMCMQDLRUPOE-WBVHZDCISA-N	1	0	269.388	4.946	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+][C@H](c1ccco1)c1ccccc1OC	ZINC000540158228	333715277	/nfs/dbraw/zinc/71/52/77/333715277.db2.gz	SAFQZAMACKAPQX-BEFAXECRSA-N	1	0	299.414	4.712	20	30		CJEDRO
C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1	ZINC000540171035	333717231	/nfs/dbraw/zinc/71/72/31/333717231.db2.gz	PIXOXKKRMQTTQN-CVEARBPZSA-N	1	0	295.426	4.977	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1	ZINC000540171037	333717181	/nfs/dbraw/zinc/71/71/81/333717181.db2.gz	PIXOXKKRMQTTQN-HOTGVXAUSA-N	1	0	295.426	4.977	20	30		CJEDRO
C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1	ZINC000540171041	333717191	/nfs/dbraw/zinc/71/71/91/333717191.db2.gz	PIXOXKKRMQTTQN-JKSUJKDBSA-N	1	0	295.426	4.977	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](c1nccs1)c1ccccc1	ZINC000540349444	333726605	/nfs/dbraw/zinc/72/66/05/333726605.db2.gz	PZSKJRZMKGJEFY-GDBMZVCRSA-N	1	0	286.444	4.567	20	30		CJEDRO
CC[C@H](C)[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1	ZINC000540412794	333729305	/nfs/dbraw/zinc/72/93/05/333729305.db2.gz	BDKNNEBNDDUSKS-BBRMVZONSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC[C@@H](C)[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1	ZINC000540412802	333729221	/nfs/dbraw/zinc/72/92/21/333729221.db2.gz	BDKNNEBNDDUSKS-CJNGLKHVSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC[C@H](C)[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1	ZINC000540412806	333728955	/nfs/dbraw/zinc/72/89/55/333728955.db2.gz	BDKNNEBNDDUSKS-XJKSGUPXSA-N	1	0	278.827	4.711	20	30		CJEDRO
CC(C)(C)[C@@H](CC1CCCCC1)[NH2+]CCCCC#N	ZINC000540589451	333735960	/nfs/dbraw/zinc/73/59/60/333735960.db2.gz	YADOBQROPIKQHR-MRXNPFEDSA-N	1	0	264.457	4.655	20	30		CJEDRO
CC(C)Cc1ccc([C@@H]([NH2+]CCCCC#N)C2CC2)cc1	ZINC000540591222	333736357	/nfs/dbraw/zinc/73/63/57/333736357.db2.gz	SGNARYGWMKZPKL-LJQANCHMSA-N	1	0	284.447	4.620	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1	ZINC000540591640	333736406	/nfs/dbraw/zinc/73/64/06/333736406.db2.gz	KCQQCGLZWYEQCE-FOIQADDNSA-N	1	0	290.410	4.669	20	30		CJEDRO
Cc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C	ZINC000540593180	333736566	/nfs/dbraw/zinc/73/65/66/333736566.db2.gz	CFKDUGOUXVAMAA-OXJNMPFZSA-N	1	0	292.426	4.915	20	30		CJEDRO
Cc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(C)C	ZINC000540593182	333736558	/nfs/dbraw/zinc/73/65/58/333736558.db2.gz	CFKDUGOUXVAMAA-UZLBHIALSA-N	1	0	292.426	4.915	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)c1cccc(C#N)c1	ZINC000540595469	333736820	/nfs/dbraw/zinc/73/68/20/333736820.db2.gz	VJPUIRMNUOSTBS-HOTGVXAUSA-N	1	0	292.426	4.575	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(C)(C)c1ccccc1	ZINC000540595471	333736879	/nfs/dbraw/zinc/73/68/79/333736879.db2.gz	VJPUIRMNUOSTBS-JKSUJKDBSA-N	1	0	292.426	4.575	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)cc1	ZINC000540667732	333741376	/nfs/dbraw/zinc/74/13/76/333741376.db2.gz	ZSQQULSATMLWRF-OAHLLOKOSA-N	1	0	278.827	4.567	20	30		CJEDRO
CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000540706928	333742481	/nfs/dbraw/zinc/74/24/81/333742481.db2.gz	KKJZKWQAHDQECW-HUUCEWRRSA-N	1	0	296.389	4.542	20	30		CJEDRO
CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000540706931	333742604	/nfs/dbraw/zinc/74/26/04/333742604.db2.gz	KKJZKWQAHDQECW-LSDHHAIUSA-N	1	0	296.389	4.542	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1C	ZINC000540707644	333742801	/nfs/dbraw/zinc/74/28/01/333742801.db2.gz	BCPSSPXYIPEOKW-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1C	ZINC000540707647	333742682	/nfs/dbraw/zinc/74/26/82/333742682.db2.gz	BCPSSPXYIPEOKW-LSDHHAIUSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc([C@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C)c1	ZINC000540715930	333743360	/nfs/dbraw/zinc/74/33/60/333743360.db2.gz	TVHFHLBXBXINDG-INIZCTEOSA-N	1	0	272.436	4.612	20	30		CJEDRO
C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(CC#N)CC1	ZINC000541025083	333759686	/nfs/dbraw/zinc/75/96/86/333759686.db2.gz	XRBGKBWVNVTKMH-NSHDSACASA-N	1	0	297.229	4.680	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1	ZINC000541327552	333772235	/nfs/dbraw/zinc/77/22/35/333772235.db2.gz	HCDKTKBWYKSWKQ-FQEVSTJZSA-N	1	0	292.426	4.630	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccccc1	ZINC000541327554	333772193	/nfs/dbraw/zinc/77/21/93/333772193.db2.gz	HCDKTKBWYKSWKQ-HXUWFJFHSA-N	1	0	292.426	4.630	20	30		CJEDRO
CCCCC/C(=C/c1ccccc1)C[NH2+]CCCC#N	ZINC000541377612	333774179	/nfs/dbraw/zinc/77/41/79/333774179.db2.gz	NFGROVHADNTDQE-SDXDJHTJSA-N	1	0	270.420	4.544	20	30		CJEDRO
CC(C)(C#N)CC[NH2+][C@H](Cc1ccccc1)c1cccs1	ZINC000541592483	333783109	/nfs/dbraw/zinc/78/31/09/333783109.db2.gz	KCDCIARPAZHYPE-MRXNPFEDSA-N	1	0	298.455	4.561	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccs1	ZINC000541626248	333784859	/nfs/dbraw/zinc/78/48/59/333784859.db2.gz	VRBYFLRDRGUNHU-CQSZACIVSA-N	1	0	278.465	4.755	20	30		CJEDRO
C=CCCC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C	ZINC000541660740	333786336	/nfs/dbraw/zinc/78/63/36/333786336.db2.gz	LTLUAVSXHGPDSY-CYBMUJFWSA-N	1	0	286.444	4.735	20	30		CJEDRO
C=C(C)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C	ZINC000541661128	333786327	/nfs/dbraw/zinc/78/63/27/333786327.db2.gz	PVROENGLAJYIGW-CYBMUJFWSA-N	1	0	286.444	4.654	20	30		CJEDRO
C=C(C)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C	ZINC000541661140	333786325	/nfs/dbraw/zinc/78/63/25/333786325.db2.gz	PVROENGLAJYIGW-ZDUSSCGKSA-N	1	0	286.444	4.654	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+]Cc1ccc(-c2csc(C)n2)cc1	ZINC000541742719	333789053	/nfs/dbraw/zinc/78/90/53/333789053.db2.gz	MNQGPZDAYGCFOO-CYBMUJFWSA-N	1	0	286.444	4.563	20	30		CJEDRO
C=CCC[C@H](C)[NH2+]Cc1ccc(-c2csc(C)n2)cc1	ZINC000541742720	328114903	/nfs/dbraw/zinc/11/49/03/328114903.db2.gz	MNQGPZDAYGCFOO-ZDUSSCGKSA-N	1	0	286.444	4.563	20	30		CJEDRO
C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C)(C#N)CC1	ZINC000541881016	333795940	/nfs/dbraw/zinc/79/59/40/333795940.db2.gz	VVHRTFUZNWTTNL-HNNXBMFYSA-N	1	0	284.447	4.671	20	30		CJEDRO
C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(C)(C#N)CC1	ZINC000541881017	333796015	/nfs/dbraw/zinc/79/60/15/333796015.db2.gz	VVHRTFUZNWTTNL-OAHLLOKOSA-N	1	0	284.447	4.671	20	30		CJEDRO
N#CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000542498891	333828522	/nfs/dbraw/zinc/82/85/22/333828522.db2.gz	LTYZNJMTJHJGDM-SWLSCSKDSA-N	1	0	297.229	4.523	20	30		CJEDRO
N#CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000542498892	333828256	/nfs/dbraw/zinc/82/82/56/333828256.db2.gz	LTYZNJMTJHJGDM-WFASDCNBSA-N	1	0	297.229	4.523	20	30		CJEDRO
C[C@H]([NH2+]CCCC#N)c1ccc(SC2CCCC2)cc1	ZINC000542500277	333828817	/nfs/dbraw/zinc/82/88/17/333828817.db2.gz	YLQQSSLMAFFBTR-AWEZNQCLSA-N	1	0	288.460	4.676	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccs1	ZINC000542555261	328813365	/nfs/dbraw/zinc/81/33/65/328813365.db2.gz	BFFWQESLEPCYQG-QGZVFWFLSA-N	1	0	298.455	4.691	20	30		CJEDRO
C=CCC[C@H](C)[NH2+]CCc1nc(C2CCCCC2)cs1	ZINC000542668482	333835610	/nfs/dbraw/zinc/83/56/10/333835610.db2.gz	MEKDJUIRJNIRIB-AWEZNQCLSA-N	1	0	292.492	4.678	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+]CCc1nc(C2CCCCC2)cs1	ZINC000542668483	333835614	/nfs/dbraw/zinc/83/56/14/333835614.db2.gz	MEKDJUIRJNIRIB-CQSZACIVSA-N	1	0	292.492	4.678	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(-c2cccc(C#N)c2)cc1	ZINC000542992348	333852491	/nfs/dbraw/zinc/85/24/91/333852491.db2.gz	GBJNKEWGZNCKNK-GJZGRUSLSA-N	1	0	290.410	4.674	20	30		CJEDRO
C[C@@H]([NH2+]CCCC#N)c1ccc(Cl)c(Cl)c1Cl	ZINC000543429039	333874156	/nfs/dbraw/zinc/87/41/56/333874156.db2.gz	OCJMHXSVKSFYRU-MRVPVSSYSA-N	1	0	291.609	4.601	20	30		CJEDRO
C[C@H]([NH2+]CCCC#N)c1ccc(Cl)c(Cl)c1Cl	ZINC000543429043	333874003	/nfs/dbraw/zinc/87/40/03/333874003.db2.gz	OCJMHXSVKSFYRU-QMMMGPOBSA-N	1	0	291.609	4.601	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)C1CCCCC1	ZINC000543463873	333876640	/nfs/dbraw/zinc/87/66/40/333876640.db2.gz	WEOATKQUWRMUPK-CABCVRRESA-N	1	0	264.457	4.511	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1	ZINC000543546399	333879957	/nfs/dbraw/zinc/87/99/57/333879957.db2.gz	XODNSEQDFVULSN-KGLIPLIRSA-N	1	0	291.439	4.513	20	30		CJEDRO
N#CCC1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1	ZINC000543778814	333897990	/nfs/dbraw/zinc/89/79/90/333897990.db2.gz	VEQUAUCTOUZMAL-UHFFFAOYSA-N	1	0	296.439	4.541	20	30		CJEDRO
C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC#N)CC1	ZINC000543807554	333900837	/nfs/dbraw/zinc/90/08/37/333900837.db2.gz	JETURSWQRZVNQN-HNNXBMFYSA-N	1	0	284.447	4.671	20	30		CJEDRO
C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC#N)CC1	ZINC000543807555	333900897	/nfs/dbraw/zinc/90/08/97/333900897.db2.gz	JETURSWQRZVNQN-OAHLLOKOSA-N	1	0	284.447	4.671	20	30		CJEDRO
C[C@H](c1cccc2ccccc21)[NH+]1CCC(CC#N)CC1	ZINC000543808939	333901251	/nfs/dbraw/zinc/90/12/51/333901251.db2.gz	BHHSAXWWILEVGR-OAHLLOKOSA-N	1	0	278.399	4.526	20	30		CJEDRO
C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(CC#N)CC1	ZINC000543810332	333901191	/nfs/dbraw/zinc/90/11/91/333901191.db2.gz	IMDSWOOWNRVQQW-HNNXBMFYSA-N	1	0	278.399	4.526	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1	ZINC000544479593	333933205	/nfs/dbraw/zinc/93/32/05/333933205.db2.gz	YOJMGRGOJTZCBR-CHWSQXEVSA-N	1	0	280.481	4.836	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1	ZINC000544479594	333933311	/nfs/dbraw/zinc/93/33/11/333933311.db2.gz	YOJMGRGOJTZCBR-OLZOCXBDSA-N	1	0	280.481	4.836	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1	ZINC000544479595	333933255	/nfs/dbraw/zinc/93/32/55/333933255.db2.gz	YOJMGRGOJTZCBR-QWHCGFSZSA-N	1	0	280.481	4.836	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1	ZINC000544479596	333933303	/nfs/dbraw/zinc/93/33/03/333933303.db2.gz	YOJMGRGOJTZCBR-STQMWFEESA-N	1	0	280.481	4.836	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000544608378	333940169	/nfs/dbraw/zinc/94/01/69/333940169.db2.gz	PYGUCAZMRJGKPP-KBPBESRZSA-N	1	0	286.444	4.815	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1	ZINC000544608381	333940191	/nfs/dbraw/zinc/94/01/91/333940191.db2.gz	PYGUCAZMRJGKPP-KGLIPLIRSA-N	1	0	286.444	4.815	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1	ZINC000544608382	333940174	/nfs/dbraw/zinc/94/01/74/333940174.db2.gz	PYGUCAZMRJGKPP-UONOGXRCSA-N	1	0	286.444	4.815	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)CCCC2	ZINC000544878192	333950099	/nfs/dbraw/zinc/95/00/99/333950099.db2.gz	JUKLUCZQALCPQA-OAHLLOKOSA-N	1	0	284.447	4.546	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1	ZINC000544899421	333951667	/nfs/dbraw/zinc/95/16/67/333951667.db2.gz	WHTKHUYZEJIMPJ-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1	ZINC000544899439	333951748	/nfs/dbraw/zinc/95/17/48/333951748.db2.gz	WHTKHUYZEJIMPJ-GJZGRUSLSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1	ZINC000544899444	333951823	/nfs/dbraw/zinc/95/18/23/333951823.db2.gz	WHTKHUYZEJIMPJ-HUUCEWRRSA-N	1	0	296.389	4.726	20	30		CJEDRO
CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1	ZINC000545872965	334003440	/nfs/dbraw/zinc/00/34/40/334003440.db2.gz	SEVWOIBCIHBZFT-HNNXBMFYSA-N	1	0	284.428	4.505	20	30		CJEDRO
CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccc(C)cc2)s1	ZINC000545872967	334003445	/nfs/dbraw/zinc/00/34/45/334003445.db2.gz	SEVWOIBCIHBZFT-OAHLLOKOSA-N	1	0	284.428	4.505	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1	ZINC000546227697	334020814	/nfs/dbraw/zinc/02/08/14/334020814.db2.gz	LLPNSZAAYMXKRJ-CVEARBPZSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1	ZINC000546227698	334020744	/nfs/dbraw/zinc/02/07/44/334020744.db2.gz	LLPNSZAAYMXKRJ-HOTGVXAUSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1	ZINC000546227699	334020859	/nfs/dbraw/zinc/02/08/59/334020859.db2.gz	LLPNSZAAYMXKRJ-HZPDHXFCSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1	ZINC000546227700	334020827	/nfs/dbraw/zinc/02/08/27/334020827.db2.gz	LLPNSZAAYMXKRJ-JKSUJKDBSA-N	1	0	278.399	4.587	20	30		CJEDRO
C[C@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000546686201	334045806	/nfs/dbraw/zinc/04/58/06/334045806.db2.gz	UKQISYYJYVTYSV-CABCVRRESA-N	1	0	296.389	4.542	20	30		CJEDRO
C[C@@H](CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000546686202	334045863	/nfs/dbraw/zinc/04/58/63/334045863.db2.gz	UKQISYYJYVTYSV-GJZGRUSLSA-N	1	0	296.389	4.542	20	30		CJEDRO
C[C@H](CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000546686203	334045798	/nfs/dbraw/zinc/04/57/98/334045798.db2.gz	UKQISYYJYVTYSV-HUUCEWRRSA-N	1	0	296.389	4.542	20	30		CJEDRO
C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)c1ccc(C#N)c(F)c1	ZINC000546686204	334045732	/nfs/dbraw/zinc/04/57/32/334045732.db2.gz	UKQISYYJYVTYSV-LSDHHAIUSA-N	1	0	296.389	4.542	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1	ZINC000546934135	334056348	/nfs/dbraw/zinc/05/63/48/334056348.db2.gz	PGDGMCOOZHQTGY-CVEARBPZSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1	ZINC000546934136	334056325	/nfs/dbraw/zinc/05/63/25/334056325.db2.gz	PGDGMCOOZHQTGY-HOTGVXAUSA-N	1	0	278.399	4.587	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1	ZINC000546934137	334056314	/nfs/dbraw/zinc/05/63/14/334056314.db2.gz	PGDGMCOOZHQTGY-HZPDHXFCSA-N	1	0	278.399	4.587	20	30		CJEDRO
C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc2c(c1)CCCC2	ZINC000546935637	334056269	/nfs/dbraw/zinc/05/62/69/334056269.db2.gz	JUKLUCZQALCPQA-HNNXBMFYSA-N	1	0	284.447	4.546	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F	ZINC000546936176	334056522	/nfs/dbraw/zinc/05/65/22/334056522.db2.gz	YMMQBMDBGHAJPW-CABCVRRESA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F	ZINC000546936181	334056512	/nfs/dbraw/zinc/05/65/12/334056512.db2.gz	YMMQBMDBGHAJPW-GJZGRUSLSA-N	1	0	296.389	4.726	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F	ZINC000546936182	334056262	/nfs/dbraw/zinc/05/62/62/334056262.db2.gz	YMMQBMDBGHAJPW-HUUCEWRRSA-N	1	0	296.389	4.726	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1	ZINC000547507105	334095988	/nfs/dbraw/zinc/09/59/88/334095988.db2.gz	BFWUHRFBLWRSRQ-MOPGFXCFSA-N	1	0	299.364	4.859	20	30		CJEDRO
C=C(C)[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1	ZINC000547507108	334095882	/nfs/dbraw/zinc/09/58/82/334095882.db2.gz	BFWUHRFBLWRSRQ-OALUTQOASA-N	1	0	299.364	4.859	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1	ZINC000547507109	334095828	/nfs/dbraw/zinc/09/58/28/334095828.db2.gz	BFWUHRFBLWRSRQ-RBUKOAKNSA-N	1	0	299.364	4.859	20	30		CJEDRO
C=C(C)[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)c(F)c1	ZINC000547507110	334095900	/nfs/dbraw/zinc/09/59/00/334095900.db2.gz	BFWUHRFBLWRSRQ-RTBURBONSA-N	1	0	299.364	4.859	20	30		CJEDRO
C[C@H]([NH2+]CCC(C)(C)C#N)c1cc(Cl)ccc1Cl	ZINC000547650333	334105509	/nfs/dbraw/zinc/10/55/09/334105509.db2.gz	NHPYUNNEJFDVAK-JTQLQIEISA-N	1	0	285.218	4.584	20	30		CJEDRO
CC1(C#N)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1	ZINC000547741258	334113592	/nfs/dbraw/zinc/11/35/92/334113592.db2.gz	PROPOKXSGKTPFM-UHFFFAOYSA-N	1	0	296.458	4.586	20	30		CJEDRO
N#CCC1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1	ZINC000548398791	334154018	/nfs/dbraw/zinc/15/40/18/334154018.db2.gz	FATIJOOUVGXQKD-UHFFFAOYSA-N	1	0	296.458	4.586	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21	ZINC000548603631	334163339	/nfs/dbraw/zinc/16/33/39/334163339.db2.gz	KGUZQSYWFZDWQG-GUDVDZBRSA-N	1	0	296.458	4.584	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	ZINC000548603632	334163382	/nfs/dbraw/zinc/16/33/82/334163382.db2.gz	KGUZQSYWFZDWQG-IPMKNSEASA-N	1	0	296.458	4.584	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	ZINC000548603633	334163336	/nfs/dbraw/zinc/16/33/36/334163336.db2.gz	KGUZQSYWFZDWQG-OTWHNJEPSA-N	1	0	296.458	4.584	20	30		CJEDRO
CC(C)(C#N)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000548603634	334163362	/nfs/dbraw/zinc/16/33/62/334163362.db2.gz	KGUZQSYWFZDWQG-QRVBRYPASA-N	1	0	296.458	4.584	20	30		CJEDRO
C[C@@H]([NH2+]CCC(C)(C)C#N)c1cc(Cl)ccc1Cl	ZINC000548634618	334164477	/nfs/dbraw/zinc/16/44/77/334164477.db2.gz	NHPYUNNEJFDVAK-SNVBAGLBSA-N	1	0	285.218	4.584	20	30		CJEDRO
CC(C)(C#N)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2	ZINC000548935268	334180805	/nfs/dbraw/zinc/18/08/05/334180805.db2.gz	HKRYOPMOCVMLPJ-REPLKXPHSA-N	1	0	296.458	4.727	20	30		CJEDRO
CC(C)(CCC#N)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2	ZINC000549408663	334192905	/nfs/dbraw/zinc/19/29/05/334192905.db2.gz	OTWBNQSMDUBSRN-REPLKXPHSA-N	1	0	296.458	4.727	20	30		CJEDRO
CCCC(C)(C)[N@H+](CCCCC#N)Cc1cccs1	ZINC000549411272	334193368	/nfs/dbraw/zinc/19/33/68/334193368.db2.gz	SDUFHURGWNRNEZ-UHFFFAOYSA-N	1	0	278.465	4.823	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1	ZINC000549536713	334196683	/nfs/dbraw/zinc/19/66/83/334196683.db2.gz	VRHKMIOVEPELEX-DZKIICNBSA-N	1	0	288.460	4.530	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1	ZINC000549536717	334196827	/nfs/dbraw/zinc/19/68/27/334196827.db2.gz	VRHKMIOVEPELEX-LZWOXQAQSA-N	1	0	288.460	4.530	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1	ZINC000549536718	334196745	/nfs/dbraw/zinc/19/67/45/334196745.db2.gz	VRHKMIOVEPELEX-SQWLQELKSA-N	1	0	288.460	4.530	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]CC1CCC(C(F)(F)F)CC1	ZINC000549829616	334205997	/nfs/dbraw/zinc/20/59/97/334205997.db2.gz	YASDVYIEDDXLED-UHFFFAOYSA-N	1	0	277.374	4.547	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1ccc(-c2ccncc2)cc1F	ZINC000549831057	334206130	/nfs/dbraw/zinc/20/61/30/334206130.db2.gz	ZIOCCQNVCXOHEZ-UHFFFAOYSA-N	1	0	298.405	4.580	20	30		CJEDRO
Cc1ccccc1C(C)(C)[NH2+]CCCCC(C)(C)C#N	ZINC000549869178	334207693	/nfs/dbraw/zinc/20/76/93/334207693.db2.gz	CJHXUNKEIRHKDD-UHFFFAOYSA-N	1	0	272.436	4.540	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1ncc(-c2ccccc2)s1	ZINC000550225267	334216696	/nfs/dbraw/zinc/21/66/96/334216696.db2.gz	AYDDJNHNIXFIPL-UHFFFAOYSA-N	1	0	286.444	4.502	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1cnc(-c2ccsc2)s1	ZINC000550226696	334216705	/nfs/dbraw/zinc/21/67/05/334216705.db2.gz	SJXKJDOYWCMCDH-UHFFFAOYSA-N	1	0	292.473	4.564	20	30		CJEDRO
Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(Cl)cc1C#N	ZINC000550262708	334218076	/nfs/dbraw/zinc/21/80/76/334218076.db2.gz	ORZZXTLPLFHSDT-UHFFFAOYSA-N	1	0	298.817	4.545	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)cc1	ZINC000550621902	334225433	/nfs/dbraw/zinc/22/54/33/334225433.db2.gz	FRDKDGPZSRSDGM-CABCVRRESA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)cc1	ZINC000550621903	334225469	/nfs/dbraw/zinc/22/54/69/334225469.db2.gz	FRDKDGPZSRSDGM-GJZGRUSLSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@H](C)c1cccc(C2CC2)c1)c1ccc(C#N)cc1	ZINC000550621904	334225456	/nfs/dbraw/zinc/22/54/56/334225456.db2.gz	FRDKDGPZSRSDGM-HUUCEWRRSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(C2CC2)c1	ZINC000550621905	334225467	/nfs/dbraw/zinc/22/54/67/334225467.db2.gz	FRDKDGPZSRSDGM-LSDHHAIUSA-N	1	0	290.410	4.847	20	30		CJEDRO
C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCCC1	ZINC000550827988	334229500	/nfs/dbraw/zinc/22/95/00/334229500.db2.gz	UVMRVRZMNKHDMH-APWZRJJASA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCCC1	ZINC000550827989	334229486	/nfs/dbraw/zinc/22/94/86/334229486.db2.gz	UVMRVRZMNKHDMH-LPHOPBHVSA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCCCC1	ZINC000550827990	334229526	/nfs/dbraw/zinc/22/95/26/334229526.db2.gz	UVMRVRZMNKHDMH-QFBILLFUSA-N	1	0	284.447	4.980	20	30		CJEDRO
C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)C1CCCCC1	ZINC000550827991	334229468	/nfs/dbraw/zinc/22/94/68/334229468.db2.gz	UVMRVRZMNKHDMH-VQIMIIECSA-N	1	0	284.447	4.980	20	30		CJEDRO
CCCC[C@@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000550828158	334229624	/nfs/dbraw/zinc/22/96/24/334229624.db2.gz	XSJQEZRKDLLEQO-MSOLQXFVSA-N	1	0	272.436	4.980	20	30		CJEDRO
CCCC[C@@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000550828159	334229616	/nfs/dbraw/zinc/22/96/16/334229616.db2.gz	XSJQEZRKDLLEQO-QZTJIDSGSA-N	1	0	272.436	4.980	20	30		CJEDRO
CCCC[C@H](CC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000550828160	334229695	/nfs/dbraw/zinc/22/96/95/334229695.db2.gz	XSJQEZRKDLLEQO-ROUUACIJSA-N	1	0	272.436	4.980	20	30		CJEDRO
CCCC[C@H](CC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000550828161	334229678	/nfs/dbraw/zinc/22/96/78/334229678.db2.gz	XSJQEZRKDLLEQO-ZWKOTPCHSA-N	1	0	272.436	4.980	20	30		CJEDRO
C=CCC[C@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F	ZINC000550856233	334230537	/nfs/dbraw/zinc/23/05/37/334230537.db2.gz	ISMISXGNKTYAHN-DZGCQCFKSA-N	1	0	285.353	4.667	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F	ZINC000550856234	334230500	/nfs/dbraw/zinc/23/05/00/334230500.db2.gz	ISMISXGNKTYAHN-HIFRSBDPSA-N	1	0	285.353	4.667	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F	ZINC000550856235	334230389	/nfs/dbraw/zinc/23/03/89/334230389.db2.gz	ISMISXGNKTYAHN-UKRRQHHQSA-N	1	0	285.353	4.667	20	30		CJEDRO
C=CCC[C@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F	ZINC000550856236	334230265	/nfs/dbraw/zinc/23/02/65/334230265.db2.gz	ISMISXGNKTYAHN-ZFWWWQNUSA-N	1	0	285.353	4.667	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F	ZINC000550857574	334230481	/nfs/dbraw/zinc/23/04/81/334230481.db2.gz	BPFZGANNJSFSDB-DZKIICNBSA-N	1	0	299.380	4.913	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](c1ccccc1)C(F)(F)F	ZINC000550857577	334230402	/nfs/dbraw/zinc/23/04/02/334230402.db2.gz	BPFZGANNJSFSDB-LZWOXQAQSA-N	1	0	299.380	4.913	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F	ZINC000550857579	334230409	/nfs/dbraw/zinc/23/04/09/334230409.db2.gz	BPFZGANNJSFSDB-OFQRWUPVSA-N	1	0	299.380	4.913	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](c1ccccc1)C(F)(F)F	ZINC000550857580	334230465	/nfs/dbraw/zinc/23/04/65/334230465.db2.gz	BPFZGANNJSFSDB-SQWLQELKSA-N	1	0	299.380	4.913	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1	ZINC000550857795	334230505	/nfs/dbraw/zinc/23/05/05/334230505.db2.gz	YXMCSRABOLTHLU-GOSISDBHSA-N	1	0	298.405	4.502	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1	ZINC000550857796	334230398	/nfs/dbraw/zinc/23/03/98/334230398.db2.gz	YXMCSRABOLTHLU-SFHVURJKSA-N	1	0	298.405	4.502	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl	ZINC000550920841	334233575	/nfs/dbraw/zinc/23/35/75/334233575.db2.gz	JSUQJYSSQZUJQU-KPZWWZAWSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl	ZINC000550920842	334233439	/nfs/dbraw/zinc/23/34/39/334233439.db2.gz	JSUQJYSSQZUJQU-SGTLLEGYSA-N	1	0	296.801	4.550	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)c2ccccc21	ZINC000551200195	334240632	/nfs/dbraw/zinc/24/06/32/334240632.db2.gz	GDNKLBQFHFKWEE-AWEZNQCLSA-N	1	0	298.405	4.959	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)c2ccccc21	ZINC000551200196	334240636	/nfs/dbraw/zinc/24/06/36/334240636.db2.gz	GDNKLBQFHFKWEE-CQSZACIVSA-N	1	0	298.405	4.959	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1coc2ccccc12)c1ccco1	ZINC000551204472	334240749	/nfs/dbraw/zinc/24/07/49/334240749.db2.gz	DCVPJUWEBVXXMO-INIZCTEOSA-N	1	0	281.355	4.823	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1coc2ccccc12)c1ccco1	ZINC000551204473	334240737	/nfs/dbraw/zinc/24/07/37/334240737.db2.gz	DCVPJUWEBVXXMO-MRXNPFEDSA-N	1	0	281.355	4.823	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1	ZINC000551239966	334242122	/nfs/dbraw/zinc/24/21/22/334242122.db2.gz	BTXCSHFCEPUCHD-DLBZAZTESA-N	1	0	286.463	4.608	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1	ZINC000551239967	334242247	/nfs/dbraw/zinc/24/22/47/334242247.db2.gz	BTXCSHFCEPUCHD-IAGOWNOFSA-N	1	0	286.463	4.608	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1	ZINC000551239968	334242119	/nfs/dbraw/zinc/24/21/19/334242119.db2.gz	BTXCSHFCEPUCHD-IRXDYDNUSA-N	1	0	286.463	4.608	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1	ZINC000551239969	334242218	/nfs/dbraw/zinc/24/22/18/334242218.db2.gz	BTXCSHFCEPUCHD-SJORKVTESA-N	1	0	286.463	4.608	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1	ZINC000551240391	334242486	/nfs/dbraw/zinc/24/24/86/334242486.db2.gz	LHMCKBLCRJUCDQ-UHFFFAOYSA-N	1	0	296.458	4.582	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(SC)c(OC)c1	ZINC000551241661	334242569	/nfs/dbraw/zinc/24/25/69/334242569.db2.gz	UNFMKDAVSABTKO-CYBMUJFWSA-N	1	0	293.476	4.670	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1	ZINC000551241663	334242580	/nfs/dbraw/zinc/24/25/80/334242580.db2.gz	UNFMKDAVSABTKO-ZDUSSCGKSA-N	1	0	293.476	4.670	20	30		CJEDRO
CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000551430974	334250286	/nfs/dbraw/zinc/25/02/86/334250286.db2.gz	MYRZGZZYYDQWGB-IBGZPJMESA-N	1	0	290.410	4.600	20	30		CJEDRO
CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1	ZINC000551430976	334250317	/nfs/dbraw/zinc/25/03/17/334250317.db2.gz	MYRZGZZYYDQWGB-LJQANCHMSA-N	1	0	290.410	4.600	20	30		CJEDRO
CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1	ZINC000551551899	334254053	/nfs/dbraw/zinc/25/40/53/334254053.db2.gz	GRELWPHAIZZAGY-IBGZPJMESA-N	1	0	290.410	4.597	20	30		CJEDRO
CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C)cc1	ZINC000551551900	334253914	/nfs/dbraw/zinc/25/39/14/334253914.db2.gz	GRELWPHAIZZAGY-LJQANCHMSA-N	1	0	290.410	4.597	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1	ZINC000551553336	334253941	/nfs/dbraw/zinc/25/39/41/334253941.db2.gz	ZADJXSJGEOAFNN-INIZCTEOSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1cc(C)cc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1	ZINC000551553337	334253932	/nfs/dbraw/zinc/25/39/32/334253932.db2.gz	ZADJXSJGEOAFNN-MRXNPFEDSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1C	ZINC000551556725	334254080	/nfs/dbraw/zinc/25/40/80/334254080.db2.gz	UPBUOFCWWPAELW-INIZCTEOSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1C	ZINC000551556726	334254182	/nfs/dbraw/zinc/25/41/82/334254182.db2.gz	UPBUOFCWWPAELW-MRXNPFEDSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1	ZINC000551563389	334254536	/nfs/dbraw/zinc/25/45/36/334254536.db2.gz	GPJPNSWVJNKPOB-INIZCTEOSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1	ZINC000551563390	334254508	/nfs/dbraw/zinc/25/45/08/334254508.db2.gz	GPJPNSWVJNKPOB-MRXNPFEDSA-N	1	0	290.410	4.515	20	30		CJEDRO
CC(C)(C#N)CCCC[NH2+]C(C)(C)c1ccc(Cl)cc1	ZINC000551723324	334259183	/nfs/dbraw/zinc/25/91/83/334259183.db2.gz	IJCYQYFJCGHOAB-UHFFFAOYSA-N	1	0	292.854	4.885	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(CC)s1)c1ccco1	ZINC000552033597	334278968	/nfs/dbraw/zinc/27/89/68/334278968.db2.gz	KIKMKXNPTJONTQ-HNNXBMFYSA-N	1	0	275.417	4.701	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(CC)s1)c1ccco1	ZINC000552033598	334279017	/nfs/dbraw/zinc/27/90/17/334279017.db2.gz	KIKMKXNPTJONTQ-OAHLLOKOSA-N	1	0	275.417	4.701	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccco1	ZINC000552040498	334280163	/nfs/dbraw/zinc/28/01/63/334280163.db2.gz	SZTCWOWUCORKJU-INIZCTEOSA-N	1	0	281.355	4.823	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccco1	ZINC000552040499	334280088	/nfs/dbraw/zinc/28/00/88/334280088.db2.gz	SZTCWOWUCORKJU-MRXNPFEDSA-N	1	0	281.355	4.823	20	30		CJEDRO
CC(C)Cc1cccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000552040971	334279975	/nfs/dbraw/zinc/27/99/75/334279975.db2.gz	QCBNSKZNNUFQFS-INIZCTEOSA-N	1	0	292.426	4.608	20	30		CJEDRO
CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c1	ZINC000552040972	334280156	/nfs/dbraw/zinc/28/01/56/334280156.db2.gz	QCBNSKZNNUFQFS-MRXNPFEDSA-N	1	0	292.426	4.608	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccco1	ZINC000552043918	334280510	/nfs/dbraw/zinc/28/05/10/334280510.db2.gz	GTDLAXAEDOLZNF-CGICMKJESA-N	1	0	267.372	4.590	20	30		CJEDRO
C=CCC[C@H]([NH2+]C/C=C\c1ccccc1)c1ccco1	ZINC000552043919	334280671	/nfs/dbraw/zinc/28/06/71/334280671.db2.gz	GTDLAXAEDOLZNF-GJBHZFNWSA-N	1	0	267.372	4.590	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccco1	ZINC000552043920	334280656	/nfs/dbraw/zinc/28/06/56/334280656.db2.gz	GTDLAXAEDOLZNF-VDZSZVPASA-N	1	0	267.372	4.590	20	30		CJEDRO
C=CCC[C@H]([NH2+]C/C=C/c1ccccc1)c1ccco1	ZINC000552043921	334280542	/nfs/dbraw/zinc/28/05/42/334280542.db2.gz	GTDLAXAEDOLZNF-ZBZNSMLMSA-N	1	0	267.372	4.590	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccccc1CC)c1ccco1	ZINC000552044308	334280910	/nfs/dbraw/zinc/28/09/10/334280910.db2.gz	ZSUONXPUVJWYMS-KRWDZBQOSA-N	1	0	269.388	4.639	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccccc1CC)c1ccco1	ZINC000552044309	334280760	/nfs/dbraw/zinc/28/07/60/334280760.db2.gz	ZSUONXPUVJWYMS-QGZVFWFLSA-N	1	0	269.388	4.639	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccco1	ZINC000552055036	334282317	/nfs/dbraw/zinc/28/23/17/334282317.db2.gz	YJUPUORMXIBHJP-KBPBESRZSA-N	1	0	283.362	4.702	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccco1	ZINC000552055037	334282250	/nfs/dbraw/zinc/28/22/50/334282250.db2.gz	YJUPUORMXIBHJP-KGLIPLIRSA-N	1	0	283.362	4.702	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccco1	ZINC000552055038	334282261	/nfs/dbraw/zinc/28/22/61/334282261.db2.gz	YJUPUORMXIBHJP-UONOGXRCSA-N	1	0	283.362	4.702	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccco1	ZINC000552055039	334282259	/nfs/dbraw/zinc/28/22/59/334282259.db2.gz	YJUPUORMXIBHJP-ZIAGYGMSSA-N	1	0	283.362	4.702	20	30		CJEDRO
C=CCC[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccco1	ZINC000552057155	334282512	/nfs/dbraw/zinc/28/25/12/334282512.db2.gz	HDNOSILPNGURLJ-HNNXBMFYSA-N	1	0	259.393	4.599	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccco1	ZINC000552057156	334282586	/nfs/dbraw/zinc/28/25/86/334282586.db2.gz	HDNOSILPNGURLJ-OAHLLOKOSA-N	1	0	259.393	4.599	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@H](OCC)c1ccccc1)c1ccco1	ZINC000552057550	334282524	/nfs/dbraw/zinc/28/25/24/334282524.db2.gz	ZNRPNDURHAOCLI-HKUYNNGSSA-N	1	0	299.414	4.654	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@@H](OCC)c1ccccc1)c1ccco1	ZINC000552057551	334282658	/nfs/dbraw/zinc/28/26/58/334282658.db2.gz	ZNRPNDURHAOCLI-IEBWSBKVSA-N	1	0	299.414	4.654	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H](OCC)c1ccccc1)c1ccco1	ZINC000552057552	334282618	/nfs/dbraw/zinc/28/26/18/334282618.db2.gz	ZNRPNDURHAOCLI-MJGOQNOKSA-N	1	0	299.414	4.654	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H](OCC)c1ccccc1)c1ccco1	ZINC000552057553	334282474	/nfs/dbraw/zinc/28/24/74/334282474.db2.gz	ZNRPNDURHAOCLI-PKOBYXMFSA-N	1	0	299.414	4.654	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccccc1OCC=C)c1ccco1	ZINC000552058133	334282726	/nfs/dbraw/zinc/28/27/26/334282726.db2.gz	WRSBZYJJFQKDMP-KRWDZBQOSA-N	1	0	297.398	4.642	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccccc1OCC=C)c1ccco1	ZINC000552058134	334282911	/nfs/dbraw/zinc/28/29/11/334282911.db2.gz	WRSBZYJJFQKDMP-QGZVFWFLSA-N	1	0	297.398	4.642	20	30		CJEDRO
N#CCCC[C@H]([NH2+]CCC1CCCCC1)c1ccccc1	ZINC000552083494	334287112	/nfs/dbraw/zinc/28/71/12/334287112.db2.gz	IPZDNMHMCJWDJU-IBGZPJMESA-N	1	0	284.447	4.982	20	30		CJEDRO
N#CCCC[C@@H]([NH2+]CCC1CCCCC1)c1ccccc1	ZINC000552083495	334287072	/nfs/dbraw/zinc/28/70/72/334287072.db2.gz	IPZDNMHMCJWDJU-LJQANCHMSA-N	1	0	284.447	4.982	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccccc1OC(C)C)c1ccco1	ZINC000552234804	334306607	/nfs/dbraw/zinc/30/66/07/334306607.db2.gz	KNJFAISEMWMSJJ-KRWDZBQOSA-N	1	0	299.414	4.864	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccccc1OC(C)C)c1ccco1	ZINC000552234805	334306603	/nfs/dbraw/zinc/30/66/03/334306603.db2.gz	KNJFAISEMWMSJJ-QGZVFWFLSA-N	1	0	299.414	4.864	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(C)cc1C)c1ccco1	ZINC000552239457	334307001	/nfs/dbraw/zinc/30/70/01/334307001.db2.gz	MIZNYNSEUQENMD-KRWDZBQOSA-N	1	0	269.388	4.694	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1C)c1ccco1	ZINC000552239458	334307179	/nfs/dbraw/zinc/30/71/79/334307179.db2.gz	MIZNYNSEUQENMD-QGZVFWFLSA-N	1	0	269.388	4.694	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccco1	ZINC000552252381	334308964	/nfs/dbraw/zinc/30/89/64/334308964.db2.gz	LHYBTKYJPUUIRN-GOSISDBHSA-N	1	0	292.382	4.625	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccco1	ZINC000552252382	334309065	/nfs/dbraw/zinc/30/90/65/334309065.db2.gz	LHYBTKYJPUUIRN-SFHVURJKSA-N	1	0	292.382	4.625	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccco1	ZINC000552252751	334308942	/nfs/dbraw/zinc/30/89/42/334308942.db2.gz	WCJLNQBKBGOBLX-HNNXBMFYSA-N	1	0	293.769	4.869	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccco1	ZINC000552252752	334309152	/nfs/dbraw/zinc/30/91/52/334309152.db2.gz	WCJLNQBKBGOBLX-OAHLLOKOSA-N	1	0	293.769	4.869	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccco1	ZINC000552258653	334309918	/nfs/dbraw/zinc/30/99/18/334309918.db2.gz	SPCFTHDVPTZGBS-GOSISDBHSA-N	1	0	294.398	4.601	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccco1	ZINC000552258654	334309810	/nfs/dbraw/zinc/30/98/10/334309810.db2.gz	SPCFTHDVPTZGBS-SFHVURJKSA-N	1	0	294.398	4.601	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccco1	ZINC000552266643	334310388	/nfs/dbraw/zinc/31/03/88/334310388.db2.gz	XIWQYWZRSOAYMN-GOSISDBHSA-N	1	0	292.382	4.625	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccco1	ZINC000552266644	334310465	/nfs/dbraw/zinc/31/04/65/334310465.db2.gz	XIWQYWZRSOAYMN-SFHVURJKSA-N	1	0	292.382	4.625	20	30		CJEDRO
CCC[N@H+](CCc1cccs1)[C@@H](C)c1ccc(C#N)cc1	ZINC000552282502	334312686	/nfs/dbraw/zinc/31/26/86/334312686.db2.gz	SISCBEBGIWQRIL-HNNXBMFYSA-N	1	0	298.455	4.635	20	30		CJEDRO
CCC[N@H+](CCc1cccs1)[C@H](C)c1ccc(C#N)cc1	ZINC000552282505	334312798	/nfs/dbraw/zinc/31/27/98/334312798.db2.gz	SISCBEBGIWQRIL-OAHLLOKOSA-N	1	0	298.455	4.635	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccco1	ZINC000552283764	334313040	/nfs/dbraw/zinc/31/30/40/334313040.db2.gz	JWIQISQZXUBBAA-GOSISDBHSA-N	1	0	281.399	4.954	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccco1	ZINC000552283767	334312949	/nfs/dbraw/zinc/31/29/49/334312949.db2.gz	JWIQISQZXUBBAA-SFHVURJKSA-N	1	0	281.399	4.954	20	30		CJEDRO
C=CCCC[C@H](C)[NH+]1CCC(OC2CCCCC2)CC1	ZINC000552827518	334346857	/nfs/dbraw/zinc/34/68/57/334346857.db2.gz	UBRKHAJJIKUWGD-INIZCTEOSA-N	1	0	279.468	4.545	20	30		CJEDRO
C=CCCC[C@@H](C)[NH+]1CCC(OC2CCCCC2)CC1	ZINC000552827521	334346854	/nfs/dbraw/zinc/34/68/54/334346854.db2.gz	UBRKHAJJIKUWGD-MRXNPFEDSA-N	1	0	279.468	4.545	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1	ZINC000553304927	334375756	/nfs/dbraw/zinc/37/57/56/334375756.db2.gz	ACWHEQVRLIFGNX-QRWLVFNGSA-N	1	0	290.410	4.595	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1	ZINC000553451611	334385945	/nfs/dbraw/zinc/38/59/45/334385945.db2.gz	PSDWQNVKBAOVJK-KRWDZBQOSA-N	1	0	286.806	4.532	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1	ZINC000553451612	334386058	/nfs/dbraw/zinc/38/60/58/334386058.db2.gz	PSDWQNVKBAOVJK-QGZVFWFLSA-N	1	0	286.806	4.532	20	30		CJEDRO
CC(C)[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1	ZINC000553460004	334386466	/nfs/dbraw/zinc/38/64/66/334386466.db2.gz	LUMLVVHUCLRMJK-UHFFFAOYSA-N	1	0	290.410	4.598	20	30		CJEDRO
CC(C)C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccs1	ZINC000553675873	334395546	/nfs/dbraw/zinc/39/55/46/334395546.db2.gz	WIKSSBBRVFQYLN-AWEZNQCLSA-N	1	0	290.457	4.558	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccs1	ZINC000553675874	334395462	/nfs/dbraw/zinc/39/54/62/334395462.db2.gz	WIKSSBBRVFQYLN-CQSZACIVSA-N	1	0	290.457	4.558	20	30		CJEDRO
CC[N@H+](CCC(C)(C)C#N)Cc1ccc2ccccc2c1	ZINC000553707329	334396239	/nfs/dbraw/zinc/39/62/39/334396239.db2.gz	FZUSBHVACOYEKZ-UHFFFAOYSA-N	1	0	280.415	4.602	20	30		CJEDRO
CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000553766557	334398283	/nfs/dbraw/zinc/39/82/83/334398283.db2.gz	DTTFJMIIQSROSK-AUUYWEPGSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000553766558	334398264	/nfs/dbraw/zinc/39/82/64/334398264.db2.gz	DTTFJMIIQSROSK-IFXJQAMLSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000553766559	334398257	/nfs/dbraw/zinc/39/82/57/334398257.db2.gz	DTTFJMIIQSROSK-KUHUBIRLSA-N	1	0	296.389	4.889	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1	ZINC000553766560	334398270	/nfs/dbraw/zinc/39/82/70/334398270.db2.gz	DTTFJMIIQSROSK-LIRRHRJNSA-N	1	0	296.389	4.889	20	30		CJEDRO
C=C(C)C[N@@H+](CC)Cc1ccc(-c2ccccc2C#N)cc1	ZINC000553818699	334399621	/nfs/dbraw/zinc/39/96/21/334399621.db2.gz	ATWVGRYSNUVNIN-UHFFFAOYSA-N	1	0	290.410	4.623	20	30		CJEDRO
C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000553858344	334401020	/nfs/dbraw/zinc/40/10/20/334401020.db2.gz	CJCSWPXSVVLFLG-CYBMUJFWSA-N	1	0	296.801	4.552	20	30		CJEDRO
C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1	ZINC000553858348	334401225	/nfs/dbraw/zinc/40/12/25/334401225.db2.gz	CJCSWPXSVVLFLG-ZDUSSCGKSA-N	1	0	296.801	4.552	20	30		CJEDRO
CCC(C)(C)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1	ZINC000553920006	334403271	/nfs/dbraw/zinc/40/32/71/334403271.db2.gz	WPUOZGNFXNFDPB-UHFFFAOYSA-N	1	0	298.455	4.597	20	30		CJEDRO
C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CC(C)(C)CCC#N	ZINC000554068510	334408654	/nfs/dbraw/zinc/40/86/54/334408654.db2.gz	XUOMKVPDHIRUEA-KBPBESRZSA-N	1	0	292.854	4.752	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)c1ccc(Cl)cc1	ZINC000554068511	334408707	/nfs/dbraw/zinc/40/87/07/334408707.db2.gz	XUOMKVPDHIRUEA-KGLIPLIRSA-N	1	0	292.854	4.752	20	30		CJEDRO
C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC(C)(C)CCC#N	ZINC000554071994	334409084	/nfs/dbraw/zinc/40/90/84/334409084.db2.gz	CVPZEQAPNCGSSG-INIZCTEOSA-N	1	0	286.463	4.662	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1C(F)(F)F	ZINC000554073224	334409123	/nfs/dbraw/zinc/40/91/23/334409123.db2.gz	KXWFRYPMNBEQTR-GFCCVEGCSA-N	1	0	298.352	4.686	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc2c(s1)CCCC2	ZINC000554073736	334409428	/nfs/dbraw/zinc/40/94/28/334409428.db2.gz	PMFUYPMFOZYLMO-ZDUSSCGKSA-N	1	0	290.476	4.607	20	30		CJEDRO
CC(C)C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1	ZINC000554074741	334409572	/nfs/dbraw/zinc/40/95/72/334409572.db2.gz	DVFCWADZLUMDIX-HOTGVXAUSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1	ZINC000554074743	334409565	/nfs/dbraw/zinc/40/95/65/334409565.db2.gz	DVFCWADZLUMDIX-JKSUJKDBSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H](CCC1CCCCC1)[NH2+]CC(C)(C)CCC#N	ZINC000554074931	334409564	/nfs/dbraw/zinc/40/95/64/334409564.db2.gz	LGYCYKNBTGZWQI-HNNXBMFYSA-N	1	0	264.457	4.655	20	30		CJEDRO
C[C@H](CCC1CCCCC1)[NH2+]CC(C)(C)CCC#N	ZINC000554074932	334409674	/nfs/dbraw/zinc/40/96/74/334409674.db2.gz	LGYCYKNBTGZWQI-OAHLLOKOSA-N	1	0	264.457	4.655	20	30		CJEDRO
CC(C)C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccs1	ZINC000554077026	334409558	/nfs/dbraw/zinc/40/95/58/334409558.db2.gz	LCZXZVORPXQUQZ-CQSZACIVSA-N	1	0	278.465	4.755	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1	ZINC000554078002	334409781	/nfs/dbraw/zinc/40/97/81/334409781.db2.gz	FPVRYMWXPRAXSC-ROUUACIJSA-N	1	0	284.447	4.632	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1	ZINC000554359852	334424038	/nfs/dbraw/zinc/42/40/38/334424038.db2.gz	WBVHHOLUBOPRMO-ROUUACIJSA-N	1	0	284.447	4.632	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1	ZINC000554359853	334424087	/nfs/dbraw/zinc/42/40/87/334424087.db2.gz	WBVHHOLUBOPRMO-ZWKOTPCHSA-N	1	0	284.447	4.632	20	30		CJEDRO
CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(F)ccc1F	ZINC000554363743	334424815	/nfs/dbraw/zinc/42/48/15/334424815.db2.gz	PYAMPHBUVBMZJL-INIZCTEOSA-N	1	0	294.389	4.581	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(F)ccc1F	ZINC000554363744	327213553	/nfs/dbraw/zinc/21/35/53/327213553.db2.gz	PYAMPHBUVBMZJL-MRXNPFEDSA-N	1	0	294.389	4.581	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1C(C)(C)C	ZINC000554364456	334424769	/nfs/dbraw/zinc/42/47/69/334424769.db2.gz	DHKYBVBNXUAYAZ-OAHLLOKOSA-N	1	0	286.463	4.965	20	30		CJEDRO
CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N	ZINC000554365644	334424820	/nfs/dbraw/zinc/42/48/20/334424820.db2.gz	PVCQTUXQLXKUIU-CVEARBPZSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N	ZINC000554365645	334424862	/nfs/dbraw/zinc/42/48/62/334424862.db2.gz	PVCQTUXQLXKUIU-HOTGVXAUSA-N	1	0	264.457	4.511	20	30		CJEDRO
CC(C)(C)[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(F)c1	ZINC000555614589	334485040	/nfs/dbraw/zinc/48/50/40/334485040.db2.gz	JACRWBHAQBMANB-SFHVURJKSA-N	1	0	296.389	4.574	20	30		CJEDRO
CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCCC#N	ZINC000555670649	334486710	/nfs/dbraw/zinc/48/67/10/334486710.db2.gz	CLDXLPSDNOTTJV-QGZVFWFLSA-N	1	0	292.854	4.581	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H](C)c1sc(C(C)C)nc1C	ZINC000556218418	334500542	/nfs/dbraw/zinc/50/05/42/334500542.db2.gz	UBWXLCOPRFFIHK-LBPRGKRZSA-N	1	0	280.481	4.828	20	30		CJEDRO
C=CC[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1	ZINC000556260298	334504705	/nfs/dbraw/zinc/50/47/05/334504705.db2.gz	ILYFBFXGBWCCSF-NSHDSACASA-N	1	0	292.835	4.518	20	30		CJEDRO
C=CCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1	ZINC000556413657	326940056	/nfs/dbraw/zinc/94/00/56/326940056.db2.gz	JOAZWSPLIPHJBS-UHFFFAOYSA-N	1	0	292.835	4.519	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]CCCCc1ccc(Cl)s1	ZINC000556413829	326940445	/nfs/dbraw/zinc/94/04/45/326940445.db2.gz	MROVZWLWBTZEMQ-UHFFFAOYSA-N	1	0	298.883	4.644	20	30		CJEDRO
CCC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1	ZINC000556611668	326954204	/nfs/dbraw/zinc/95/42/04/326954204.db2.gz	SWKAZOVAKMEEPY-IBGZPJMESA-N	1	0	290.410	4.678	20	30		CJEDRO
CCC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1	ZINC000556611669	326954220	/nfs/dbraw/zinc/95/42/20/326954220.db2.gz	SWKAZOVAKMEEPY-LJQANCHMSA-N	1	0	290.410	4.678	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCc1ccc(OC)cc1)c1ccco1	ZINC000556858800	326973579	/nfs/dbraw/zinc/97/35/79/326973579.db2.gz	IWLDGZHDNFZKNI-GOSISDBHSA-N	1	0	299.414	4.518	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccco1	ZINC000556874886	326976707	/nfs/dbraw/zinc/97/67/07/326976707.db2.gz	DZXJHVVNFOFUOD-OAHLLOKOSA-N	1	0	275.779	4.730	20	30		CJEDRO
C=CCC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccco1	ZINC000556887458	326978164	/nfs/dbraw/zinc/97/81/64/326978164.db2.gz	WNUHEXQHTQSGJK-BZSNNMDCSA-N	1	0	281.399	4.823	20	30		CJEDRO
C=CCC[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccco1	ZINC000556887459	326978254	/nfs/dbraw/zinc/97/82/54/326978254.db2.gz	WNUHEXQHTQSGJK-KZNAEPCWSA-N	1	0	281.399	4.823	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc2[nH]c(C)cc2c1)c1ccco1	ZINC000556898053	326980606	/nfs/dbraw/zinc/98/06/06/326980606.db2.gz	SVMIUXFVXQHJCY-GOSISDBHSA-N	1	0	294.398	4.866	20	30		CJEDRO
CC1=CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000556907856	326981573	/nfs/dbraw/zinc/98/15/73/326981573.db2.gz	CFGWSFBRMAXSRI-QZTJIDSGSA-N	1	0	268.404	4.510	20	30		CJEDRO
CC1=CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000556907858	326981665	/nfs/dbraw/zinc/98/16/65/326981665.db2.gz	CFGWSFBRMAXSRI-ZWKOTPCHSA-N	1	0	268.404	4.510	20	30		CJEDRO
C[C@@H](C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000556908178	326981508	/nfs/dbraw/zinc/98/15/08/326981508.db2.gz	LBIGODTWXLMGRY-FXAWDEMLSA-N	1	0	292.426	4.815	20	30		CJEDRO
C[C@@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000556908179	326981697	/nfs/dbraw/zinc/98/16/97/326981697.db2.gz	LBIGODTWXLMGRY-PXNSSMCTSA-N	1	0	292.426	4.815	20	30		CJEDRO
C[C@H](C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1	ZINC000556908180	326981578	/nfs/dbraw/zinc/98/15/78/326981578.db2.gz	LBIGODTWXLMGRY-XLIONFOSSA-N	1	0	292.426	4.815	20	30		CJEDRO
C[C@@H]1CCCC[C@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000556908800	326981663	/nfs/dbraw/zinc/98/16/63/326981663.db2.gz	WBEMQOOPOZWWDV-NEWSRXKRSA-N	1	0	284.447	4.837	20	30		CJEDRO
C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000556908804	326981644	/nfs/dbraw/zinc/98/16/44/326981644.db2.gz	WBEMQOOPOZWWDV-QRQLOZEOSA-N	1	0	284.447	4.837	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccccc1	ZINC000557265735	326999339	/nfs/dbraw/zinc/99/93/39/326999339.db2.gz	MNYLRGCADCEZLF-IBGZPJMESA-N	1	0	295.426	4.801	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)c1ccccc1	ZINC000557265736	326999428	/nfs/dbraw/zinc/99/94/28/326999428.db2.gz	MNYLRGCADCEZLF-LJQANCHMSA-N	1	0	295.426	4.801	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1ccccc1	ZINC000557276687	327000095	/nfs/dbraw/zinc/00/00/95/327000095.db2.gz	LYLXKUAXQAXEHQ-IBGZPJMESA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+]Cc1csc(-c2ccco2)n1	ZINC000557285106	327000351	/nfs/dbraw/zinc/00/03/51/327000351.db2.gz	BBDOTTWIBKJEQK-CYBMUJFWSA-N	1	0	290.432	4.628	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+]Cc1csc(-c2ccco2)n1	ZINC000557285107	327000316	/nfs/dbraw/zinc/00/03/16/327000316.db2.gz	BBDOTTWIBKJEQK-ZDUSSCGKSA-N	1	0	290.432	4.628	20	30		CJEDRO
C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C2CC2)c1	ZINC000557332796	327001939	/nfs/dbraw/zinc/00/19/39/327001939.db2.gz	ITNJEULXCDTIPQ-FHERZECASA-N	1	0	282.431	4.545	20	30		CJEDRO
C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C2CC2)c1	ZINC000557332839	327001985	/nfs/dbraw/zinc/00/19/85/327001985.db2.gz	ITNJEULXCDTIPQ-QQFBHYJXSA-N	1	0	282.431	4.545	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C	ZINC000557384532	327004054	/nfs/dbraw/zinc/00/40/54/327004054.db2.gz	UOPUADLJQABLKT-CABCVRRESA-N	1	0	291.483	4.732	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C	ZINC000557384533	327004030	/nfs/dbraw/zinc/00/40/30/327004030.db2.gz	UOPUADLJQABLKT-GJZGRUSLSA-N	1	0	291.483	4.732	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C	ZINC000557384534	327004039	/nfs/dbraw/zinc/00/40/39/327004039.db2.gz	UOPUADLJQABLKT-HUUCEWRRSA-N	1	0	291.483	4.732	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C	ZINC000557384535	327003986	/nfs/dbraw/zinc/00/39/86/327003986.db2.gz	UOPUADLJQABLKT-LSDHHAIUSA-N	1	0	291.483	4.732	20	30		CJEDRO
Cc1ccc(C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1	ZINC000557703408	327021605	/nfs/dbraw/zinc/02/16/05/327021605.db2.gz	FCSKUQXCDCRJOX-IBGZPJMESA-N	1	0	298.474	4.580	20	30		CJEDRO
Cc1ccc(C[C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)cc1	ZINC000557703412	327021612	/nfs/dbraw/zinc/02/16/12/327021612.db2.gz	FCSKUQXCDCRJOX-LJQANCHMSA-N	1	0	298.474	4.580	20	30		CJEDRO
C=CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1	ZINC000557886565	327034129	/nfs/dbraw/zinc/03/41/29/327034129.db2.gz	IYANOHDKPILSBI-HNNXBMFYSA-N	1	0	284.403	4.566	20	30		CJEDRO
C=CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1	ZINC000557886567	327034024	/nfs/dbraw/zinc/03/40/24/327034024.db2.gz	IYANOHDKPILSBI-OAHLLOKOSA-N	1	0	284.403	4.566	20	30		CJEDRO
C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1cccc(F)c1	ZINC000557922894	327035330	/nfs/dbraw/zinc/03/53/30/327035330.db2.gz	GPNPGTPJHVGQHI-HNNXBMFYSA-N	1	0	269.363	4.575	20	30		CJEDRO
C=CC[N@H+](Cc1ccccc1)[C@H](C)c1cccc(F)c1	ZINC000557922895	327035427	/nfs/dbraw/zinc/03/54/27/327035427.db2.gz	GPNPGTPJHVGQHI-OAHLLOKOSA-N	1	0	269.363	4.575	20	30		CJEDRO
C=CC[N@H+](Cc1ccccc1F)[C@@H](C)c1ccccc1	ZINC000557922934	327035411	/nfs/dbraw/zinc/03/54/11/327035411.db2.gz	DDNZQNUQDOHVTQ-HNNXBMFYSA-N	1	0	269.363	4.575	20	30		CJEDRO
C=CC[N@H+](Cc1ccccc1F)[C@H](C)c1ccccc1	ZINC000557922935	327035300	/nfs/dbraw/zinc/03/53/00/327035300.db2.gz	DDNZQNUQDOHVTQ-OAHLLOKOSA-N	1	0	269.363	4.575	20	30		CJEDRO
CC(C)Sc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1	ZINC000557991251	327039275	/nfs/dbraw/zinc/03/92/75/327039275.db2.gz	SJUVZFUPHKVJRZ-AWEZNQCLSA-N	1	0	290.476	4.778	20	30		CJEDRO
CC(C)Sc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1	ZINC000557991257	327039508	/nfs/dbraw/zinc/03/95/08/327039508.db2.gz	SJUVZFUPHKVJRZ-CQSZACIVSA-N	1	0	290.476	4.778	20	30		CJEDRO
C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000558079805	327061679	/nfs/dbraw/zinc/06/16/79/327061679.db2.gz	FOZGKMOFSFVLLV-CYBMUJFWSA-N	1	0	296.801	4.552	20	30		CJEDRO
C[C@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1	ZINC000558079810	327061586	/nfs/dbraw/zinc/06/15/86/327061586.db2.gz	FOZGKMOFSFVLLV-ZDUSSCGKSA-N	1	0	296.801	4.552	20	30		CJEDRO
Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCC(C)(C)C#N	ZINC000558116463	327074714	/nfs/dbraw/zinc/07/47/14/327074714.db2.gz	IVFFQDGIEBCMJL-AWEZNQCLSA-N	1	0	298.352	4.518	20	30		CJEDRO
Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCC(C)(C)C#N	ZINC000558116471	327074641	/nfs/dbraw/zinc/07/46/41/327074641.db2.gz	IVFFQDGIEBCMJL-CQSZACIVSA-N	1	0	298.352	4.518	20	30		CJEDRO
CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)s1	ZINC000558239097	327080908	/nfs/dbraw/zinc/08/09/08/327080908.db2.gz	YTOIKISXRMONGH-LLVKDONJSA-N	1	0	284.856	4.772	20	30		CJEDRO
CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)s1	ZINC000558239101	327080848	/nfs/dbraw/zinc/08/08/48/327080848.db2.gz	YTOIKISXRMONGH-NSHDSACASA-N	1	0	284.856	4.772	20	30		CJEDRO
C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000558244222	327081281	/nfs/dbraw/zinc/08/12/81/327081281.db2.gz	RMSJDBNLTGDEGP-AAVRWANBSA-N	1	0	277.374	4.545	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000558244223	327081271	/nfs/dbraw/zinc/08/12/71/327081271.db2.gz	RMSJDBNLTGDEGP-IGQOVBAYSA-N	1	0	277.374	4.545	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000558244224	327081301	/nfs/dbraw/zinc/08/13/01/327081301.db2.gz	RMSJDBNLTGDEGP-REWJHTLYSA-N	1	0	277.374	4.545	20	30		CJEDRO
C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000558244225	327081220	/nfs/dbraw/zinc/08/12/20/327081220.db2.gz	RMSJDBNLTGDEGP-XJFOESAGSA-N	1	0	277.374	4.545	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F)C1CC1	ZINC000558245913	327081292	/nfs/dbraw/zinc/08/12/92/327081292.db2.gz	LNUYFNFNQSQIFL-RBSFLKMASA-N	1	0	289.385	4.690	20	30		CJEDRO
Cc1ccc([C@@H]([NH2+]CC(C)(C)CCC#N)C2CCCC2)o1	ZINC000558246262	327081160	/nfs/dbraw/zinc/08/11/60/327081160.db2.gz	MVGSTBIHEFXFCF-KRWDZBQOSA-N	1	0	288.435	4.739	20	30		CJEDRO
Cc1ccc([C@H]([NH2+]CC(C)(C)CCC#N)C2CCCC2)o1	ZINC000558246263	327081106	/nfs/dbraw/zinc/08/11/06/327081106.db2.gz	MVGSTBIHEFXFCF-QGZVFWFLSA-N	1	0	288.435	4.739	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1Cl	ZINC000558246801	327081439	/nfs/dbraw/zinc/08/14/39/327081439.db2.gz	MQCNUPJBWQQOAL-LLVKDONJSA-N	1	0	299.245	4.974	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(Cl)c1Cl	ZINC000558246806	327081406	/nfs/dbraw/zinc/08/14/06/327081406.db2.gz	MQCNUPJBWQQOAL-NSHDSACASA-N	1	0	299.245	4.974	20	30		CJEDRO
CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000558247167	327081445	/nfs/dbraw/zinc/08/14/45/327081445.db2.gz	SCRVIFPHXMUVSB-MSOLQXFVSA-N	1	0	284.447	4.791	20	30		CJEDRO
CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000558247170	327081421	/nfs/dbraw/zinc/08/14/21/327081421.db2.gz	SCRVIFPHXMUVSB-ROUUACIJSA-N	1	0	284.447	4.791	20	30		CJEDRO
CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21	ZINC000558247173	327081444	/nfs/dbraw/zinc/08/14/44/327081444.db2.gz	SCRVIFPHXMUVSB-ZWKOTPCHSA-N	1	0	284.447	4.791	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1CC(c2ccc(Cl)cc2)C1	ZINC000558247561	327081402	/nfs/dbraw/zinc/08/14/02/327081402.db2.gz	QLRGMSBGBYXPOV-UHFFFAOYSA-N	1	0	290.838	4.506	20	30		CJEDRO
CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)c(F)c1	ZINC000558248530	327081456	/nfs/dbraw/zinc/08/14/56/327081456.db2.gz	WNYLQVZCPPMSRS-INIZCTEOSA-N	1	0	294.389	4.581	20	30		CJEDRO
CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)c(F)c1	ZINC000558248535	327081376	/nfs/dbraw/zinc/08/13/76/327081376.db2.gz	WNYLQVZCPPMSRS-MRXNPFEDSA-N	1	0	294.389	4.581	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCCc2ccc(Cl)cc21	ZINC000558249060	327081296	/nfs/dbraw/zinc/08/12/96/327081296.db2.gz	WVAXUTCWIQSXHN-INIZCTEOSA-N	1	0	290.838	4.637	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2ccc(Cl)cc21	ZINC000558249061	327081150	/nfs/dbraw/zinc/08/11/50/327081150.db2.gz	WVAXUTCWIQSXHN-MRXNPFEDSA-N	1	0	290.838	4.637	20	30		CJEDRO
C=CCCCCC[N@@H+](C)Cc1cc(-c2cccs2)on1	ZINC000558461923	327095926	/nfs/dbraw/zinc/09/59/26/327095926.db2.gz	QHGFPGSDQRMMBH-UHFFFAOYSA-N	1	0	290.432	4.581	20	30		CJEDRO
C=CCC[N@@H+](CC)C(c1ccccc1)c1ccccc1	ZINC000558471392	327096672	/nfs/dbraw/zinc/09/66/72/327096672.db2.gz	RBKYUGMKYJKCBQ-UHFFFAOYSA-N	1	0	265.400	4.674	20	30		CJEDRO
C=CCCCCC[NH2+][C@@H](CC(C)C)c1ccccn1	ZINC000558995553	327137435	/nfs/dbraw/zinc/13/74/35/327137435.db2.gz	NCNPZKXPIUCGAK-KRWDZBQOSA-N	1	0	260.425	4.505	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](CC(C)C)c1ccccn1	ZINC000558995559	327137438	/nfs/dbraw/zinc/13/74/38/327137438.db2.gz	NCNPZKXPIUCGAK-QGZVFWFLSA-N	1	0	260.425	4.505	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1ccccc1	ZINC000559282181	327154319	/nfs/dbraw/zinc/15/43/19/327154319.db2.gz	IJOFPNDVTVBBFI-IBGZPJMESA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1ccccc1	ZINC000559282182	327154265	/nfs/dbraw/zinc/15/42/65/327154265.db2.gz	IJOFPNDVTVBBFI-LJQANCHMSA-N	1	0	299.389	4.631	20	30		CJEDRO
C=C(C)[C@H]([NH2+]Cc1ccsc1C)c1ccc(F)c(F)c1	ZINC000559294585	327155719	/nfs/dbraw/zinc/15/57/19/327155719.db2.gz	RJJIMFGIBUCELJ-INIZCTEOSA-N	1	0	293.382	4.742	20	30		CJEDRO
C=C(C)[C@@H]([NH2+]Cc1ccsc1C)c1ccc(F)c(F)c1	ZINC000559294588	327155818	/nfs/dbraw/zinc/15/58/18/327155818.db2.gz	RJJIMFGIBUCELJ-MRXNPFEDSA-N	1	0	293.382	4.742	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1csc(-c2cccs2)n1	ZINC000559306977	327157153	/nfs/dbraw/zinc/15/71/53/327157153.db2.gz	OJJNTOVMBXKYKV-UHFFFAOYSA-N	1	0	292.473	4.564	20	30		CJEDRO
Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Cl	ZINC000559326029	327159788	/nfs/dbraw/zinc/15/97/88/327159788.db2.gz	AGWLJSLVJUEEIA-UHFFFAOYSA-N	1	0	298.817	4.545	20	30		CJEDRO
CCCC[N@H+](CCCC(C)(C)C#N)C1CCCCC1	ZINC000559479813	327248209	/nfs/dbraw/zinc/24/82/09/327248209.db2.gz	OEZUUQMZJCAMGI-UHFFFAOYSA-N	1	0	264.457	4.751	20	30		CJEDRO
N#CCC1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1	ZINC000559842219	327264416	/nfs/dbraw/zinc/26/44/16/327264416.db2.gz	WPLQWSWPQLIKBW-UHFFFAOYSA-N	1	0	296.439	4.541	20	30		CJEDRO
C[C@H](Cc1ccsc1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000559858407	327265634	/nfs/dbraw/zinc/26/56/34/327265634.db2.gz	IXFHKAQVIGRQNH-CRAIPNDOSA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@@H](Cc1ccsc1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000559858417	327265549	/nfs/dbraw/zinc/26/55/49/327265549.db2.gz	IXFHKAQVIGRQNH-MAUKXSAKSA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@H](Cc1ccsc1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000559858418	327265608	/nfs/dbraw/zinc/26/56/08/327265608.db2.gz	IXFHKAQVIGRQNH-QAPCUYQASA-N	1	0	298.455	4.704	20	30		CJEDRO
C[C@@H](Cc1ccsc1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000559858420	327265550	/nfs/dbraw/zinc/26/55/50/327265550.db2.gz	IXFHKAQVIGRQNH-YJBOKZPZSA-N	1	0	298.455	4.704	20	30		CJEDRO
CCCC(CCC)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000559860426	327265605	/nfs/dbraw/zinc/26/56/05/327265605.db2.gz	UKLYLVZDMRUWDC-GOSISDBHSA-N	1	0	272.436	4.980	20	30		CJEDRO
CCCC(CCC)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000559860427	327265535	/nfs/dbraw/zinc/26/55/35/327265535.db2.gz	UKLYLVZDMRUWDC-SFHVURJKSA-N	1	0	272.436	4.980	20	30		CJEDRO
C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCCC#N	ZINC000559896037	327269397	/nfs/dbraw/zinc/26/93/97/327269397.db2.gz	WISAYHVNAYCFAY-HNNXBMFYSA-N	1	0	297.446	4.508	20	30		CJEDRO
C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCCCC#N	ZINC000559896038	327269455	/nfs/dbraw/zinc/26/94/55/327269455.db2.gz	WISAYHVNAYCFAY-OAHLLOKOSA-N	1	0	297.446	4.508	20	30		CJEDRO
C=CCC[C@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1	ZINC000559918753	327271055	/nfs/dbraw/zinc/27/10/55/327271055.db2.gz	ILBVFGCUMFKCND-IHRRRGAJSA-N	1	0	263.812	4.530	20	30		CJEDRO
C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1	ZINC000559918763	327271150	/nfs/dbraw/zinc/27/11/50/327271150.db2.gz	ILBVFGCUMFKCND-MGPQQGTHSA-N	1	0	263.812	4.530	20	30		CJEDRO
N#CCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1	ZINC000560050299	327280978	/nfs/dbraw/zinc/28/09/78/327280978.db2.gz	ILWLOQSNVCOYSU-UHFFFAOYSA-N	1	0	298.817	4.790	20	30		CJEDRO
Cc1cc(C[NH2+]C(C)(C)c2ccc(Cl)cc2)ccc1C#N	ZINC000560070144	327282579	/nfs/dbraw/zinc/28/25/79/327282579.db2.gz	CMMJCTDAQMYAKR-UHFFFAOYSA-N	1	0	298.817	4.545	20	30		CJEDRO
Cc1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C	ZINC000560259757	327294168	/nfs/dbraw/zinc/29/41/68/327294168.db2.gz	FYXZQIYCJSRJQQ-INIZCTEOSA-N	1	0	290.410	4.515	20	30		CJEDRO
Cc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1C	ZINC000560259758	327294186	/nfs/dbraw/zinc/29/41/86/327294186.db2.gz	FYXZQIYCJSRJQQ-MRXNPFEDSA-N	1	0	290.410	4.515	20	30		CJEDRO
CC(C)N(CCC#N)Cc1ccc(-c2ccccc2)s1	ZINC000560463067	327310936	/nfs/dbraw/zinc/31/09/36/327310936.db2.gz	WLFGJSCGVBHQDQ-UHFFFAOYSA-N	1	0	284.428	4.539	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1CC(c2ccccc2Cl)C1	ZINC000560524729	327318452	/nfs/dbraw/zinc/31/84/52/327318452.db2.gz	MLFSGARQNXFDSZ-UHFFFAOYSA-N	1	0	290.838	4.506	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(NCCC)cc1)c1ccco1	ZINC000560538583	327321381	/nfs/dbraw/zinc/32/13/81/327321381.db2.gz	LWGCVTYDNIDUJV-GOSISDBHSA-N	1	0	298.430	4.899	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(NCCC)cc1)c1ccco1	ZINC000560538585	327321336	/nfs/dbraw/zinc/32/13/36/327321336.db2.gz	LWGCVTYDNIDUJV-SFHVURJKSA-N	1	0	298.430	4.899	20	30		CJEDRO
C=CCC[C@@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1ccco1	ZINC000560553200	327323872	/nfs/dbraw/zinc/32/38/72/327323872.db2.gz	MRKTYKMWBGKMKE-GOSISDBHSA-N	1	0	298.430	4.769	20	30		CJEDRO
C=CCC[C@H](Nc1cc(C)cc(C[NH+](C)C)c1)c1ccco1	ZINC000560553201	327323894	/nfs/dbraw/zinc/32/38/94/327323894.db2.gz	MRKTYKMWBGKMKE-SFHVURJKSA-N	1	0	298.430	4.769	20	30		CJEDRO
Cc1nc(C(C)C)ccc1CSc1cccc(C#N)c1	ZINC000560991106	327356982	/nfs/dbraw/zinc/35/69/82/327356982.db2.gz	UIUAYEULUVPWJU-UHFFFAOYSA-N	1	0	282.412	4.677	20	30		CJEDRO
CC[N@H+](CCCCC#N)C(c1ccccc1)c1ccccc1	ZINC000560992608	327357027	/nfs/dbraw/zinc/35/70/27/327357027.db2.gz	CCXZVEUAGTUUEO-UHFFFAOYSA-N	1	0	292.426	4.792	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1csc(-c2ccsc2)n1	ZINC000561053218	327361297	/nfs/dbraw/zinc/36/12/97/327361297.db2.gz	PKSLIOKYUZKUBO-UHFFFAOYSA-N	1	0	292.473	4.564	20	30		CJEDRO
CC(C)(C)C1CCC([NH2+]CC(C)(C)CCC#N)CC1	ZINC000561445251	327395759	/nfs/dbraw/zinc/39/57/59/327395759.db2.gz	JUHMEAIJHZKVOQ-UHFFFAOYSA-N	1	0	264.457	4.511	20	30		CJEDRO
C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)c2ccccc21	ZINC000561788161	327422274	/nfs/dbraw/zinc/42/22/74/327422274.db2.gz	SYHLOSQECYOQAH-CYBMUJFWSA-N	1	0	284.378	4.569	20	30		CJEDRO
C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(F)c2ccccc21	ZINC000561788170	327422219	/nfs/dbraw/zinc/42/22/19/327422219.db2.gz	SYHLOSQECYOQAH-ZDUSSCGKSA-N	1	0	284.378	4.569	20	30		CJEDRO
CCCC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1	ZINC000562035406	327441348	/nfs/dbraw/zinc/44/13/48/327441348.db2.gz	NIUFXKJVECORSI-KRWDZBQOSA-N	1	0	272.436	4.837	20	30		CJEDRO
CCCC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1	ZINC000562035407	327441356	/nfs/dbraw/zinc/44/13/56/327441356.db2.gz	NIUFXKJVECORSI-QGZVFWFLSA-N	1	0	272.436	4.837	20	30		CJEDRO
C[C@H](CCc1ccc(Cl)s1)[NH2+]CC(C)(C)CCC#N	ZINC000562042495	327442859	/nfs/dbraw/zinc/44/28/59/327442859.db2.gz	BIJXUMJWZIIFHM-GFCCVEGCSA-N	1	0	298.883	4.642	20	30		CJEDRO
C[C@@H](CCc1ccc(Cl)s1)[NH2+]CC(C)(C)CCC#N	ZINC000562042496	327442759	/nfs/dbraw/zinc/44/27/59/327442759.db2.gz	BIJXUMJWZIIFHM-LBPRGKRZSA-N	1	0	298.883	4.642	20	30		CJEDRO
CC(C)[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CCC#N	ZINC000562044428	327443048	/nfs/dbraw/zinc/44/30/48/327443048.db2.gz	CTPNXSOVCKGTBF-SFHVURJKSA-N	1	0	286.463	4.563	20	30		CJEDRO
Cc1c2ccccc2oc1[C@H](C)[NH2+]CC(C)(C)CCC#N	ZINC000562045426	327442203	/nfs/dbraw/zinc/44/22/03/327442203.db2.gz	MXQNLWMVXHTSPN-AWEZNQCLSA-N	1	0	284.403	4.722	20	30		CJEDRO
Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC(C)(C)CCC#N	ZINC000562045428	327442233	/nfs/dbraw/zinc/44/22/33/327442233.db2.gz	MXQNLWMVXHTSPN-CQSZACIVSA-N	1	0	284.403	4.722	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]C1c2ccccc2-c2ccccc21	ZINC000562046642	327442327	/nfs/dbraw/zinc/44/23/27/327442327.db2.gz	JOBJMEMQTGJYJG-UHFFFAOYSA-N	1	0	290.410	4.676	20	30		CJEDRO
CCC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1	ZINC000562096258	327449179	/nfs/dbraw/zinc/44/91/79/327449179.db2.gz	QARZPVTXQPCLGE-VQTJNVASSA-N	1	0	290.410	4.677	20	30		CJEDRO
C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl	ZINC000562102722	327449787	/nfs/dbraw/zinc/44/97/87/327449787.db2.gz	JSUQJYSSQZUJQU-XIKOKIGWSA-N	1	0	296.801	4.550	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1ccc(OCC=C)cc1)c1ccco1	ZINC000564066945	329665377	/nfs/dbraw/zinc/66/53/77/329665377.db2.gz	GJDJSSDFVLAAND-GOSISDBHSA-N	1	0	297.398	4.642	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1ccc(OCC=C)cc1)c1ccco1	ZINC000564066946	329665340	/nfs/dbraw/zinc/66/53/40/329665340.db2.gz	GJDJSSDFVLAAND-SFHVURJKSA-N	1	0	297.398	4.642	20	30		CJEDRO
CCCC1CCC(C[NH2+]CC(C)(C)CCC#N)CC1	ZINC000564116097	329676116	/nfs/dbraw/zinc/67/61/16/329676116.db2.gz	ZRTFQYCQPDEDKV-UHFFFAOYSA-N	1	0	264.457	4.512	20	30		CJEDRO
CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1	ZINC000564141081	330372420	/nfs/dbraw/zinc/37/24/20/330372420.db2.gz	QWXMNILFBFYFND-INIZCTEOSA-N	1	0	292.426	4.727	20	30		CJEDRO
CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1	ZINC000564141082	330372490	/nfs/dbraw/zinc/37/24/90/330372490.db2.gz	QWXMNILFBFYFND-MRXNPFEDSA-N	1	0	292.426	4.727	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000564439673	327027511	/nfs/dbraw/zinc/02/75/11/327027511.db2.gz	TZTXYKBXOHYAAZ-CVEARBPZSA-N	1	0	299.380	4.742	20	30		CJEDRO
C=CCC[C@H](CC)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F	ZINC000564439681	327027575	/nfs/dbraw/zinc/02/75/75/327027575.db2.gz	TZTXYKBXOHYAAZ-HOTGVXAUSA-N	1	0	299.380	4.742	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000564439685	327027622	/nfs/dbraw/zinc/02/76/22/327027622.db2.gz	TZTXYKBXOHYAAZ-HZPDHXFCSA-N	1	0	299.380	4.742	20	30		CJEDRO
C=CCC[C@@H](CC)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F	ZINC000564439686	327027612	/nfs/dbraw/zinc/02/76/12/327027612.db2.gz	TZTXYKBXOHYAAZ-JKSUJKDBSA-N	1	0	299.380	4.742	20	30		CJEDRO
CC(C)(C)[C@H](CCC1CCCC1)[NH2+]CCCCC#N	ZINC000565561496	334574511	/nfs/dbraw/zinc/57/45/11/334574511.db2.gz	NDKVUVRJDAKXCE-INIZCTEOSA-N	1	0	264.457	4.655	20	30		CJEDRO
CC[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(C#N)cc1	ZINC000565872862	334604940	/nfs/dbraw/zinc/60/49/40/334604940.db2.gz	LINKLIDRDIKOGG-GOSISDBHSA-N	1	0	290.366	4.545	20	30		CJEDRO
CCSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CCC#N	ZINC000566578917	334656413	/nfs/dbraw/zinc/65/64/13/334656413.db2.gz	HWNYEBGRJFBOIT-CQSZACIVSA-N	1	0	290.476	4.779	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccco1	ZINC000566753551	334663103	/nfs/dbraw/zinc/66/31/03/334663103.db2.gz	HSXUNZBUBLOKCT-MSOLQXFVSA-N	1	0	298.430	4.711	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@@H](c1cccnc1)C(C)C)c1ccco1	ZINC000566753552	334663145	/nfs/dbraw/zinc/66/31/45/334663145.db2.gz	HSXUNZBUBLOKCT-QZTJIDSGSA-N	1	0	298.430	4.711	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccco1	ZINC000566753553	334663136	/nfs/dbraw/zinc/66/31/36/334663136.db2.gz	HSXUNZBUBLOKCT-ROUUACIJSA-N	1	0	298.430	4.711	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C[C@H](c1cccnc1)C(C)C)c1ccco1	ZINC000566753554	334663129	/nfs/dbraw/zinc/66/31/29/334663129.db2.gz	HSXUNZBUBLOKCT-ZWKOTPCHSA-N	1	0	298.430	4.711	20	30		CJEDRO
Cc1ccc2cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)oc2c1	ZINC000567134427	334684082	/nfs/dbraw/zinc/68/40/82/334684082.db2.gz	PWTHHXSPTVJEPT-CQSZACIVSA-N	1	0	284.403	4.722	20	30		CJEDRO
CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(CC#N)cc2)cc1	ZINC000567470862	334723061	/nfs/dbraw/zinc/72/30/61/334723061.db2.gz	RWZJYIYCVSECFE-HXUWFJFHSA-N	1	0	292.426	4.556	20	30		CJEDRO
CCC[C@H](CCc1ccccc1)[NH2+]CC(C)(C)CCC#N	ZINC000568614188	334832538	/nfs/dbraw/zinc/83/25/38/334832538.db2.gz	VTSNOYFFEDZHJL-GOSISDBHSA-N	1	0	286.463	4.707	20	30		CJEDRO
CCC[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)CCC#N	ZINC000568614193	334832541	/nfs/dbraw/zinc/83/25/41/334832541.db2.gz	VTSNOYFFEDZHJL-SFHVURJKSA-N	1	0	286.463	4.707	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)c1ccc(C#N)cc1	ZINC000569193477	334860652	/nfs/dbraw/zinc/86/06/52/334860652.db2.gz	PMSXTTHQEOQVHG-UXHICEINSA-N	1	0	290.410	4.595	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)c1ccc(C#N)cc1	ZINC000569193479	334860600	/nfs/dbraw/zinc/86/06/00/334860600.db2.gz	PMSXTTHQEOQVHG-VQTJNVASSA-N	1	0	290.410	4.595	20	30		CJEDRO
C[C@H](CCc1ccco1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000569751960	327544810	/nfs/dbraw/zinc/54/48/10/327544810.db2.gz	XJOJYPAZHRLRPT-APWZRJJASA-N	1	0	296.414	4.625	20	30		CJEDRO
C[C@@H](CCc1ccco1)[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000569751961	327544825	/nfs/dbraw/zinc/54/48/25/327544825.db2.gz	XJOJYPAZHRLRPT-LPHOPBHVSA-N	1	0	296.414	4.625	20	30		CJEDRO
C[C@@H](CCc1ccco1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000569751962	327544813	/nfs/dbraw/zinc/54/48/13/327544813.db2.gz	XJOJYPAZHRLRPT-QFBILLFUSA-N	1	0	296.414	4.625	20	30		CJEDRO
C[C@H](CCc1ccco1)[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000569751963	327544975	/nfs/dbraw/zinc/54/49/75/327544975.db2.gz	XJOJYPAZHRLRPT-VQIMIIECSA-N	1	0	296.414	4.625	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]Cc1cccc(-c2ccccc2)c1	ZINC000569763314	327545788	/nfs/dbraw/zinc/54/57/88/327545788.db2.gz	XQURSCXHAXPCOP-UHFFFAOYSA-N	1	0	292.426	4.773	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(C#N)cc1	ZINC000569897388	327554422	/nfs/dbraw/zinc/55/44/22/327554422.db2.gz	NYJNIFLSDUAIJQ-BVGQSLNGSA-N	1	0	294.398	4.516	20	30		CJEDRO
CC[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(C#N)cc1	ZINC000569897393	327554390	/nfs/dbraw/zinc/55/43/90/327554390.db2.gz	NYJNIFLSDUAIJQ-XWIAVFTESA-N	1	0	294.398	4.516	20	30		CJEDRO
CC(C)C[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1	ZINC000570084094	327568477	/nfs/dbraw/zinc/56/84/77/327568477.db2.gz	AAPJLGNQGWJFIM-GOSISDBHSA-N	1	0	286.463	4.736	20	30		CJEDRO
C[C@@H](C[NH2+]CC(C)(C)CCC#N)CC1CCCCC1	ZINC000570195843	327575613	/nfs/dbraw/zinc/57/56/13/327575613.db2.gz	XPLBRPOYSIHQGP-OAHLLOKOSA-N	1	0	264.457	4.512	20	30		CJEDRO
C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2sccc21	ZINC000570331668	327583303	/nfs/dbraw/zinc/58/33/03/327583303.db2.gz	JWHOYFLGYCYXPU-DYVFJYSZSA-N	1	0	296.439	4.542	20	30		CJEDRO
C[C@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2sccc21	ZINC000570331669	327583347	/nfs/dbraw/zinc/58/33/47/327583347.db2.gz	JWHOYFLGYCYXPU-GUYCJALGSA-N	1	0	296.439	4.542	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1ccccc1	ZINC000570851832	327626828	/nfs/dbraw/zinc/62/68/28/327626828.db2.gz	NALHOMGUXHTCRU-GOSISDBHSA-N	1	0	299.389	4.631	20	30		CJEDRO
CC(C)CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccoc1	ZINC000571045930	327984163	/nfs/dbraw/zinc/98/41/63/327984163.db2.gz	PPPNBQIUUBUBSJ-IBGZPJMESA-N	1	0	296.414	4.613	20	30		CJEDRO
CC(C)=CCC[C@H](C)CC[NH2+]CC(C)(C)CCC#N	ZINC000571091420	328084911	/nfs/dbraw/zinc/08/49/11/328084911.db2.gz	VMDJKUWIENIOKB-INIZCTEOSA-N	1	0	264.457	4.679	20	30		CJEDRO
CC(C)=CCC[C@@H](C)CC[NH2+]CC(C)(C)CCC#N	ZINC000571091421	328084953	/nfs/dbraw/zinc/08/49/53/328084953.db2.gz	VMDJKUWIENIOKB-MRXNPFEDSA-N	1	0	264.457	4.679	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21	ZINC000571154485	328088944	/nfs/dbraw/zinc/08/89/44/328088944.db2.gz	QIAAXJGOLYNGRD-CABCVRRESA-N	1	0	268.404	4.630	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21	ZINC000571154486	328088900	/nfs/dbraw/zinc/08/89/00/328088900.db2.gz	QIAAXJGOLYNGRD-GJZGRUSLSA-N	1	0	268.404	4.630	20	30		CJEDRO
C=CCCC[C@@H](C)[NH2+][C@H](C)c1nccc2ccccc21	ZINC000571154487	328088952	/nfs/dbraw/zinc/08/89/52/328088952.db2.gz	QIAAXJGOLYNGRD-HUUCEWRRSA-N	1	0	268.404	4.630	20	30		CJEDRO
C=CCCC[C@H](C)[NH2+][C@H](C)c1nccc2ccccc21	ZINC000571154488	328089027	/nfs/dbraw/zinc/08/90/27/328089027.db2.gz	QIAAXJGOLYNGRD-LSDHHAIUSA-N	1	0	268.404	4.630	20	30		CJEDRO
CCCc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1	ZINC000571234466	328094266	/nfs/dbraw/zinc/09/42/66/328094266.db2.gz	OGERQULXPPODSA-HNNXBMFYSA-N	1	0	272.436	4.620	20	30		CJEDRO
CCCc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1	ZINC000571234473	328094083	/nfs/dbraw/zinc/09/40/83/328094083.db2.gz	OGERQULXPPODSA-OAHLLOKOSA-N	1	0	272.436	4.620	20	30		CJEDRO
Cc1ccc(-c2ccc(C[NH2+]CC(C)(C)CCC#N)o2)cc1	ZINC000571360354	328116202	/nfs/dbraw/zinc/11/62/02/328116202.db2.gz	XDCLPUVPKLTFQR-UHFFFAOYSA-N	1	0	296.414	4.675	20	30		CJEDRO
N#CCC1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1	ZINC000571512940	328129909	/nfs/dbraw/zinc/12/99/09/328129909.db2.gz	VQERBSWXJPVNTK-UHFFFAOYSA-N	1	0	298.817	4.619	20	30		CJEDRO
C=CCC[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1	ZINC000572183960	329952828	/nfs/dbraw/zinc/95/28/28/329952828.db2.gz	MDGMIEDNZBGZSF-GPJFCIFZSA-N	1	0	299.458	4.775	20	30		CJEDRO
C=CCC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1	ZINC000572183965	329952980	/nfs/dbraw/zinc/95/29/80/329952980.db2.gz	MDGMIEDNZBGZSF-IOJLRTSASA-N	1	0	299.458	4.775	20	30		CJEDRO
C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(F)c2ccccc21	ZINC000573012669	334900683	/nfs/dbraw/zinc/90/06/83/334900683.db2.gz	PBKYJJIPCAJWSU-CQSZACIVSA-N	1	0	298.405	4.959	20	30		CJEDRO
C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCCc2ccccc21	ZINC000573190799	327120931	/nfs/dbraw/zinc/12/09/31/327120931.db2.gz	MZIFBLXBDIUEQO-SFHVURJKSA-N	1	0	284.447	4.716	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2)cc1	ZINC000573630747	334953679	/nfs/dbraw/zinc/95/36/79/334953679.db2.gz	XMQYMKJNEPRQEC-IBGZPJMESA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2)cc1	ZINC000573630750	334953699	/nfs/dbraw/zinc/95/36/99/334953699.db2.gz	XMQYMKJNEPRQEC-LJQANCHMSA-N	1	0	299.389	4.631	20	30		CJEDRO
C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccco1	ZINC000573731382	334961911	/nfs/dbraw/zinc/96/19/11/334961911.db2.gz	CCZVILIHAOTMEO-BZSNNMDCSA-N	1	0	281.399	4.680	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]Cc1cc(-c2ccccc2)cs1	ZINC000573836930	334970314	/nfs/dbraw/zinc/97/03/14/334970314.db2.gz	MEFATMZOSZYDRF-UHFFFAOYSA-N	1	0	298.455	4.835	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)C1(c2ccccc2)CCCC1	ZINC000573998251	334983992	/nfs/dbraw/zinc/98/39/92/334983992.db2.gz	VWCCMYNDYMUMOR-KRWDZBQOSA-N	1	0	298.474	4.806	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)C1(c2ccccc2)CCCC1	ZINC000573998252	334984008	/nfs/dbraw/zinc/98/40/08/334984008.db2.gz	VWCCMYNDYMUMOR-QGZVFWFLSA-N	1	0	298.474	4.806	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)c2ccccc21	ZINC000574433765	335019283	/nfs/dbraw/zinc/01/92/83/335019283.db2.gz	CIESIIUIJZLFGZ-BEFAXECRSA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21	ZINC000574433770	335019313	/nfs/dbraw/zinc/01/93/13/335019313.db2.gz	CIESIIUIJZLFGZ-DNVCBOLYSA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)c2ccccc21	ZINC000574433771	335019249	/nfs/dbraw/zinc/01/92/49/335019249.db2.gz	CIESIIUIJZLFGZ-HNAYVOBHSA-N	1	0	293.410	4.590	20	30		CJEDRO
C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)c2ccccc21	ZINC000574433772	335019236	/nfs/dbraw/zinc/01/92/36/335019236.db2.gz	CIESIIUIJZLFGZ-KXBFYZLASA-N	1	0	293.410	4.590	20	30		CJEDRO
C[C@@H](c1cccc2ccccc21)[NH+]1CCC(C)(C#N)CC1	ZINC000575015303	327656090	/nfs/dbraw/zinc/65/60/90/327656090.db2.gz	MGQCPPCKNPZGFA-HNNXBMFYSA-N	1	0	278.399	4.526	20	30		CJEDRO
C[C@H](c1cccc2ccccc21)[NH+]1CCC(C)(C#N)CC1	ZINC000575015304	327656072	/nfs/dbraw/zinc/65/60/72/327656072.db2.gz	MGQCPPCKNPZGFA-OAHLLOKOSA-N	1	0	278.399	4.526	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1C	ZINC000575098508	335064874	/nfs/dbraw/zinc/06/48/74/335064874.db2.gz	MJVDSFTWWXBYIS-FOIQADDNSA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1C	ZINC000575098509	335064847	/nfs/dbraw/zinc/06/48/47/335064847.db2.gz	MJVDSFTWWXBYIS-MGPUTAFESA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c1C	ZINC000575098510	335064881	/nfs/dbraw/zinc/06/48/81/335064881.db2.gz	MJVDSFTWWXBYIS-QRWLVFNGSA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)c1C	ZINC000575098511	335064868	/nfs/dbraw/zinc/06/48/68/335064868.db2.gz	MJVDSFTWWXBYIS-YWZLYKJASA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1ccccc1C[C@H](C)[N@H+](C)CCCCC(C)(C)C#N	ZINC000575473441	335105909	/nfs/dbraw/zinc/10/59/09/335105909.db2.gz	RNYAZEJZNCDVNT-KRWDZBQOSA-N	1	0	286.463	4.578	20	30		CJEDRO
Cc1ccccc1C[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N	ZINC000575473442	335105955	/nfs/dbraw/zinc/10/59/55/335105955.db2.gz	RNYAZEJZNCDVNT-QGZVFWFLSA-N	1	0	286.463	4.578	20	30		CJEDRO
CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccs1	ZINC000575856417	335124113	/nfs/dbraw/zinc/12/41/13/335124113.db2.gz	YWCMSADHKMKWIR-DLBZAZTESA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccs1	ZINC000575856418	335124116	/nfs/dbraw/zinc/12/41/16/335124116.db2.gz	YWCMSADHKMKWIR-IAGOWNOFSA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccs1	ZINC000575856419	335124050	/nfs/dbraw/zinc/12/40/50/335124050.db2.gz	YWCMSADHKMKWIR-IRXDYDNUSA-N	1	0	296.439	4.738	20	30		CJEDRO
CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccs1	ZINC000575856420	335124137	/nfs/dbraw/zinc/12/41/37/335124137.db2.gz	YWCMSADHKMKWIR-SJORKVTESA-N	1	0	296.439	4.738	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F	ZINC000575959987	335135280	/nfs/dbraw/zinc/13/52/80/335135280.db2.gz	RNZQHGMCCPLBQR-DZKIICNBSA-N	1	0	299.380	4.598	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)C(F)(F)F	ZINC000575959988	335135331	/nfs/dbraw/zinc/13/53/31/335135331.db2.gz	RNZQHGMCCPLBQR-LZWOXQAQSA-N	1	0	299.380	4.598	20	30		CJEDRO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000575959989	335135286	/nfs/dbraw/zinc/13/52/86/335135286.db2.gz	RNZQHGMCCPLBQR-OFQRWUPVSA-N	1	0	299.380	4.598	20	30		CJEDRO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F	ZINC000575959990	335135322	/nfs/dbraw/zinc/13/53/22/335135322.db2.gz	RNZQHGMCCPLBQR-SQWLQELKSA-N	1	0	299.380	4.598	20	30		CJEDRO
Cc1c(C[NH2+]CCCCC#N)sc2c1cccc2Cl	ZINC000576470738	335208324	/nfs/dbraw/zinc/20/83/24/335208324.db2.gz	SJTIWJCJGAACTF-UHFFFAOYSA-N	1	0	292.835	4.647	20	30		CJEDRO
Cc1cccc(C)c1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21	ZINC000576555215	335218441	/nfs/dbraw/zinc/21/84/41/335218441.db2.gz	UQEKYCNCXKFMOU-BEFAXECRSA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21	ZINC000576555217	335218389	/nfs/dbraw/zinc/21/83/89/335218389.db2.gz	UQEKYCNCXKFMOU-HNAYVOBHSA-N	1	0	290.410	4.513	20	30		CJEDRO
Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21	ZINC000576555218	335218396	/nfs/dbraw/zinc/21/83/96/335218396.db2.gz	UQEKYCNCXKFMOU-KXBFYZLASA-N	1	0	290.410	4.513	20	30		CJEDRO
C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc2ccccc2c1	ZINC000577134021	335306510	/nfs/dbraw/zinc/30/65/10/335306510.db2.gz	NAEXTRZXKAMFNR-HNNXBMFYSA-N	1	0	280.415	4.820	20	30		CJEDRO
C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc2ccccc2c1	ZINC000577134023	335306448	/nfs/dbraw/zinc/30/64/48/335306448.db2.gz	NAEXTRZXKAMFNR-OAHLLOKOSA-N	1	0	280.415	4.820	20	30		CJEDRO
CCC[N@H+](CCCCC#N)[C@@H](CC)c1ccccc1	ZINC000577194409	335320683	/nfs/dbraw/zinc/32/06/83/335320683.db2.gz	KSAUAOMUAQPKFX-KRWDZBQOSA-N	1	0	258.409	4.544	20	30		CJEDRO
CCC[N@H+](CCCCC#N)[C@H](CC)c1ccccc1	ZINC000577194412	335320637	/nfs/dbraw/zinc/32/06/37/335320637.db2.gz	KSAUAOMUAQPKFX-QGZVFWFLSA-N	1	0	258.409	4.544	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1	ZINC000577374571	335344463	/nfs/dbraw/zinc/34/44/63/335344463.db2.gz	PABHSYGRFLSARP-MOPGFXCFSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1	ZINC000577374576	335344446	/nfs/dbraw/zinc/34/44/46/335344446.db2.gz	PABHSYGRFLSARP-OALUTQOASA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1	ZINC000577374577	335344384	/nfs/dbraw/zinc/34/43/84/335344384.db2.gz	PABHSYGRFLSARP-RBUKOAKNSA-N	1	0	298.474	4.707	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1	ZINC000577374578	335344337	/nfs/dbraw/zinc/34/43/37/335344337.db2.gz	PABHSYGRFLSARP-RTBURBONSA-N	1	0	298.474	4.707	20	30		CJEDRO
Cc1ccc(C[C@H]2CCC[N@H+](CCCC(C)(C)C#N)C2)cc1	ZINC000577438900	335352296	/nfs/dbraw/zinc/35/22/96/335352296.db2.gz	SGGUBNFOUUDZJB-LJQANCHMSA-N	1	0	298.474	4.580	20	30		CJEDRO
Cc1cc(F)ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1	ZINC000578709171	335665334	/nfs/dbraw/zinc/66/53/34/335665334.db2.gz	INQKQEGVBLESPZ-IBGZPJMESA-N	1	0	296.389	4.659	20	30		CJEDRO
Cc1cc(F)ccc1C[NH2+][C@H](CCCC#N)c1ccccc1	ZINC000578709172	335665354	/nfs/dbraw/zinc/66/53/54/335665354.db2.gz	INQKQEGVBLESPZ-LJQANCHMSA-N	1	0	296.389	4.659	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@H]2CCCCc3ccccc32)CC1	ZINC000578961062	335693276	/nfs/dbraw/zinc/69/32/76/335693276.db2.gz	FGATZYAWFJEOHC-AVAKVYKDSA-N	1	0	282.431	4.516	20	30		CJEDRO
CC1(C#N)CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1	ZINC000578961072	335693329	/nfs/dbraw/zinc/69/33/29/335693329.db2.gz	FGATZYAWFJEOHC-CUYAVPTFSA-N	1	0	282.431	4.516	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c2ccccc21	ZINC000579012066	335700313	/nfs/dbraw/zinc/70/03/13/335700313.db2.gz	YAQHQDIYNUUCGS-BFHYXJOUSA-N	1	0	298.817	4.836	20	30		CJEDRO
C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c2ccccc21	ZINC000579012068	335700355	/nfs/dbraw/zinc/70/03/55/335700355.db2.gz	YAQHQDIYNUUCGS-MELADBBJSA-N	1	0	298.817	4.836	20	30		CJEDRO
C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c2ccccc21	ZINC000579012069	335700279	/nfs/dbraw/zinc/70/02/79/335700279.db2.gz	YAQHQDIYNUUCGS-MJBXVCDLSA-N	1	0	298.817	4.836	20	30		CJEDRO
CC[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1	ZINC000579213527	335722148	/nfs/dbraw/zinc/72/21/48/335722148.db2.gz	HCZFKUXJGGDPFD-NEWSRXKRSA-N	1	0	284.447	4.980	20	30		CJEDRO
CCCc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1	ZINC000579353318	335738198	/nfs/dbraw/zinc/73/81/98/335738198.db2.gz	ZBLTUCPVGKSXSJ-INIZCTEOSA-N	1	0	292.426	4.556	20	30		CJEDRO
Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1	ZINC000579891320	335916845	/nfs/dbraw/zinc/91/68/45/335916845.db2.gz	MNGDYSBIVYOTAQ-MGPUTAFESA-N	1	0	290.410	4.513	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2)s1	ZINC000580118745	327704211	/nfs/dbraw/zinc/70/42/11/327704211.db2.gz	LADZFXMIIWWWGC-UHFFFAOYSA-N	1	0	298.455	4.835	20	30		CJEDRO
C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(C)(C)CCC#N	ZINC000580597526	335296277	/nfs/dbraw/zinc/29/62/77/335296277.db2.gz	VZAREKACDIPTPM-KAMYIIQDSA-N	1	0	290.838	4.663	20	30		CJEDRO
C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(C)(C)CCC#N	ZINC000580597527	335296286	/nfs/dbraw/zinc/29/62/86/335296286.db2.gz	VZAREKACDIPTPM-SDNWHVSQSA-N	1	0	290.838	4.663	20	30		CJEDRO
CC(C)CC[C@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C	ZINC000580598040	335296726	/nfs/dbraw/zinc/29/67/26/335296726.db2.gz	PSQUUDMWHMZJFG-HNNXBMFYSA-N	1	0	266.473	4.757	20	30		CJEDRO
CC(C)CC[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C	ZINC000580598044	335296651	/nfs/dbraw/zinc/29/66/51/335296651.db2.gz	PSQUUDMWHMZJFG-OAHLLOKOSA-N	1	0	266.473	4.757	20	30		CJEDRO
C[C@H](C1CCCCC1)[N@H+](C)CCCCC(C)(C)C#N	ZINC000581083864	336007047	/nfs/dbraw/zinc/00/70/47/336007047.db2.gz	JOEFQANCLRSBCM-OAHLLOKOSA-N	1	0	264.457	4.607	20	30		CJEDRO
N#CCCC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1	ZINC000581146981	336016042	/nfs/dbraw/zinc/01/60/42/336016042.db2.gz	MGPSBSMTMZHTNC-DLBZAZTESA-N	1	0	290.838	4.650	20	30		CJEDRO
N#CCCC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1	ZINC000581146982	336016036	/nfs/dbraw/zinc/01/60/36/336016036.db2.gz	MGPSBSMTMZHTNC-IAGOWNOFSA-N	1	0	290.838	4.650	20	30		CJEDRO
N#CCCC[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1	ZINC000581146983	336016026	/nfs/dbraw/zinc/01/60/26/336016026.db2.gz	MGPSBSMTMZHTNC-IRXDYDNUSA-N	1	0	290.838	4.650	20	30		CJEDRO
N#CCCC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1	ZINC000581146984	336015950	/nfs/dbraw/zinc/01/59/50/336015950.db2.gz	MGPSBSMTMZHTNC-SJORKVTESA-N	1	0	290.838	4.650	20	30		CJEDRO
C=CCC(C)(C)C[NH2+]Cc1cnc(-c2ccccc2)s1	ZINC000581442413	336078750	/nfs/dbraw/zinc/07/87/50/336078750.db2.gz	DNZXVODDLSOWJE-UHFFFAOYSA-N	1	0	286.444	4.502	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1	ZINC000581621642	336113908	/nfs/dbraw/zinc/11/39/08/336113908.db2.gz	ATIPJIXSLAJHEA-GOSISDBHSA-N	1	0	298.405	4.502	20	30		CJEDRO
C=CCC(C)(C)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1	ZINC000581621643	336113937	/nfs/dbraw/zinc/11/39/37/336113937.db2.gz	ATIPJIXSLAJHEA-SFHVURJKSA-N	1	0	298.405	4.502	20	30		CJEDRO
C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CCC#N)CC1	ZINC000582119990	327879758	/nfs/dbraw/zinc/87/97/58/327879758.db2.gz	XPXOGNBUALFRND-GFCCVEGCSA-N	1	0	294.801	4.556	20	30		CJEDRO
C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(CCC#N)CC1	ZINC000582119991	327879844	/nfs/dbraw/zinc/87/98/44/327879844.db2.gz	XPXOGNBUALFRND-LBPRGKRZSA-N	1	0	294.801	4.556	20	30		CJEDRO
C=CCCCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1	ZINC000583000392	329300373	/nfs/dbraw/zinc/30/03/73/329300373.db2.gz	RWEULGUQPNADPU-IBGZPJMESA-N	1	0	298.405	4.646	20	30		CJEDRO
C=CCCCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1	ZINC000583000393	329300378	/nfs/dbraw/zinc/30/03/78/329300378.db2.gz	RWEULGUQPNADPU-LJQANCHMSA-N	1	0	298.405	4.646	20	30		CJEDRO
C=C(C)CC[NH2+][C@H](c1cccs1)c1ccc(F)cc1	ZINC000583109661	329312669	/nfs/dbraw/zinc/31/26/69/329312669.db2.gz	WGEGEQBQSIUZIV-INIZCTEOSA-N	1	0	275.392	4.532	20	30		CJEDRO
C=C(C)CC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1	ZINC000583109662	329312723	/nfs/dbraw/zinc/31/27/23/329312723.db2.gz	WGEGEQBQSIUZIV-MRXNPFEDSA-N	1	0	275.392	4.532	20	30		CJEDRO
C=CCC[C@H]([NH2+]Cc1c(C)nsc1C)c1ccccc1	ZINC000583211562	329368142	/nfs/dbraw/zinc/36/81/42/329368142.db2.gz	BYCFFTHDWOTVBR-KRWDZBQOSA-N	1	0	286.444	4.557	20	30		CJEDRO
C=CCC[C@@H]([NH2+]Cc1c(C)nsc1C)c1ccccc1	ZINC000583211563	329368338	/nfs/dbraw/zinc/36/83/38/329368338.db2.gz	BYCFFTHDWOTVBR-QGZVFWFLSA-N	1	0	286.444	4.557	20	30		CJEDRO
Cc1ccc([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1	ZINC000583242307	329393445	/nfs/dbraw/zinc/39/34/45/329393445.db2.gz	BRYKJFCJJZXOSU-GOSISDBHSA-N	1	0	284.447	4.504	20	30		CJEDRO
Cc1ccc([C@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)cc1	ZINC000583242308	329393387	/nfs/dbraw/zinc/39/33/87/329393387.db2.gz	BRYKJFCJJZXOSU-SFHVURJKSA-N	1	0	284.447	4.504	20	30		CJEDRO
C=CCC[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccco1	ZINC000583646887	328725952	/nfs/dbraw/zinc/72/59/52/328725952.db2.gz	SQNBHPKULYNXRT-AWEZNQCLSA-N	1	0	283.362	4.702	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccco1	ZINC000583646888	328726113	/nfs/dbraw/zinc/72/61/13/328726113.db2.gz	SQNBHPKULYNXRT-CQSZACIVSA-N	1	0	283.362	4.702	20	30		CJEDRO
C[C@@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1	ZINC000583663754	328728767	/nfs/dbraw/zinc/72/87/67/328728767.db2.gz	SUWMWOVAAWBQIP-CYBMUJFWSA-N	1	0	292.407	4.624	20	30		CJEDRO
C[C@H]([NH2+]Cc1ccc2sccc2c1)c1ccc(C#N)cc1	ZINC000583663755	328728677	/nfs/dbraw/zinc/72/86/77/328728677.db2.gz	SUWMWOVAAWBQIP-ZDUSSCGKSA-N	1	0	292.407	4.624	20	30		CJEDRO
C=CCC[C@H]([NH2+]CCCc1cccs1)c1ccco1	ZINC000584188189	327059207	/nfs/dbraw/zinc/05/92/07/327059207.db2.gz	RQTXRHVNVZJIFY-HNNXBMFYSA-N	1	0	275.417	4.571	20	30		CJEDRO
C=CCC[C@@H]([NH2+]CCCc1cccs1)c1ccco1	ZINC000584188190	327059254	/nfs/dbraw/zinc/05/92/54/327059254.db2.gz	RQTXRHVNVZJIFY-OAHLLOKOSA-N	1	0	275.417	4.571	20	30		CJEDRO
CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2)cc1	ZINC000584190583	327059916	/nfs/dbraw/zinc/05/99/16/327059916.db2.gz	LFKVPHFZOLDAEQ-UHFFFAOYSA-N	1	0	292.426	4.773	20	30		CJEDRO