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)[NH2+][C@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C	ZINC000111144237	186359622	/nfs/dbraw/zinc/35/96/22/186359622.db2.gz	QIYHIJXDVNZFAL-INIZCTEOSA-N	3	2	282.476	2.320	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C	ZINC000111144237	186359623	/nfs/dbraw/zinc/35/96/23/186359623.db2.gz	QIYHIJXDVNZFAL-INIZCTEOSA-N	3	2	282.476	2.320	10	30		CEEELP
C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1	ZINC000181559981	189300029	/nfs/dbraw/zinc/30/00/29/189300029.db2.gz	XUBYKWGFRLFNPK-PBHICJAKSA-N	2	2	287.407	2.056	10	30		CEEELP
C[N@H+](Cc1cscn1)Cc1sccc1C#CC[NH3+]	ZINC000043684272	175093139	/nfs/dbraw/zinc/09/31/39/175093139.db2.gz	YEVVDHMIISHXTH-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
C[N@@H+](Cc1cscn1)Cc1sccc1C#CC[NH3+]	ZINC000043684272	175093140	/nfs/dbraw/zinc/09/31/40/175093140.db2.gz	YEVVDHMIISHXTH-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
CCC[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045306448	175355776	/nfs/dbraw/zinc/35/57/76/175355776.db2.gz	XQGORJLFEKYHLH-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C	ZINC000045310446	175356350	/nfs/dbraw/zinc/35/63/50/175356350.db2.gz	KGXDAJQOXBFTIN-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C	ZINC000045310446	175356351	/nfs/dbraw/zinc/35/63/51/175356351.db2.gz	KGXDAJQOXBFTIN-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CC)C[C@@H]1CCCO1	ZINC000045315117	175357604	/nfs/dbraw/zinc/35/76/04/175357604.db2.gz	RTZGCXPBRLFCMD-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CC)C[C@@H]1CCCO1	ZINC000045315117	175357605	/nfs/dbraw/zinc/35/76/05/175357605.db2.gz	RTZGCXPBRLFCMD-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C	ZINC000045317528	175357718	/nfs/dbraw/zinc/35/77/18/175357718.db2.gz	WDHBPLLIMWEVDI-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+]1CCOCC1(C)C	ZINC000045317528	175357719	/nfs/dbraw/zinc/35/77/19/175357719.db2.gz	WDHBPLLIMWEVDI-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315818	175358395	/nfs/dbraw/zinc/35/83/95/175358395.db2.gz	GBFSRBLFRDRBND-QGZVFWFLSA-N	3	2	294.487	2.322	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[NH+](CCOC)CCOC	ZINC000045318613	175359486	/nfs/dbraw/zinc/35/94/86/175359486.db2.gz	JPLNGROOWNYYRD-INIZCTEOSA-N	2	2	299.459	2.033	10	30		CEEELP
CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1ccc(OCC#N)cc1	ZINC000049198027	519793777	/nfs/dbraw/zinc/79/37/77/519793777.db2.gz	DKIBUYDRWVWAOO-MRXNPFEDSA-N	2	2	275.396	2.265	10	30		CEEELP
C=C(Cl)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1	ZINC000105915924	186089321	/nfs/dbraw/zinc/08/93/21/186089321.db2.gz	RSGOOEKWKQQLPN-UHFFFAOYSA-N	2	2	282.819	2.032	10	30		CEEELP
C=C(Cl)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1	ZINC000105915924	186089324	/nfs/dbraw/zinc/08/93/24/186089324.db2.gz	RSGOOEKWKQQLPN-UHFFFAOYSA-N	2	2	282.819	2.032	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CC)CCOCC	ZINC000111121649	186355595	/nfs/dbraw/zinc/35/55/95/186355595.db2.gz	HRADUGSUZAUHSF-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CC)CCOCC	ZINC000111121649	186355596	/nfs/dbraw/zinc/35/55/96/186355596.db2.gz	HRADUGSUZAUHSF-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000135064789	366391419	/nfs/dbraw/zinc/39/14/19/366391419.db2.gz	JPKVHENVXGKBRG-ZDUSSCGKSA-N	2	2	258.369	2.324	10	30		CEEELP
Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000135064789	366391426	/nfs/dbraw/zinc/39/14/26/366391426.db2.gz	JPKVHENVXGKBRG-ZDUSSCGKSA-N	2	2	258.369	2.324	10	30		CEEELP
C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000181559736	189300377	/nfs/dbraw/zinc/30/03/77/189300377.db2.gz	IVJCGTUPVWYVBB-YOEHRIQHSA-N	2	2	287.407	2.056	10	30		CEEELP
CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H](C)C#N	ZINC000043689086	175095968	/nfs/dbraw/zinc/09/59/68/175095968.db2.gz	MOGNZTOUOHPNOO-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H](C)C#N	ZINC000043689086	175095971	/nfs/dbraw/zinc/09/59/71/175095971.db2.gz	MOGNZTOUOHPNOO-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CCOC)C1CC1	ZINC000045316770	175357993	/nfs/dbraw/zinc/35/79/93/175357993.db2.gz	MUYPZISDZYARKF-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CCOC)C1CC1	ZINC000045316770	175357994	/nfs/dbraw/zinc/35/79/94/175357994.db2.gz	MUYPZISDZYARKF-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
COCC[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)C1CC1	ZINC000045316739	175358065	/nfs/dbraw/zinc/35/80/65/175358065.db2.gz	NHBSSPUABURRHL-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
COCC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)C1CC1	ZINC000045316739	175358067	/nfs/dbraw/zinc/35/80/67/175358067.db2.gz	NHBSSPUABURRHL-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1	ZINC000045315143	175358073	/nfs/dbraw/zinc/35/80/73/175358073.db2.gz	QJNUOXATXYUCKH-JKSUJKDBSA-N	2	2	279.428	2.302	10	30		CEEELP
CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1	ZINC000045315143	175358075	/nfs/dbraw/zinc/35/80/75/175358075.db2.gz	QJNUOXATXYUCKH-JKSUJKDBSA-N	2	2	279.428	2.302	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055069987	520102612	/nfs/dbraw/zinc/10/26/12/520102612.db2.gz	UXMHLNZMCGFMGU-CVEARBPZSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613184	520032490	/nfs/dbraw/zinc/03/24/90/520032490.db2.gz	HIYBRZDEMFDZRU-DOTOQJQBSA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C2CCCC2)CC1	ZINC000068614884	520131480	/nfs/dbraw/zinc/13/14/80/520131480.db2.gz	MWDNEQYUPAUWPX-DOTOQJQBSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[NH+](CC)[C@H]1CCN(C[C@](C#N)([NH2+]C(C)C)C2CC2)C1	ZINC000069083274	520873819	/nfs/dbraw/zinc/87/38/19/520873819.db2.gz	JHVBHPYIEQIKGR-IRXDYDNUSA-N	2	2	292.471	2.073	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055070158	523953156	/nfs/dbraw/zinc/95/31/56/523953156.db2.gz	UNZLFSIFHJTRMF-DLBZAZTESA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH+]1CCC(Nc2cc(C)[nH+]c(C)c2C#N)CC1	ZINC000127360679	187299605	/nfs/dbraw/zinc/29/96/05/187299605.db2.gz	AVFIOQCZBOUDSC-UHFFFAOYSA-N	2	2	258.369	2.466	10	30		CEEELP
C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+](C)C	ZINC000086037355	179221475	/nfs/dbraw/zinc/22/14/75/179221475.db2.gz	QOGFCPSXUZLAKH-JEYLPNPQSA-N	2	2	257.381	2.150	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[C@H]([NH+](C)C)C1	ZINC000091432835	180153525	/nfs/dbraw/zinc/15/35/25/180153525.db2.gz	KLCOOPLBMVIEIH-JYJNAYRXSA-N	2	2	280.460	2.071	10	30		CEEELP
Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c(C#N)c(C)[nH+]1	ZINC000301786000	201195369	/nfs/dbraw/zinc/19/53/69/201195369.db2.gz	PASSOXYLIZZELS-ZDUSSCGKSA-N	2	2	258.369	2.465	10	30		CEEELP
Cc1cc(N[C@H]2CC[N@H+](C(C)C)C2)c(C#N)c(C)[nH+]1	ZINC000301786000	201195373	/nfs/dbraw/zinc/19/53/73/201195373.db2.gz	PASSOXYLIZZELS-ZDUSSCGKSA-N	2	2	258.369	2.465	10	30		CEEELP
N#CCSCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000173897234	395116777	/nfs/dbraw/zinc/11/67/77/395116777.db2.gz	TWTOLTGKMYIDEN-AWEZNQCLSA-N	2	2	290.436	2.462	10	30		CEEELP
N#CCSCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000173897234	395116780	/nfs/dbraw/zinc/11/67/80/395116780.db2.gz	TWTOLTGKMYIDEN-AWEZNQCLSA-N	2	2	290.436	2.462	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](CCC)CC1	ZINC000045306468	175355835	/nfs/dbraw/zinc/35/58/35/175355835.db2.gz	MRIZNAFTFGTWLO-QGZVFWFLSA-N	2	2	294.487	2.466	10	30		CEEELP
CCO[C@H]1CCC[N@H+](CCCC[C@@](C)(C#N)[NH2+]C)C1	ZINC000045320634	175359240	/nfs/dbraw/zinc/35/92/40/175359240.db2.gz	JMNJWNBZIRRRQT-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCO[C@H]1CCC[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C)C1	ZINC000045320634	175359242	/nfs/dbraw/zinc/35/92/42/175359242.db2.gz	JMNJWNBZIRRRQT-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1	ZINC000157455420	301334696	/nfs/dbraw/zinc/33/46/96/301334696.db2.gz	AKWREHYUYGDOFZ-CYBMUJFWSA-N	2	2	258.369	2.101	10	30		CEEELP
CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000156580023	520849753	/nfs/dbraw/zinc/84/97/53/520849753.db2.gz	XBAVEJUOFPTBBT-CQSZACIVSA-N	2	2	272.396	2.491	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169232	186365524	/nfs/dbraw/zinc/36/55/24/186365524.db2.gz	KTRHCYCCIYBRFY-HNNXBMFYSA-N	2	2	267.417	2.017	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169232	186365525	/nfs/dbraw/zinc/36/55/25/186365525.db2.gz	KTRHCYCCIYBRFY-HNNXBMFYSA-N	2	2	267.417	2.017	10	30		CEEELP
C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180677480	189269788	/nfs/dbraw/zinc/26/97/88/189269788.db2.gz	AJAYHIBSSXYSML-ZIAGYGMSSA-N	2	2	298.390	2.214	10	30		CEEELP
CCC[NH+]1CCN(CC[C@H]2CCC[C@@]2(C#N)[NH2+]CC)CC1	ZINC000093552905	184690095	/nfs/dbraw/zinc/69/00/95/184690095.db2.gz	PKJDPLXLLVIDOG-SJORKVTESA-N	2	2	292.471	2.076	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]CCc2cccc(F)c2)CC1	ZINC000037262393	173071771	/nfs/dbraw/zinc/07/17/71/173071771.db2.gz	WEJSTVCLBYPUSV-UHFFFAOYSA-N	2	2	260.356	2.055	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311157	175356293	/nfs/dbraw/zinc/35/62/93/175356293.db2.gz	NMQYQAYOOCYAHP-QGZVFWFLSA-N	3	2	294.487	2.465	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311509	175356533	/nfs/dbraw/zinc/35/65/33/175356533.db2.gz	CTBDKILOTJFMOT-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
COC[C@H](C)[N@H+](C)CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045314608	175357442	/nfs/dbraw/zinc/35/74/42/175357442.db2.gz	UNRLUINDUSPXIC-KBPBESRZSA-N	2	2	255.406	2.014	10	30		CEEELP
COC[C@H](C)[N@@H+](C)CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045314608	175357443	/nfs/dbraw/zinc/35/74/43/175357443.db2.gz	UNRLUINDUSPXIC-KBPBESRZSA-N	2	2	255.406	2.014	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CC)CCOC	ZINC000045316874	175357877	/nfs/dbraw/zinc/35/78/77/175357877.db2.gz	DXUUMYISAZZBGN-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CC)CCOC	ZINC000045316874	175357879	/nfs/dbraw/zinc/35/78/79/175357879.db2.gz	DXUUMYISAZZBGN-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318457	175359433	/nfs/dbraw/zinc/35/94/33/175359433.db2.gz	YHOJBEUICGLGCJ-QGZVFWFLSA-N	2	2	294.487	2.463	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611603	519739331	/nfs/dbraw/zinc/73/93/31/519739331.db2.gz	SROOTCAULUTQDS-ZBFHGGJFSA-N	2	2	280.460	2.071	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616197	520031535	/nfs/dbraw/zinc/03/15/35/520031535.db2.gz	MVWYKQZHHZGXIM-JKSUJKDBSA-N	2	2	280.460	2.074	10	30		CEEELP
CN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000068612097	522405462	/nfs/dbraw/zinc/40/54/62/522405462.db2.gz	DSAANVCVKLKLCN-DOTOQJQBSA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C	ZINC000111144232	186358833	/nfs/dbraw/zinc/35/88/33/186358833.db2.gz	NTQIEMWWDCEMBO-MRXNPFEDSA-N	3	2	282.476	2.322	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C	ZINC000111144232	186358834	/nfs/dbraw/zinc/35/88/34/186358834.db2.gz	NTQIEMWWDCEMBO-MRXNPFEDSA-N	3	2	282.476	2.322	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CC)CCOC	ZINC000045316878	175357678	/nfs/dbraw/zinc/35/76/78/175357678.db2.gz	DXUUMYISAZZBGN-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CC)CCOC	ZINC000045316878	175357680	/nfs/dbraw/zinc/35/76/80/175357680.db2.gz	DXUUMYISAZZBGN-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315772	175357734	/nfs/dbraw/zinc/35/77/34/175357734.db2.gz	FHPLRPLVXOYOSY-KRWDZBQOSA-N	3	2	294.487	2.322	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316636	175358108	/nfs/dbraw/zinc/35/81/08/175358108.db2.gz	RPJKCHWHENXHHM-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316636	175358110	/nfs/dbraw/zinc/35/81/10/175358110.db2.gz	RPJKCHWHENXHHM-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CC)CCOC	ZINC000045316912	175358522	/nfs/dbraw/zinc/35/85/22/175358522.db2.gz	LTZLTAOOXQUOMC-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CC)CCOC	ZINC000045316912	175358523	/nfs/dbraw/zinc/35/85/23/175358523.db2.gz	LTZLTAOOXQUOMC-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318484	175358832	/nfs/dbraw/zinc/35/88/32/175358832.db2.gz	VAIJTKUAOVQTIQ-KRWDZBQOSA-N	2	2	294.487	2.465	10	30		CEEELP
CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(C#N)ccc1F	ZINC000062803054	522646119	/nfs/dbraw/zinc/64/61/19/522646119.db2.gz	CTMQTIZEXPTEQM-CYBMUJFWSA-N	2	2	272.327	2.222	10	30		CEEELP
CC[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1	ZINC000110942796	186334952	/nfs/dbraw/zinc/33/49/52/186334952.db2.gz	NQEPXUKTNYKQAS-HNNXBMFYSA-N	2	2	273.380	2.011	10	30		CEEELP
CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1	ZINC000110942796	186334954	/nfs/dbraw/zinc/33/49/54/186334954.db2.gz	NQEPXUKTNYKQAS-HNNXBMFYSA-N	2	2	273.380	2.011	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169325	186365136	/nfs/dbraw/zinc/36/51/36/186365136.db2.gz	MKVIJPPJZNZMOJ-MRXNPFEDSA-N	2	2	281.444	2.407	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169325	186365138	/nfs/dbraw/zinc/36/51/38/186365138.db2.gz	MKVIJPPJZNZMOJ-MRXNPFEDSA-N	2	2	281.444	2.407	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169046	186365198	/nfs/dbraw/zinc/36/51/98/186365198.db2.gz	HIGFSWHZMJQHLN-LSDHHAIUSA-N	2	2	267.417	2.017	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169046	186365200	/nfs/dbraw/zinc/36/52/00/186365200.db2.gz	HIGFSWHZMJQHLN-LSDHHAIUSA-N	2	2	267.417	2.017	10	30		CEEELP
CCN(CCC[NH+](C)C)c1cc(C)[nH+]c(C)c1C#N	ZINC000230405694	370460176	/nfs/dbraw/zinc/46/01/76/370460176.db2.gz	SUPAUBLBOGNAEG-UHFFFAOYSA-N	2	2	260.385	2.348	10	30		CEEELP
C[C@@]([NH3+])(C#N)CCCC[N@@H+]1CCc2ccccc2C1	ZINC000045307622	175355662	/nfs/dbraw/zinc/35/56/62/175355662.db2.gz	APVGOMHBQJOZBU-INIZCTEOSA-N	2	2	257.381	2.456	10	30		CEEELP
C[C@@]([NH3+])(C#N)CCCC[N@H+]1CCc2ccccc2C1	ZINC000045307622	175355663	/nfs/dbraw/zinc/35/56/63/175355663.db2.gz	APVGOMHBQJOZBU-INIZCTEOSA-N	2	2	257.381	2.456	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311163	175356652	/nfs/dbraw/zinc/35/66/52/175356652.db2.gz	XELUCWNJIXHANP-QGZVFWFLSA-N	3	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311922	175357011	/nfs/dbraw/zinc/35/70/11/175357011.db2.gz	XNKWINWQLBYKKO-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOC(C)(C)C1	ZINC000045311922	175357013	/nfs/dbraw/zinc/35/70/13/175357013.db2.gz	XNKWINWQLBYKKO-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
COC[C@@H](C)[N@H+](C)CCCC[C@@](C)(C#N)[NH2+]C1CC1	ZINC000045314673	175357255	/nfs/dbraw/zinc/35/72/55/175357255.db2.gz	DSSUUFGVHWKBPG-HIFRSBDPSA-N	2	2	267.417	2.158	10	30		CEEELP
COC[C@@H](C)[N@@H+](C)CCCC[C@@](C)(C#N)[NH2+]C1CC1	ZINC000045314673	175357256	/nfs/dbraw/zinc/35/72/56/175357256.db2.gz	DSSUUFGVHWKBPG-HIFRSBDPSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)[C@@H](C)COC	ZINC000045314233	175357611	/nfs/dbraw/zinc/35/76/11/175357611.db2.gz	XDACNCQKTPHODC-DZGCQCFKSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)[C@@H](C)COC	ZINC000045314233	175357612	/nfs/dbraw/zinc/35/76/12/175357612.db2.gz	XDACNCQKTPHODC-DZGCQCFKSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317401	175357730	/nfs/dbraw/zinc/35/77/30/175357730.db2.gz	ZUQSVSZGRMPFCJ-HOCLYGCPSA-N	2	2	281.444	2.405	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317401	175357731	/nfs/dbraw/zinc/35/77/31/175357731.db2.gz	ZUQSVSZGRMPFCJ-HOCLYGCPSA-N	2	2	281.444	2.405	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315776	175358308	/nfs/dbraw/zinc/35/83/08/175358308.db2.gz	FHPLRPLVXOYOSY-QGZVFWFLSA-N	3	2	294.487	2.322	10	30		CEEELP
COCC[NH+](CCCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045318621	175358953	/nfs/dbraw/zinc/35/89/53/175358953.db2.gz	LLWNCLWEFRVEEQ-INIZCTEOSA-N	2	2	299.459	2.032	10	30		CEEELP
[NH2+]=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1CCCC1	ZINC000262167365	330001258	/nfs/dbraw/zinc/00/12/58/330001258.db2.gz	BXUPMCDTESTRBP-UHFFFAOYSA-N	2	2	283.379	2.219	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1	ZINC000068616426	520032024	/nfs/dbraw/zinc/03/20/24/520032024.db2.gz	RKHMRZXMFOYYAC-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1	ZINC000068616426	520032029	/nfs/dbraw/zinc/03/20/29/520032029.db2.gz	RKHMRZXMFOYYAC-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1	ZINC000068616422	520102292	/nfs/dbraw/zinc/10/22/92/520102292.db2.gz	RKHMRZXMFOYYAC-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[N@@H+](C)C(C)(C)C1	ZINC000068616422	520102296	/nfs/dbraw/zinc/10/22/96/520102296.db2.gz	RKHMRZXMFOYYAC-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616186	520102945	/nfs/dbraw/zinc/10/29/45/520102945.db2.gz	MVWYKQZHHZGXIM-HOTGVXAUSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613199	520130865	/nfs/dbraw/zinc/13/08/65/520130865.db2.gz	ARHCMDJGXNXRQV-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CSC1(C#N)CC[NH+](CCC[NH+]2CCCC2)CC1	ZINC000091470731	180165006	/nfs/dbraw/zinc/16/50/06/180165006.db2.gz	MGKCLXMEVPCOMK-UHFFFAOYSA-N	2	2	267.442	2.193	10	30		CEEELP
Cc1cc(NC(=O)c2cc(C#CC[NH3+])ccc2F)cc[nH+]1	ZINC000092365932	180369278	/nfs/dbraw/zinc/36/92/78/180369278.db2.gz	DHYFSAJTPPPNOW-UHFFFAOYSA-N	2	2	283.306	2.092	10	30		CEEELP
CC[N@@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157378475	395034934	/nfs/dbraw/zinc/03/49/34/395034934.db2.gz	AILIAFNNWXZFHA-CYBMUJFWSA-N	2	2	258.369	2.466	10	30		CEEELP
CC[N@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157378475	395034936	/nfs/dbraw/zinc/03/49/36/395034936.db2.gz	AILIAFNNWXZFHA-CYBMUJFWSA-N	2	2	258.369	2.466	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccs2)CC1	ZINC000037291720	173096966	/nfs/dbraw/zinc/09/69/66/173096966.db2.gz	QQGHCASLUBLMDS-ZDUSSCGKSA-N	2	2	262.422	2.366	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311506	175356413	/nfs/dbraw/zinc/35/64/13/175356413.db2.gz	CTBDKILOTJFMOT-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(C#N)c(C)[nH+]1	ZINC000301757455	280560046	/nfs/dbraw/zinc/56/00/46/280560046.db2.gz	FAOASBNYXLLYRL-UHFFFAOYSA-N	2	2	293.374	2.292	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611600	520102585	/nfs/dbraw/zinc/10/25/85/520102585.db2.gz	SJCKKHHDGYCSKR-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615993	519735796	/nfs/dbraw/zinc/73/57/96/519735796.db2.gz	MCQOULXDQVYZBS-YESZJQIVSA-N	2	2	292.471	2.215	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1	ZINC000068615899	520101672	/nfs/dbraw/zinc/10/16/72/520101672.db2.gz	LYRXMJWXGBHXTJ-ULQDDVLXSA-N	2	2	294.487	2.463	10	30		CEEELP
CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(C#N)cc1F	ZINC000062803023	522338018	/nfs/dbraw/zinc/33/80/18/522338018.db2.gz	IRGITRHJTYCOBJ-ZDUSSCGKSA-N	2	2	272.327	2.222	10	30		CEEELP
CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(C#N)c1	ZINC000062803104	522645948	/nfs/dbraw/zinc/64/59/48/522645948.db2.gz	OXJZTXHFCZHQAT-CQSZACIVSA-N	2	2	254.337	2.083	10	30		CEEELP
CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(C#N)cc1	ZINC000062803062	522646189	/nfs/dbraw/zinc/64/61/89/522646189.db2.gz	HPEWMYJWCNJGKK-CQSZACIVSA-N	2	2	254.337	2.083	10	30		CEEELP
N#CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12	ZINC000309707909	627786591	/nfs/dbraw/zinc/78/65/91/627786591.db2.gz	INQYKXUCUQURRF-IXDOHACOSA-N	2	2	269.392	2.400	10	30		CEEELP
N#CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000309707909	627786597	/nfs/dbraw/zinc/78/65/97/627786597.db2.gz	INQYKXUCUQURRF-IXDOHACOSA-N	2	2	269.392	2.400	10	30		CEEELP
C[N@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CC1CCOCC1	ZINC000111169214	186365857	/nfs/dbraw/zinc/36/58/57/186365857.db2.gz	LDKBADQLBVHZSW-MRXNPFEDSA-N	2	2	279.428	2.159	10	30		CEEELP
C[N@@H+](CCC[C@](C)(C#N)[NH2+]C1CC1)CC1CCOCC1	ZINC000111169214	186365858	/nfs/dbraw/zinc/36/58/58/186365858.db2.gz	LDKBADQLBVHZSW-MRXNPFEDSA-N	2	2	279.428	2.159	10	30		CEEELP
CC[NH2+][C@@]1(C#N)CCC[C@H]1CC[NH+]1CCC(OC)CC1	ZINC000093554347	184689948	/nfs/dbraw/zinc/68/99/48/184689948.db2.gz	SSDMGIYSUOAOJD-GOEBONIOSA-N	2	2	279.428	2.159	10	30		CEEELP
C=C(C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195289152	395463913	/nfs/dbraw/zinc/46/39/13/395463913.db2.gz	GKAANOJWEFDHQU-INIZCTEOSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000195289152	395463916	/nfs/dbraw/zinc/46/39/16/395463916.db2.gz	GKAANOJWEFDHQU-INIZCTEOSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195289152	395463918	/nfs/dbraw/zinc/46/39/18/395463918.db2.gz	GKAANOJWEFDHQU-INIZCTEOSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195289152	395463920	/nfs/dbraw/zinc/46/39/20/395463920.db2.gz	GKAANOJWEFDHQU-INIZCTEOSA-N	2	2	259.397	2.411	10	30		CEEELP
CCCN[C@](C)(C#N)CC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045182541	175325741	/nfs/dbraw/zinc/32/57/41/175325741.db2.gz	OMYSXATYXWCTLZ-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CCCN[C@](C)(C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045182541	175325743	/nfs/dbraw/zinc/32/57/43/175325743.db2.gz	OMYSXATYXWCTLZ-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311160	175356611	/nfs/dbraw/zinc/35/66/11/175356611.db2.gz	XELUCWNJIXHANP-KRWDZBQOSA-N	3	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311153	175356808	/nfs/dbraw/zinc/35/68/08/175356808.db2.gz	NMQYQAYOOCYAHP-KRWDZBQOSA-N	3	2	294.487	2.465	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](CCOC)CC(C)C	ZINC000045315015	175357207	/nfs/dbraw/zinc/35/72/07/175357207.db2.gz	JOSINAYNCSELJD-OAHLLOKOSA-N	2	2	269.433	2.263	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCOC)CC(C)C	ZINC000045315015	175357208	/nfs/dbraw/zinc/35/72/08/175357208.db2.gz	JOSINAYNCSELJD-OAHLLOKOSA-N	2	2	269.433	2.263	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317137	175358424	/nfs/dbraw/zinc/35/84/24/175358424.db2.gz	REQSUPQAXLZQMA-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317137	175358425	/nfs/dbraw/zinc/35/84/25/175358425.db2.gz	REQSUPQAXLZQMA-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612929	520032620	/nfs/dbraw/zinc/03/26/20/520032620.db2.gz	BOAYXUPLRCTWBD-DOTOQJQBSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612929	520032630	/nfs/dbraw/zinc/03/26/30/520032630.db2.gz	BOAYXUPLRCTWBD-DOTOQJQBSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612924	520102441	/nfs/dbraw/zinc/10/24/41/520102441.db2.gz	BOAYXUPLRCTWBD-RDJZCZTQSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612924	520102450	/nfs/dbraw/zinc/10/24/50/520102450.db2.gz	BOAYXUPLRCTWBD-RDJZCZTQSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611460	520031088	/nfs/dbraw/zinc/03/10/88/520031088.db2.gz	OXPMFUUJJFWHAG-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611460	520031094	/nfs/dbraw/zinc/03/10/94/520031094.db2.gz	OXPMFUUJJFWHAG-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616179	520101854	/nfs/dbraw/zinc/10/18/54/520101854.db2.gz	MVWYKQZHHZGXIM-CVEARBPZSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)(C#N)[NH2+]C)CC1	ZINC000055070182	522118774	/nfs/dbraw/zinc/11/87/74/522118774.db2.gz	FVTOQDVNMXNQMQ-CVEARBPZSA-N	2	2	280.460	2.074	10	30		CEEELP
C[N@H+](Cc1cccc(C#N)c1)Cc1cc(N)cc[nH+]1	ZINC000092419054	180382736	/nfs/dbraw/zinc/38/27/36/180382736.db2.gz	ZAUXKEANHUCMLA-UHFFFAOYSA-N	2	2	252.321	2.167	10	30		CEEELP
C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(N)cc[nH+]1	ZINC000092419054	180382738	/nfs/dbraw/zinc/38/27/38/180382738.db2.gz	ZAUXKEANHUCMLA-UHFFFAOYSA-N	2	2	252.321	2.167	10	30		CEEELP
CCC[NH+]1CCN(CCCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045306470	175355746	/nfs/dbraw/zinc/35/57/46/175355746.db2.gz	KEUMTDOBYGBHKG-KRWDZBQOSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH+]1CCN(CCCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045306472	175355866	/nfs/dbraw/zinc/35/58/66/175355866.db2.gz	KEUMTDOBYGBHKG-QGZVFWFLSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CCOCC1	ZINC000045311817	175356741	/nfs/dbraw/zinc/35/67/41/175356741.db2.gz	BMVAEUQJUUERTC-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CCOCC1	ZINC000045311817	175356742	/nfs/dbraw/zinc/35/67/42/175356742.db2.gz	BMVAEUQJUUERTC-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760803	519923135	/nfs/dbraw/zinc/92/31/35/519923135.db2.gz	OFTYIGKLMXTAIZ-HNNXBMFYSA-N	2	2	272.396	2.165	10	30		CEEELP
CCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760803	519923140	/nfs/dbraw/zinc/92/31/40/519923140.db2.gz	OFTYIGKLMXTAIZ-HNNXBMFYSA-N	2	2	272.396	2.165	10	30		CEEELP
CCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760808	519934473	/nfs/dbraw/zinc/93/44/73/519934473.db2.gz	OFTYIGKLMXTAIZ-OAHLLOKOSA-N	2	2	272.396	2.165	10	30		CEEELP
CCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760808	519934478	/nfs/dbraw/zinc/93/44/78/519934478.db2.gz	OFTYIGKLMXTAIZ-OAHLLOKOSA-N	2	2	272.396	2.165	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615608	520032468	/nfs/dbraw/zinc/03/24/68/520032468.db2.gz	DOWYURJAHWOHLH-BRWVUGGUSA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615608	520032460	/nfs/dbraw/zinc/03/24/60/520032460.db2.gz	DOWYURJAHWOHLH-BRWVUGGUSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[NH+]1CCC(N(C)C[C@@](C#N)([NH2+]C(C)C)C2CC2)CC1	ZINC000069080095	521561752	/nfs/dbraw/zinc/56/17/52/521561752.db2.gz	ZLMXBFXPEFQVJP-QGZVFWFLSA-N	2	2	292.471	2.073	10	30		CEEELP
CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(C#N)ccc1F	ZINC000062803053	522336895	/nfs/dbraw/zinc/33/68/95/522336895.db2.gz	CTMQTIZEXPTEQM-ZDUSSCGKSA-N	2	2	272.327	2.222	10	30		CEEELP
Cn1cc[nH+]c1CC[NH2+][C@H](CC#N)c1ccccc1	ZINC000055018830	527430231	/nfs/dbraw/zinc/43/02/31/527430231.db2.gz	YJIYHXOCMXJLHR-CQSZACIVSA-N	2	2	254.337	2.207	10	30		CEEELP
C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1	ZINC000181559998	368470958	/nfs/dbraw/zinc/47/09/58/368470958.db2.gz	XUBYKWGFRLFNPK-WMLDXEAASA-N	2	2	287.407	2.056	10	30		CEEELP
CC(C)[N@H+](CCC#N)Cc1ccc(C#CC[NH3+])s1	ZINC000043684175	175093049	/nfs/dbraw/zinc/09/30/49/175093049.db2.gz	JIEKCVXBNYNWHZ-UHFFFAOYSA-N	2	2	261.394	2.182	10	30		CEEELP
CC(C)[N@@H+](CCC#N)Cc1ccc(C#CC[NH3+])s1	ZINC000043684175	175093051	/nfs/dbraw/zinc/09/30/51/175093051.db2.gz	JIEKCVXBNYNWHZ-UHFFFAOYSA-N	2	2	261.394	2.182	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1	ZINC000045182847	175325518	/nfs/dbraw/zinc/32/55/18/175325518.db2.gz	CBJJPKUZHBYUHD-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307101	175355564	/nfs/dbraw/zinc/35/55/64/175355564.db2.gz	RBNOWZXAEPYKPO-QLFBSQMISA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307101	175355567	/nfs/dbraw/zinc/35/55/67/175355567.db2.gz	RBNOWZXAEPYKPO-QLFBSQMISA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C	ZINC000045310452	175356495	/nfs/dbraw/zinc/35/64/95/175356495.db2.gz	IRDBKLZGGFJKFK-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C	ZINC000045310452	175356497	/nfs/dbraw/zinc/35/64/97/175356497.db2.gz	IRDBKLZGGFJKFK-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC	ZINC000045314650	175357140	/nfs/dbraw/zinc/35/71/40/175357140.db2.gz	XTZUTUYLAVAMTF-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)[C@@H](C)COC	ZINC000045314650	175357142	/nfs/dbraw/zinc/35/71/42/175357142.db2.gz	XTZUTUYLAVAMTF-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C	ZINC000045317540	175357859	/nfs/dbraw/zinc/35/78/59/175357859.db2.gz	JMJDISCYICTKDI-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOCC1(C)C	ZINC000045317540	175357860	/nfs/dbraw/zinc/35/78/60/175357860.db2.gz	JMJDISCYICTKDI-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+](CC)CCOC	ZINC000045316919	175358031	/nfs/dbraw/zinc/35/80/31/175358031.db2.gz	JCXJCFPJEUOKGW-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+](CC)CCOC	ZINC000045316919	175358033	/nfs/dbraw/zinc/35/80/33/175358033.db2.gz	JCXJCFPJEUOKGW-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)COC	ZINC000045318898	175359018	/nfs/dbraw/zinc/35/90/18/175359018.db2.gz	XTWJRVHXPHREPT-HOTGVXAUSA-N	2	2	299.459	2.032	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CCOC)[C@@H](C)COC	ZINC000045318898	175359020	/nfs/dbraw/zinc/35/90/20/175359020.db2.gz	XTWJRVHXPHREPT-HOTGVXAUSA-N	2	2	299.459	2.032	10	30		CEEELP
CCC[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1	ZINC000071331416	176124908	/nfs/dbraw/zinc/12/49/08/176124908.db2.gz	WEQMHVQCWRRDFB-HNNXBMFYSA-N	2	2	273.380	2.011	10	30		CEEELP
CCC[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1	ZINC000071331416	176124910	/nfs/dbraw/zinc/12/49/10/176124910.db2.gz	WEQMHVQCWRRDFB-HNNXBMFYSA-N	2	2	273.380	2.011	10	30		CEEELP
C[NH2+]CCC1CCN(c2cc(C)[nH+]cc2C#N)CC1	ZINC000399028306	270366044	/nfs/dbraw/zinc/36/60/44/270366044.db2.gz	KPQUERLPZRIYPZ-UHFFFAOYSA-N	2	2	258.369	2.088	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611474	519735855	/nfs/dbraw/zinc/73/58/55/519735855.db2.gz	QTEMECFHDVNLEN-GOEBONIOSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611474	519735856	/nfs/dbraw/zinc/73/58/56/519735856.db2.gz	QTEMECFHDVNLEN-GOEBONIOSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611667	519735872	/nfs/dbraw/zinc/73/58/72/519735872.db2.gz	IBAWXIQWNJHKLA-JKSUJKDBSA-N	2	2	280.460	2.071	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCCN1CC[NH+](CC(C)C)CC1	ZINC000055081141	520225545	/nfs/dbraw/zinc/22/55/45/520225545.db2.gz	AHVIOIZIPNXVCG-KRWDZBQOSA-N	2	2	294.487	2.322	10	30		CEEELP
CC(C)N[C@@H](C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000062435601	519733814	/nfs/dbraw/zinc/73/38/14/519733814.db2.gz	RSUOFLPWSVFYMH-MRXNPFEDSA-N	2	2	292.471	2.217	10	30		CEEELP
C=CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195258899	395462870	/nfs/dbraw/zinc/46/28/70/395462870.db2.gz	GHZQVAMWEVYTOC-ZDUSSCGKSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195258899	395462874	/nfs/dbraw/zinc/46/28/74/395462874.db2.gz	GHZQVAMWEVYTOC-ZDUSSCGKSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195258899	395462877	/nfs/dbraw/zinc/46/28/77/395462877.db2.gz	GHZQVAMWEVYTOC-ZDUSSCGKSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195258899	395462880	/nfs/dbraw/zinc/46/28/80/395462880.db2.gz	GHZQVAMWEVYTOC-ZDUSSCGKSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CCOc1ccccc1C[NH2+]CCc1[nH+]ccn1C	ZINC000040639130	174363636	/nfs/dbraw/zinc/36/36/36/174363636.db2.gz	ROVCJXORXMGNLV-UHFFFAOYSA-N	2	2	271.364	2.317	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CCc1ccncc1	ZINC000045312706	175357106	/nfs/dbraw/zinc/35/71/06/175357106.db2.gz	NPIYTTPSVQWKRX-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CCc1ccncc1	ZINC000045312706	175357107	/nfs/dbraw/zinc/35/71/07/175357107.db2.gz	NPIYTTPSVQWKRX-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](CCN(C)C)CC(C)C	ZINC000045314024	175357317	/nfs/dbraw/zinc/35/73/17/175357317.db2.gz	BIGSHSNGPSTXPS-MRXNPFEDSA-N	2	2	282.476	2.178	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCN(C)C)CC(C)C	ZINC000045314024	175357318	/nfs/dbraw/zinc/35/73/18/175357318.db2.gz	BIGSHSNGPSTXPS-MRXNPFEDSA-N	2	2	282.476	2.178	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311925	175357555	/nfs/dbraw/zinc/35/75/55/175357555.db2.gz	IITXZSILZNBZDP-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1CCOC(C)(C)C1	ZINC000045311925	175357556	/nfs/dbraw/zinc/35/75/56/175357556.db2.gz	IITXZSILZNBZDP-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](CCN(C)C)CC(C)C	ZINC000045314020	175357582	/nfs/dbraw/zinc/35/75/82/175357582.db2.gz	BIGSHSNGPSTXPS-INIZCTEOSA-N	2	2	282.476	2.178	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](CCN(C)C)CC(C)C	ZINC000045314020	175357583	/nfs/dbraw/zinc/35/75/83/175357583.db2.gz	BIGSHSNGPSTXPS-INIZCTEOSA-N	2	2	282.476	2.178	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1	ZINC000071190785	176067604	/nfs/dbraw/zinc/06/76/04/176067604.db2.gz	YTVVFOLQMOVPJS-DLBZAZTESA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1	ZINC000071190785	176067605	/nfs/dbraw/zinc/06/76/05/176067605.db2.gz	YTVVFOLQMOVPJS-DLBZAZTESA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1	ZINC000071190785	176067606	/nfs/dbraw/zinc/06/76/06/176067606.db2.gz	YTVVFOLQMOVPJS-DLBZAZTESA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1	ZINC000071190785	176067608	/nfs/dbraw/zinc/06/76/08/176067608.db2.gz	YTVVFOLQMOVPJS-DLBZAZTESA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611658	519735510	/nfs/dbraw/zinc/73/55/10/519735510.db2.gz	IBAWXIQWNJHKLA-HZPDHXFCSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615641	519739133	/nfs/dbraw/zinc/73/91/33/519739133.db2.gz	XGKNERJIGHBFEE-BBWFWOEESA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615641	519739134	/nfs/dbraw/zinc/73/91/34/519739134.db2.gz	XGKNERJIGHBFEE-BBWFWOEESA-N	2	2	292.471	2.215	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1	ZINC000068615895	520031557	/nfs/dbraw/zinc/03/15/57/520031557.db2.gz	LYRXMJWXGBHXTJ-IXDOHACOSA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615948	520101725	/nfs/dbraw/zinc/10/17/25/520101725.db2.gz	LIFRNBUQBZURHN-IKGGRYGDSA-N	2	2	292.471	2.217	10	30		CEEELP
C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1OCC#N	ZINC000049554003	524477415	/nfs/dbraw/zinc/47/74/15/524477415.db2.gz	OXVSCFFAHHARLI-ZDUSSCGKSA-N	2	2	261.369	2.019	10	30		CEEELP
CCC[NH2+][C@]1(C#N)CC[C@H](N2CC[C@H]([NH+](CC)CC)C2)C1	ZINC000093802989	184723376	/nfs/dbraw/zinc/72/33/76/184723376.db2.gz	SHJCAUBEWFHNGD-YESZJQIVSA-N	2	2	292.471	2.217	10	30		CEEELP
C=C(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195289142	395463994	/nfs/dbraw/zinc/46/39/94/395463994.db2.gz	GKAANOJWEFDHQU-MRXNPFEDSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000195289142	395463996	/nfs/dbraw/zinc/46/39/96/395463996.db2.gz	GKAANOJWEFDHQU-MRXNPFEDSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195289142	395463998	/nfs/dbraw/zinc/46/39/98/395463998.db2.gz	GKAANOJWEFDHQU-MRXNPFEDSA-N	2	2	259.397	2.411	10	30		CEEELP
C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1	ZINC000195289142	395464000	/nfs/dbraw/zinc/46/40/00/395464000.db2.gz	GKAANOJWEFDHQU-MRXNPFEDSA-N	2	2	259.397	2.411	10	30		CEEELP
CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H](C)C#N	ZINC000043684141	175093177	/nfs/dbraw/zinc/09/31/77/175093177.db2.gz	JVCRCORLUNWSTM-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H](C)C#N	ZINC000043684141	175093178	/nfs/dbraw/zinc/09/31/78/175093178.db2.gz	JVCRCORLUNWSTM-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045182545	175325733	/nfs/dbraw/zinc/32/57/33/175325733.db2.gz	ILKJDFMFLDAODW-INIZCTEOSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CC[C@@](C)(C#N)NC(C)C)CC1	ZINC000045182545	175325734	/nfs/dbraw/zinc/32/57/34/175325734.db2.gz	ILKJDFMFLDAODW-INIZCTEOSA-N	2	2	280.460	2.073	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307918	175356721	/nfs/dbraw/zinc/35/67/21/175356721.db2.gz	WTNCYWHRXRVMGD-KRWDZBQOSA-N	3	2	294.487	2.463	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307918	175356722	/nfs/dbraw/zinc/35/67/22/175356722.db2.gz	WTNCYWHRXRVMGD-KRWDZBQOSA-N	3	2	294.487	2.463	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616202	519735562	/nfs/dbraw/zinc/73/55/62/519735562.db2.gz	GMFFVRIQBIIYPX-HZPDHXFCSA-N	2	2	280.460	2.073	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611466	519739219	/nfs/dbraw/zinc/73/92/19/519739219.db2.gz	QTEMECFHDVNLEN-ZBFHGGJFSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611466	519739221	/nfs/dbraw/zinc/73/92/21/519739221.db2.gz	QTEMECFHDVNLEN-ZBFHGGJFSA-N	2	2	280.460	2.071	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070135	520102328	/nfs/dbraw/zinc/10/23/28/520102328.db2.gz	YRQNMVZQJXXIQV-IRXDYDNUSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1	ZINC000068615902	520034334	/nfs/dbraw/zinc/03/43/34/520034334.db2.gz	LYRXMJWXGBHXTJ-YESZJQIVSA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070199	520129204	/nfs/dbraw/zinc/12/92/04/520129204.db2.gz	PHGZXBJOEQGIPC-IAGOWNOFSA-N	2	2	294.487	2.465	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055069999	522120932	/nfs/dbraw/zinc/12/09/32/522120932.db2.gz	XQGUVBNWBRQTGK-HZPDHXFCSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(C#N)c1	ZINC000062803103	522336157	/nfs/dbraw/zinc/33/61/57/522336157.db2.gz	OXJZTXHFCZHQAT-AWEZNQCLSA-N	2	2	254.337	2.083	10	30		CEEELP
COc1ccc(C#CC[NH3+])cc1C[N@H+](C)Cc1ccoc1	ZINC000049609735	523512965	/nfs/dbraw/zinc/51/29/65/523512965.db2.gz	ITNOAGGLLQJUDY-UHFFFAOYSA-N	2	2	284.359	2.230	10	30		CEEELP
COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)Cc1ccoc1	ZINC000049609735	523512983	/nfs/dbraw/zinc/51/29/83/523512983.db2.gz	ITNOAGGLLQJUDY-UHFFFAOYSA-N	2	2	284.359	2.230	10	30		CEEELP
Cc1cc(NC(=O)c2cc(F)ccc2C#CC[NH3+])cc[nH+]1	ZINC000092365948	180369353	/nfs/dbraw/zinc/36/93/53/180369353.db2.gz	ZOJBKHLSZLVZOC-UHFFFAOYSA-N	2	2	283.306	2.092	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1	ZINC000177101357	165185304	/nfs/dbraw/zinc/18/53/04/165185304.db2.gz	FDBNTVMNWQPEPI-INIZCTEOSA-N	2	2	266.348	2.419	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1	ZINC000177101357	165185310	/nfs/dbraw/zinc/18/53/10/165185310.db2.gz	FDBNTVMNWQPEPI-INIZCTEOSA-N	2	2	266.348	2.419	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1	ZINC000037217602	173036255	/nfs/dbraw/zinc/03/62/55/173036255.db2.gz	HNAIECLWQJGNND-CQSZACIVSA-N	2	2	272.392	2.443	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000040600272	174350327	/nfs/dbraw/zinc/35/03/27/174350327.db2.gz	XNVYMGDIMOUBAE-CQSZACIVSA-N	2	2	282.391	2.242	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000040600272	174350329	/nfs/dbraw/zinc/35/03/29/174350329.db2.gz	XNVYMGDIMOUBAE-CQSZACIVSA-N	2	2	282.391	2.242	10	30		CEEELP
CC[N@H+](CCCC[C@](C)(C#N)[NH2+]C)[C@@H](C)COC	ZINC000045314246	175357297	/nfs/dbraw/zinc/35/72/97/175357297.db2.gz	WHMKCZILANPBDT-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[N@@H+](CCCC[C@](C)(C#N)[NH2+]C)[C@@H](C)COC	ZINC000045314246	175357299	/nfs/dbraw/zinc/35/72/99/175357299.db2.gz	WHMKCZILANPBDT-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)C1CC1	ZINC000045316731	175357884	/nfs/dbraw/zinc/35/78/84/175357884.db2.gz	YNQYSXIAAPYECL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)C1CC1	ZINC000045316731	175357885	/nfs/dbraw/zinc/35/78/85/175357885.db2.gz	YNQYSXIAAPYECL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609851	523351738	/nfs/dbraw/zinc/35/17/38/523351738.db2.gz	FDIGPPOLTGVVHK-CJNGLKHVSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609851	523351748	/nfs/dbraw/zinc/35/17/48/523351748.db2.gz	FDIGPPOLTGVVHK-CJNGLKHVSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609839	523352318	/nfs/dbraw/zinc/35/23/18/523352318.db2.gz	UBSPZENYVWSQEJ-CJNGLKHVSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609839	523352328	/nfs/dbraw/zinc/35/23/28/523352328.db2.gz	UBSPZENYVWSQEJ-CJNGLKHVSA-N	2	2	290.382	2.135	10	30		CEEELP
C=CCC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000125171063	187173155	/nfs/dbraw/zinc/17/31/55/187173155.db2.gz	GGSVAJIQBCMZSJ-CABCVRRESA-N	2	2	275.396	2.143	10	30		CEEELP
C=CCC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000125171063	187173156	/nfs/dbraw/zinc/17/31/56/187173156.db2.gz	GGSVAJIQBCMZSJ-CABCVRRESA-N	2	2	275.396	2.143	10	30		CEEELP
N#Cc1ccc(-n2c[nH+]cc2C2C[NH2+]C2)cc1Cl	ZINC000097013728	185151809	/nfs/dbraw/zinc/15/18/09/185151809.db2.gz	GJUVXWIBXQBPRW-UHFFFAOYSA-N	2	2	258.712	2.084	10	30		CEEELP
C=CCc1ccccc1OCC[N@@H+]1CCC[NH2+]CC1	ZINC000064875940	362798219	/nfs/dbraw/zinc/79/82/19/362798219.db2.gz	PRVPOFUKIOKERR-UHFFFAOYSA-N	2	2	260.381	2.089	10	30		CEEELP
C=CCc1ccccc1OCC[N@H+]1CCC[NH2+]CC1	ZINC000064875940	362798229	/nfs/dbraw/zinc/79/82/29/362798229.db2.gz	PRVPOFUKIOKERR-UHFFFAOYSA-N	2	2	260.381	2.089	10	30		CEEELP
Cc1cc(NC(=O)c2sccc2C#CC[NH3+])cc[nH+]1	ZINC000092365923	180369257	/nfs/dbraw/zinc/36/92/57/180369257.db2.gz	XBSHTUKLHNVVQB-UHFFFAOYSA-N	2	2	271.345	2.014	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CC)CCOCC	ZINC000111121652	186355261	/nfs/dbraw/zinc/35/52/61/186355261.db2.gz	HRADUGSUZAUHSF-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CC)CCOCC	ZINC000111121652	186355262	/nfs/dbraw/zinc/35/52/62/186355262.db2.gz	HRADUGSUZAUHSF-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
N#C[C@]1([NH3+])CCC[C@H]1CC[NH+]1CCc2ccccc2CC1	ZINC000093574073	184691450	/nfs/dbraw/zinc/69/14/50/184691450.db2.gz	UOHLGQBSJWKRAN-ZWKOTPCHSA-N	2	2	283.419	2.498	10	30		CEEELP
C[N@@H+](Cc1cscn1)Cc1cc(C#CC[NH3+])cs1	ZINC000043689137	175096267	/nfs/dbraw/zinc/09/62/67/175096267.db2.gz	AIXNGJBGHWJKFT-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
C[N@H+](Cc1cscn1)Cc1cc(C#CC[NH3+])cs1	ZINC000043689137	175096268	/nfs/dbraw/zinc/09/62/68/175096268.db2.gz	AIXNGJBGHWJKFT-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)[C@@H](C)COC	ZINC000045314604	175356975	/nfs/dbraw/zinc/35/69/75/175356975.db2.gz	WBESXGDPVHZEAA-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)[C@@H](C)COC	ZINC000045314604	175356976	/nfs/dbraw/zinc/35/69/76/175356976.db2.gz	WBESXGDPVHZEAA-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CCO[C@@H]1CCC[N@H+](CCCC[C@@](C)(C#N)[NH2+]C)C1	ZINC000045320631	175359406	/nfs/dbraw/zinc/35/94/06/175359406.db2.gz	JMNJWNBZIRRRQT-CABCVRRESA-N	2	2	267.417	2.159	10	30		CEEELP
CCO[C@@H]1CCC[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C)C1	ZINC000045320631	175359408	/nfs/dbraw/zinc/35/94/08/175359408.db2.gz	JMNJWNBZIRRRQT-CABCVRRESA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760828	519744746	/nfs/dbraw/zinc/74/47/46/519744746.db2.gz	ZDLKIWNSLSEBKA-INIZCTEOSA-N	2	2	286.423	2.411	10	30		CEEELP
CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760828	519744748	/nfs/dbraw/zinc/74/47/48/519744748.db2.gz	ZDLKIWNSLSEBKA-INIZCTEOSA-N	2	2	286.423	2.411	10	30		CEEELP
CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1ccc(OCC#N)cc1	ZINC000049198032	519814623	/nfs/dbraw/zinc/81/46/23/519814623.db2.gz	DKIBUYDRWVWAOO-INIZCTEOSA-N	2	2	275.396	2.265	10	30		CEEELP
CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609852	523508460	/nfs/dbraw/zinc/50/84/60/523508460.db2.gz	FDIGPPOLTGVVHK-XJKSGUPXSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609852	523508463	/nfs/dbraw/zinc/50/84/63/523508463.db2.gz	FDIGPPOLTGVVHK-XJKSGUPXSA-N	2	2	290.382	2.135	10	30		CEEELP
C=C(C)C[C@@H]([NH2+]C)C1([NH+]2CCOCC2)CCCC1	ZINC000092130260	180329799	/nfs/dbraw/zinc/32/97/99/180329799.db2.gz	ZYRGEQXDVXKABZ-CQSZACIVSA-N	2	2	252.402	2.186	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311515	175356188	/nfs/dbraw/zinc/35/61/88/175356188.db2.gz	OYFQPXYKYHNIDY-QGZVFWFLSA-N	2	2	294.487	2.465	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307884	175356691	/nfs/dbraw/zinc/35/66/91/175356691.db2.gz	KCWHHNUPDIKLEF-MRXNPFEDSA-N	3	2	280.460	2.073	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307884	175356692	/nfs/dbraw/zinc/35/66/92/175356692.db2.gz	KCWHHNUPDIKLEF-MRXNPFEDSA-N	3	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC	ZINC000045314641	175357493	/nfs/dbraw/zinc/35/74/93/175357493.db2.gz	YFDIOAGECPCYOS-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)[C@@H](C)COC	ZINC000045314641	175357494	/nfs/dbraw/zinc/35/74/94/175357494.db2.gz	YFDIOAGECPCYOS-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC	ZINC000045318859	175359052	/nfs/dbraw/zinc/35/90/52/175359052.db2.gz	XHIZYBMOYWNVCQ-HOTGVXAUSA-N	2	2	299.459	2.032	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)COC	ZINC000045318859	175359054	/nfs/dbraw/zinc/35/90/54/175359054.db2.gz	XHIZYBMOYWNVCQ-HOTGVXAUSA-N	2	2	299.459	2.032	10	30		CEEELP
C#CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)c1	ZINC000045946498	362171114	/nfs/dbraw/zinc/17/11/14/362171114.db2.gz	QXUYLCAIOQGPMB-INIZCTEOSA-N	2	2	272.392	2.273	10	30		CEEELP
C#CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)c1	ZINC000045946498	362171120	/nfs/dbraw/zinc/17/11/20/362171120.db2.gz	QXUYLCAIOQGPMB-INIZCTEOSA-N	2	2	272.392	2.273	10	30		CEEELP
C=C(CC)C[C@H]([NH3+])C1([NH+]2CCOCC2)CCCC1	ZINC000091643053	180214262	/nfs/dbraw/zinc/21/42/62/180214262.db2.gz	RSXNGHDRJTVUFT-AWEZNQCLSA-N	2	2	252.402	2.315	10	30		CEEELP
Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c(C#N)c(C)[nH+]1	ZINC000251075747	394566357	/nfs/dbraw/zinc/56/63/57/394566357.db2.gz	PBODXILEPUZZRQ-AWEZNQCLSA-N	2	2	270.380	2.245	10	30		CEEELP
Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)c(C#N)c(C)[nH+]1	ZINC000251075747	394566359	/nfs/dbraw/zinc/56/63/59/394566359.db2.gz	PBODXILEPUZZRQ-AWEZNQCLSA-N	2	2	270.380	2.245	10	30		CEEELP
Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000129089531	394858872	/nfs/dbraw/zinc/85/88/72/394858872.db2.gz	NLBZZZQMFRRHNW-ZBFHGGJFSA-N	2	2	284.407	2.491	10	30		CEEELP
Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000129089531	394858876	/nfs/dbraw/zinc/85/88/76/394858876.db2.gz	NLBZZZQMFRRHNW-ZBFHGGJFSA-N	2	2	284.407	2.491	10	30		CEEELP
C[N@@H+](Cc1cscn1)Cc1ccc(C#CC[NH3+])s1	ZINC000043684271	175092559	/nfs/dbraw/zinc/09/25/59/175092559.db2.gz	RRNNZUOBXAJVSK-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
C[N@H+](Cc1cscn1)Cc1ccc(C#CC[NH3+])s1	ZINC000043684271	175092560	/nfs/dbraw/zinc/09/25/60/175092560.db2.gz	RRNNZUOBXAJVSK-UHFFFAOYSA-N	2	2	277.418	2.147	10	30		CEEELP
CCC[NH+]1CCN(CCCC[C@](C)(C#N)[NH2+]CC)CC1	ZINC000045306464	175355612	/nfs/dbraw/zinc/35/56/12/175355612.db2.gz	RGLQKGBYPLIBNT-MRXNPFEDSA-N	2	2	280.460	2.076	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)CCc1ccncc1	ZINC000045312677	175357417	/nfs/dbraw/zinc/35/74/17/175357417.db2.gz	BGUHDYJIZCYSBL-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CCc1ccncc1	ZINC000045312677	175357418	/nfs/dbraw/zinc/35/74/18/175357418.db2.gz	BGUHDYJIZCYSBL-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](CC)C[C@@H]1CCCO1	ZINC000045315121	175358135	/nfs/dbraw/zinc/35/81/35/175358135.db2.gz	RTZGCXPBRLFCMD-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CC)C[C@@H]1CCCO1	ZINC000045315121	175358136	/nfs/dbraw/zinc/35/81/36/175358136.db2.gz	RTZGCXPBRLFCMD-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316640	175358376	/nfs/dbraw/zinc/35/83/76/175358376.db2.gz	RPJKCHWHENXHHM-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316640	175358378	/nfs/dbraw/zinc/35/83/78/175358378.db2.gz	RPJKCHWHENXHHM-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070145	520031769	/nfs/dbraw/zinc/03/17/69/520031769.db2.gz	YRQNMVZQJXXIQV-IAGOWNOFSA-N	2	2	294.487	2.465	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2)CC1	ZINC000062184287	518269620	/nfs/dbraw/zinc/26/96/20/518269620.db2.gz	YFQGDAUITXQXTJ-OAHLLOKOSA-N	2	2	256.393	2.305	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611595	520103020	/nfs/dbraw/zinc/10/30/20/520103020.db2.gz	SJCKKHHDGYCSKR-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000068612094	522511677	/nfs/dbraw/zinc/51/16/77/522511677.db2.gz	DSAANVCVKLKLCN-WBVHZDCISA-N	2	2	292.471	2.217	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CCCC[C@](C)(C#N)[NH2+]C)CC1	ZINC000055070191	523952236	/nfs/dbraw/zinc/95/22/36/523952236.db2.gz	FVTOQDVNMXNQMQ-JKSUJKDBSA-N	2	2	280.460	2.074	10	30		CEEELP
N#CC1(c2ccccc2F)CC[NH+](CCC[NH3+])CC1	ZINC000039152995	343435468	/nfs/dbraw/zinc/43/54/68/343435468.db2.gz	SFJVCMAEHRGKLE-UHFFFAOYSA-N	2	2	261.344	2.032	10	30		CEEELP
C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000128046502	187348297	/nfs/dbraw/zinc/34/82/97/187348297.db2.gz	WHMJTNIACLEYLW-LSDHHAIUSA-N	2	2	277.412	2.410	10	30		CEEELP
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000128046502	187348299	/nfs/dbraw/zinc/34/82/99/187348299.db2.gz	WHMJTNIACLEYLW-LSDHHAIUSA-N	2	2	277.412	2.410	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](C)CCc1ccccn1	ZINC000045305995	175355907	/nfs/dbraw/zinc/35/59/07/175355907.db2.gz	PHLZSZQFNIIBGT-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)CCc1ccccn1	ZINC000045305995	175355909	/nfs/dbraw/zinc/35/59/09/175355909.db2.gz	PHLZSZQFNIIBGT-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOCC1(C)C	ZINC000045317567	175358345	/nfs/dbraw/zinc/35/83/45/175358345.db2.gz	MMHXBFWURCHHOL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOCC1(C)C	ZINC000045317567	175358347	/nfs/dbraw/zinc/35/83/47/175358347.db2.gz	MMHXBFWURCHHOL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1	ZINC000071331414	176124706	/nfs/dbraw/zinc/12/47/06/176124706.db2.gz	WEQMHVQCWRRDFB-OAHLLOKOSA-N	2	2	273.380	2.011	10	30		CEEELP
CCC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1	ZINC000071331414	176124707	/nfs/dbraw/zinc/12/47/07/176124707.db2.gz	WEQMHVQCWRRDFB-OAHLLOKOSA-N	2	2	273.380	2.011	10	30		CEEELP
CC(C)C[NH+]1CCN([C@@H](C)C[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615142	519727295	/nfs/dbraw/zinc/72/72/95/519727295.db2.gz	ATQFAWFTAOSBEJ-DLBZAZTESA-N	2	2	294.487	2.319	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616182	520032802	/nfs/dbraw/zinc/03/28/02/520032802.db2.gz	MVWYKQZHHZGXIM-HZPDHXFCSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1	ZINC000068616429	520102713	/nfs/dbraw/zinc/10/27/13/520102713.db2.gz	RKHMRZXMFOYYAC-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1	ZINC000068616429	520102718	/nfs/dbraw/zinc/10/27/18/520102718.db2.gz	RKHMRZXMFOYYAC-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1	ZINC000069083301	520099927	/nfs/dbraw/zinc/09/99/27/520099927.db2.gz	QJAGHUIRBXYWOJ-DLBZAZTESA-N	2	2	292.471	2.074	10	30		CEEELP
C[N@H+](Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000069402033	523183206	/nfs/dbraw/zinc/18/32/06/523183206.db2.gz	JLVHOGPPQQYUIX-XYPWUTKMSA-N	2	2	273.355	2.412	10	30		CEEELP
C[N@@H+](Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000069402033	523183212	/nfs/dbraw/zinc/18/32/12/523183212.db2.gz	JLVHOGPPQQYUIX-XYPWUTKMSA-N	2	2	273.355	2.412	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609838	523516724	/nfs/dbraw/zinc/51/67/24/523516724.db2.gz	UBSPZENYVWSQEJ-CZUORRHYSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609838	523516736	/nfs/dbraw/zinc/51/67/36/523516736.db2.gz	UBSPZENYVWSQEJ-CZUORRHYSA-N	2	2	290.382	2.135	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1	ZINC000087045968	179388077	/nfs/dbraw/zinc/38/80/77/179388077.db2.gz	XGMZNMROYMVGBW-UHFFFAOYSA-N	2	2	278.440	2.005	10	30		CEEELP
C[NH2+][C@]1(C#N)CCC[C@H]1CC[NH+]1CCC(COC)CC1	ZINC000093573824	184692120	/nfs/dbraw/zinc/69/21/20/184692120.db2.gz	KHQXJPBWPBZRQL-HOTGVXAUSA-N	2	2	279.428	2.017	10	30		CEEELP
C[N@H+](Cc1sccc1C#CCCO)C1CC[NH+](C)CC1	ZINC000043679162	175089940	/nfs/dbraw/zinc/08/99/40/175089940.db2.gz	FNBXKBXWZPBLSS-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
C[N@@H+](Cc1sccc1C#CCCO)C1CC[NH+](C)CC1	ZINC000043679162	175089942	/nfs/dbraw/zinc/08/99/42/175089942.db2.gz	FNBXKBXWZPBLSS-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307875	175356435	/nfs/dbraw/zinc/35/64/35/175356435.db2.gz	AIJZXSVCXXLHTH-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307875	175356436	/nfs/dbraw/zinc/35/64/36/175356436.db2.gz	AIJZXSVCXXLHTH-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[NH+]1CCC(OC)CC1	ZINC000045310332	175356503	/nfs/dbraw/zinc/35/65/03/175356503.db2.gz	NXYQKKZGDIHADV-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1	ZINC000045311482	175356745	/nfs/dbraw/zinc/35/67/45/175356745.db2.gz	SCPIQNBUVCPIFY-INIZCTEOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC(CC)[N@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045319523	175359216	/nfs/dbraw/zinc/35/92/16/175359216.db2.gz	TWJCVKGGXLOPES-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC(CC)[N@@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045319523	175359218	/nfs/dbraw/zinc/35/92/18/175359218.db2.gz	TWJCVKGGXLOPES-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615633	519739474	/nfs/dbraw/zinc/73/94/74/519739474.db2.gz	XGKNERJIGHBFEE-ZACQAIPSSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615633	519739476	/nfs/dbraw/zinc/73/94/76/519739476.db2.gz	XGKNERJIGHBFEE-ZACQAIPSSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760832	519746051	/nfs/dbraw/zinc/74/60/51/519746051.db2.gz	ZDLKIWNSLSEBKA-MRXNPFEDSA-N	2	2	286.423	2.411	10	30		CEEELP
CC(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068760832	519746052	/nfs/dbraw/zinc/74/60/52/519746052.db2.gz	ZDLKIWNSLSEBKA-MRXNPFEDSA-N	2	2	286.423	2.411	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615615	520032820	/nfs/dbraw/zinc/03/28/20/520032820.db2.gz	DOWYURJAHWOHLH-GVDBMIGSSA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615615	520032826	/nfs/dbraw/zinc/03/28/26/520032826.db2.gz	DOWYURJAHWOHLH-GVDBMIGSSA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611644	520103922	/nfs/dbraw/zinc/10/39/22/520103922.db2.gz	RSJMPDMXUGOXDI-HOTGVXAUSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070127	520225220	/nfs/dbraw/zinc/22/52/20/520225220.db2.gz	WUKWMPFDRZWXCX-HOTGVXAUSA-N	2	2	280.460	2.074	10	30		CEEELP
Cn1cc[nH+]c1CC[NH2+]C1CC(C#N)(c2ccccc2)C1	ZINC000086037422	179221363	/nfs/dbraw/zinc/22/13/63/179221363.db2.gz	OOELLWWRBGMNQF-UHFFFAOYSA-N	2	2	280.375	2.176	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)noc2C)CC1	ZINC000092327408	180362959	/nfs/dbraw/zinc/36/29/59/180362959.db2.gz	KGHGKPDIFOVSFA-NSHDSACASA-N	2	2	261.369	2.040	10	30		CEEELP
C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000181559755	368470365	/nfs/dbraw/zinc/47/03/65/368470365.db2.gz	IVJCGTUPVWYVBB-PBHICJAKSA-N	2	2	287.407	2.056	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307132	175355740	/nfs/dbraw/zinc/35/57/40/175355740.db2.gz	NAWQVGAUMGDJCN-QLFBSQMISA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307132	175355741	/nfs/dbraw/zinc/35/57/41/175355741.db2.gz	NAWQVGAUMGDJCN-QLFBSQMISA-N	2	2	267.417	2.158	10	30		CEEELP
COC[C@H](C)[N@H+](C)CCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000045314614	175357063	/nfs/dbraw/zinc/35/70/63/175357063.db2.gz	UNRLUINDUSPXIC-UONOGXRCSA-N	2	2	255.406	2.014	10	30		CEEELP
COC[C@H](C)[N@@H+](C)CCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000045314614	175357065	/nfs/dbraw/zinc/35/70/65/175357065.db2.gz	UNRLUINDUSPXIC-UONOGXRCSA-N	2	2	255.406	2.014	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCCO1	ZINC000045314379	175357460	/nfs/dbraw/zinc/35/74/60/175357460.db2.gz	IXLOOVQQCWPYOH-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCCO1	ZINC000045314379	175357461	/nfs/dbraw/zinc/35/74/61/175357461.db2.gz	IXLOOVQQCWPYOH-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC	ZINC000045314654	175357485	/nfs/dbraw/zinc/35/74/85/175357485.db2.gz	XTZUTUYLAVAMTF-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)[C@@H](C)COC	ZINC000045314654	175357486	/nfs/dbraw/zinc/35/74/86/175357486.db2.gz	XTZUTUYLAVAMTF-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
COCCC[N@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045317030	175357853	/nfs/dbraw/zinc/35/78/53/175357853.db2.gz	WLBHOXDDTXGJRU-MRXNPFEDSA-N	2	2	299.459	2.032	10	30		CEEELP
COCCC[N@@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045317030	175357854	/nfs/dbraw/zinc/35/78/54/175357854.db2.gz	WLBHOXDDTXGJRU-MRXNPFEDSA-N	2	2	299.459	2.032	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@H+](CC)CCOC	ZINC000045316923	175357926	/nfs/dbraw/zinc/35/79/26/175357926.db2.gz	JCXJCFPJEUOKGW-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CC)CCOC	ZINC000045316923	175357928	/nfs/dbraw/zinc/35/79/28/175357928.db2.gz	JCXJCFPJEUOKGW-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CC[NH+](C)C1	ZINC000071189106	176064718	/nfs/dbraw/zinc/06/47/18/176064718.db2.gz	GNKWPCOOUAQLQC-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CC[NH+](C)C1	ZINC000071189106	176064719	/nfs/dbraw/zinc/06/47/19/176064719.db2.gz	GNKWPCOOUAQLQC-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1ccc(C#N)cc1F)C[C@H]1CC[N@H+](C)C1	ZINC000071189106	176064721	/nfs/dbraw/zinc/06/47/21/176064721.db2.gz	GNKWPCOOUAQLQC-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1ccc(C#N)cc1F)C[C@H]1CC[N@@H+](C)C1	ZINC000071189106	176064722	/nfs/dbraw/zinc/06/47/22/176064722.db2.gz	GNKWPCOOUAQLQC-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070133	520127835	/nfs/dbraw/zinc/12/78/35/520127835.db2.gz	WUKWMPFDRZWXCX-JKSUJKDBSA-N	2	2	280.460	2.074	10	30		CEEELP
CC(C)N[C@H](C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000062435598	519738003	/nfs/dbraw/zinc/73/80/03/519738003.db2.gz	RSUOFLPWSVFYMH-INIZCTEOSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068612946	521566941	/nfs/dbraw/zinc/56/69/41/521566941.db2.gz	ICBWIZLKTWJZPB-RDJZCZTQSA-N	2	2	294.487	2.461	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068612946	521566947	/nfs/dbraw/zinc/56/69/47/521566947.db2.gz	ICBWIZLKTWJZPB-RDJZCZTQSA-N	2	2	294.487	2.461	10	30		CEEELP
C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC)CCO2)cc1	ZINC000134439703	344374308	/nfs/dbraw/zinc/37/43/08/344374308.db2.gz	JISDNBQXCMXUJQ-QGZVFWFLSA-N	2	2	290.407	2.062	10	30		CEEELP
C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC)CCO2)cc1	ZINC000134439703	344374311	/nfs/dbraw/zinc/37/43/11/344374311.db2.gz	JISDNBQXCMXUJQ-QGZVFWFLSA-N	2	2	290.407	2.062	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907045	180061358	/nfs/dbraw/zinc/06/13/58/180061358.db2.gz	JKBNWUURGQEARG-XHSDSOJGSA-N	2	2	279.428	2.302	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907045	180061360	/nfs/dbraw/zinc/06/13/60/180061360.db2.gz	JKBNWUURGQEARG-XHSDSOJGSA-N	2	2	279.428	2.302	10	30		CEEELP
C[C@]([NH3+])(C#N)CCCC[N@@H+]1CCc2ccccc2C1	ZINC000045307620	175355978	/nfs/dbraw/zinc/35/59/78/175355978.db2.gz	APVGOMHBQJOZBU-MRXNPFEDSA-N	2	2	257.381	2.456	10	30		CEEELP
C[C@]([NH3+])(C#N)CCCC[N@H+]1CCc2ccccc2C1	ZINC000045307620	175355979	/nfs/dbraw/zinc/35/59/79/175355979.db2.gz	APVGOMHBQJOZBU-MRXNPFEDSA-N	2	2	257.381	2.456	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1	ZINC000045311480	175356148	/nfs/dbraw/zinc/35/61/48/175356148.db2.gz	DGVPHMHVVGFVFJ-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317142	175358083	/nfs/dbraw/zinc/35/80/83/175358083.db2.gz	REQSUPQAXLZQMA-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317142	175358085	/nfs/dbraw/zinc/35/80/85/175358085.db2.gz	REQSUPQAXLZQMA-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[N@H+](CCCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316932	175358410	/nfs/dbraw/zinc/35/84/10/175358410.db2.gz	AULXCZLJTDSRIX-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[N@@H+](CCCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316932	175358411	/nfs/dbraw/zinc/35/84/11/175358411.db2.gz	AULXCZLJTDSRIX-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
COCC[N@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045318870	175358789	/nfs/dbraw/zinc/35/87/89/175358789.db2.gz	RBMHBFVNFBBUJJ-JKSUJKDBSA-N	2	2	299.459	2.030	10	30		CEEELP
COCC[N@@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045318870	175358791	/nfs/dbraw/zinc/35/87/91/175358791.db2.gz	RBMHBFVNFBBUJJ-JKSUJKDBSA-N	2	2	299.459	2.030	10	30		CEEELP
COc1cccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)c1	ZINC000262014289	329997369	/nfs/dbraw/zinc/99/73/69/329997369.db2.gz	VICANZNODRXAEZ-UHFFFAOYSA-N	2	2	299.378	2.155	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615645	519735745	/nfs/dbraw/zinc/73/57/45/519735745.db2.gz	XGKNERJIGHBFEE-GVDBMIGSSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615645	519735746	/nfs/dbraw/zinc/73/57/46/519735746.db2.gz	XGKNERJIGHBFEE-GVDBMIGSSA-N	2	2	292.471	2.215	10	30		CEEELP
Cc1cc(NC(=O)c2cc(C#CC[NH3+])ccc2C)cc[nH+]1	ZINC000092365949	180369382	/nfs/dbraw/zinc/36/93/82/180369382.db2.gz	PQYJMTDVCFYGOX-UHFFFAOYSA-N	2	2	279.343	2.261	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1	ZINC000037217601	173035581	/nfs/dbraw/zinc/03/55/81/173035581.db2.gz	HNAIECLWQJGNND-AWEZNQCLSA-N	2	2	272.392	2.443	10	30		CEEELP
C[N@H+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747123	174392542	/nfs/dbraw/zinc/39/25/42/174392542.db2.gz	DGNDJFBNVUYFLS-YIONKMFJSA-N	2	2	273.355	2.412	10	30		CEEELP
C[N@@H+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040747123	174392543	/nfs/dbraw/zinc/39/25/43/174392543.db2.gz	DGNDJFBNVUYFLS-YIONKMFJSA-N	2	2	273.355	2.412	10	30		CEEELP
CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H](C)C#N	ZINC000043684142	175092812	/nfs/dbraw/zinc/09/28/12/175092812.db2.gz	JVCRCORLUNWSTM-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H](C)C#N	ZINC000043684142	175092814	/nfs/dbraw/zinc/09/28/14/175092814.db2.gz	JVCRCORLUNWSTM-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[C@@H]1C[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCO1	ZINC000045310738	175356567	/nfs/dbraw/zinc/35/65/67/175356567.db2.gz	YJHXUJRNLDPWKH-CABCVRRESA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@@H]1C[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCO1	ZINC000045310738	175356568	/nfs/dbraw/zinc/35/65/68/175356568.db2.gz	YJHXUJRNLDPWKH-CABCVRRESA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CCCC[C@](C)(C#N)[NH2+]C)CC1	ZINC000045317182	175358193	/nfs/dbraw/zinc/35/81/93/175358193.db2.gz	MOJKKHLLHDHKTA-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CCCC[C@](C)(C#N)[NH2+]C)CC1	ZINC000045317182	175358195	/nfs/dbraw/zinc/35/81/95/175358195.db2.gz	MOJKKHLLHDHKTA-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
Cc1cc(NCC[NH2+]C2CCCCCC2)c(C#N)c[nH+]1	ZINC000399123690	267300320	/nfs/dbraw/zinc/30/03/20/267300320.db2.gz	QMZWREOTLGYOJD-UHFFFAOYSA-N	2	2	272.396	2.408	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613182	520102641	/nfs/dbraw/zinc/10/26/41/520102641.db2.gz	HIYBRZDEMFDZRU-RDJZCZTQSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611456	520102555	/nfs/dbraw/zinc/10/25/55/520102555.db2.gz	OXPMFUUJJFWHAG-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611456	520102561	/nfs/dbraw/zinc/10/25/61/520102561.db2.gz	OXPMFUUJJFWHAG-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611451	520103565	/nfs/dbraw/zinc/10/35/65/520103565.db2.gz	OXPMFUUJJFWHAG-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611451	520103575	/nfs/dbraw/zinc/10/35/75/520103575.db2.gz	OXPMFUUJJFWHAG-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
C[N@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609301	523462536	/nfs/dbraw/zinc/46/25/36/523462536.db2.gz	GAWKTYJXFGNQCN-UHFFFAOYSA-N	2	2	283.350	2.163	10	30		CEEELP
C[N@@H+](Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609301	523462543	/nfs/dbraw/zinc/46/25/43/523462543.db2.gz	GAWKTYJXFGNQCN-UHFFFAOYSA-N	2	2	283.350	2.163	10	30		CEEELP
C=C(Cl)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000328319162	631532618	/nfs/dbraw/zinc/53/26/18/631532618.db2.gz	DGKQHQMHNPOCMB-KGLIPLIRSA-N	2	2	250.773	2.413	10	30		CEEELP
C=C(Cl)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1	ZINC000328319162	631532626	/nfs/dbraw/zinc/53/26/26/631532626.db2.gz	DGKQHQMHNPOCMB-KGLIPLIRSA-N	2	2	250.773	2.413	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169157	186365436	/nfs/dbraw/zinc/36/54/36/186365436.db2.gz	UZQDRUBPTYHQAX-JKSUJKDBSA-N	2	2	281.444	2.407	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169157	186365437	/nfs/dbraw/zinc/36/54/37/186365437.db2.gz	UZQDRUBPTYHQAX-JKSUJKDBSA-N	2	2	281.444	2.407	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169288	186365997	/nfs/dbraw/zinc/36/59/97/186365997.db2.gz	BZVSSDDYWOUHAG-MRXNPFEDSA-N	2	2	281.444	2.405	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169288	186365999	/nfs/dbraw/zinc/36/59/99/186365999.db2.gz	BZVSSDDYWOUHAG-MRXNPFEDSA-N	2	2	281.444	2.405	10	30		CEEELP
CC#CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254329	395463238	/nfs/dbraw/zinc/46/32/38/395463238.db2.gz	JOPOVCHLPHCPAE-AWEZNQCLSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254329	395463241	/nfs/dbraw/zinc/46/32/41/395463241.db2.gz	JOPOVCHLPHCPAE-AWEZNQCLSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195254329	395463243	/nfs/dbraw/zinc/46/32/43/395463243.db2.gz	JOPOVCHLPHCPAE-AWEZNQCLSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195254329	395463246	/nfs/dbraw/zinc/46/32/46/395463246.db2.gz	JOPOVCHLPHCPAE-AWEZNQCLSA-N	2	2	277.437	2.229	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307878	175356522	/nfs/dbraw/zinc/35/65/22/175356522.db2.gz	AIJZXSVCXXLHTH-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307878	175356524	/nfs/dbraw/zinc/35/65/24/175356524.db2.gz	AIJZXSVCXXLHTH-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C	ZINC000045313987	175357560	/nfs/dbraw/zinc/35/75/60/175357560.db2.gz	FOTVOYDNHRMLTB-INIZCTEOSA-N	2	2	282.476	2.178	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCN(C)C)CC(C)C	ZINC000045313987	175357561	/nfs/dbraw/zinc/35/75/61/175357561.db2.gz	FOTVOYDNHRMLTB-INIZCTEOSA-N	2	2	282.476	2.178	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055069995	523954083	/nfs/dbraw/zinc/95/40/83/523954083.db2.gz	XQGUVBNWBRQTGK-HOTGVXAUSA-N	2	2	280.460	2.073	10	30		CEEELP
C=CC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1	ZINC000092473752	180392856	/nfs/dbraw/zinc/39/28/56/180392856.db2.gz	GJLLQASKJZGPLD-UHFFFAOYSA-N	2	2	290.754	2.240	10	30		CEEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N	ZINC000178285646	395164886	/nfs/dbraw/zinc/16/48/86/395164886.db2.gz	QCODXMMKDMHAQH-LSDHHAIUSA-N	2	2	271.368	2.099	10	30		CEEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C#N)CCC#N	ZINC000178285646	395164888	/nfs/dbraw/zinc/16/48/88/395164888.db2.gz	QCODXMMKDMHAQH-LSDHHAIUSA-N	2	2	271.368	2.099	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC	ZINC000045314646	175357196	/nfs/dbraw/zinc/35/71/96/175357196.db2.gz	YFDIOAGECPCYOS-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)[C@@H](C)COC	ZINC000045314646	175357197	/nfs/dbraw/zinc/35/71/97/175357197.db2.gz	YFDIOAGECPCYOS-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1	ZINC000045314337	175357247	/nfs/dbraw/zinc/35/72/47/175357247.db2.gz	NZWSDLDLFVGPGX-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCCO1	ZINC000045314337	175357248	/nfs/dbraw/zinc/35/72/48/175357248.db2.gz	NZWSDLDLFVGPGX-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CC)[C@@H](C)COC	ZINC000045314254	175357336	/nfs/dbraw/zinc/35/73/36/175357336.db2.gz	XWMLIEHAHAZCJM-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314254	175357337	/nfs/dbraw/zinc/35/73/37/175357337.db2.gz	XWMLIEHAHAZCJM-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](CCOC)CC(C)C	ZINC000045315011	175357424	/nfs/dbraw/zinc/35/74/24/175357424.db2.gz	JOSINAYNCSELJD-HNNXBMFYSA-N	2	2	269.433	2.263	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](CCOC)CC(C)C	ZINC000045315011	175357426	/nfs/dbraw/zinc/35/74/26/175357426.db2.gz	JOSINAYNCSELJD-HNNXBMFYSA-N	2	2	269.433	2.263	10	30		CEEELP
CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000156580137	273642791	/nfs/dbraw/zinc/64/27/91/273642791.db2.gz	XBAVEJUOFPTBBT-AWEZNQCLSA-N	2	2	272.396	2.491	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611601	520031315	/nfs/dbraw/zinc/03/13/15/520031315.db2.gz	SJCKKHHDGYCSKR-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[N@H+](Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000061659575	521691136	/nfs/dbraw/zinc/69/11/36/521691136.db2.gz	YPQTUYKMTVQYII-XYPWUTKMSA-N	2	2	284.407	2.448	10	30		CEEELP
CCC[N@@H+](Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000061659575	521691138	/nfs/dbraw/zinc/69/11/38/521691138.db2.gz	YPQTUYKMTVQYII-XYPWUTKMSA-N	2	2	284.407	2.448	10	30		CEEELP
CC(C)(C#N)CCC[NH+]1CCN(c2ccc(N)[nH+]c2)CC1	ZINC000087599507	534982685	/nfs/dbraw/zinc/98/26/85/534982685.db2.gz	SOXOFHOIBMLCCU-UHFFFAOYSA-N	2	2	287.411	2.116	10	30		CEEELP
Cc1cc(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)cc[nH+]1	ZINC000092365928	180369216	/nfs/dbraw/zinc/36/92/16/180369216.db2.gz	IYQBYRSPNNZGGR-UHFFFAOYSA-N	2	2	283.306	2.092	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C	ZINC000111144241	186358866	/nfs/dbraw/zinc/35/88/66/186358866.db2.gz	QIYHIJXDVNZFAL-MRXNPFEDSA-N	3	2	282.476	2.320	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C	ZINC000111144241	186358868	/nfs/dbraw/zinc/35/88/68/186358868.db2.gz	QIYHIJXDVNZFAL-MRXNPFEDSA-N	3	2	282.476	2.320	10	30		CEEELP
Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)c(C#N)c(C)[nH+]1	ZINC000227593536	370373438	/nfs/dbraw/zinc/37/34/38/370373438.db2.gz	YESXNBOHHVXMFR-NSHDSACASA-N	2	2	258.369	2.465	10	30		CEEELP
Cc1cc(NC[C@H](C)[N@@H+](C)C2CC2)c(C#N)c(C)[nH+]1	ZINC000227593536	370373442	/nfs/dbraw/zinc/37/34/42/370373442.db2.gz	YESXNBOHHVXMFR-NSHDSACASA-N	2	2	258.369	2.465	10	30		CEEELP
C=CC[N@@H+](Cc1noc(C[NH3+])n1)CC1CCCCC1	ZINC000261816985	371741713	/nfs/dbraw/zinc/74/17/13/371741713.db2.gz	RYQAKEQZYWIGAY-UHFFFAOYSA-N	2	2	264.373	2.097	10	30		CEEELP
C=CC[N@H+](Cc1noc(C[NH3+])n1)CC1CCCCC1	ZINC000261816985	371741724	/nfs/dbraw/zinc/74/17/24/371741724.db2.gz	RYQAKEQZYWIGAY-UHFFFAOYSA-N	2	2	264.373	2.097	10	30		CEEELP
Cc1cc(N2CC[NH+](C(C)C)CC2)c(C#N)c(C)[nH+]1	ZINC000157396147	395034906	/nfs/dbraw/zinc/03/49/06/395034906.db2.gz	AAAKHCCYBUBRJY-UHFFFAOYSA-N	2	2	258.369	2.101	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000045307109	175356025	/nfs/dbraw/zinc/35/60/25/175356025.db2.gz	JDRAZPOTMWRTDA-KKUMJFAQSA-N	2	2	267.417	2.156	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CC)[C@@H](C)COC	ZINC000045314250	175357623	/nfs/dbraw/zinc/35/76/23/175357623.db2.gz	XWMLIEHAHAZCJM-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314250	175357625	/nfs/dbraw/zinc/35/76/25/175357625.db2.gz	XWMLIEHAHAZCJM-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315814	175358048	/nfs/dbraw/zinc/35/80/48/175358048.db2.gz	GBFSRBLFRDRBND-KRWDZBQOSA-N	3	2	294.487	2.322	10	30		CEEELP
Cc1cc(N2CC[NH+](CC(C)C)CC2)c(C#N)c(C)[nH+]1	ZINC000156575188	280558474	/nfs/dbraw/zinc/55/84/74/280558474.db2.gz	WQIMWCNVGPMMEZ-UHFFFAOYSA-N	2	2	272.396	2.348	10	30		CEEELP
CC(C)C[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055081122	519726234	/nfs/dbraw/zinc/72/62/34/519726234.db2.gz	XFWPDIBMZGMFMA-QGZVFWFLSA-N	2	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055069989	520031506	/nfs/dbraw/zinc/03/15/06/520031506.db2.gz	UXMHLNZMCGFMGU-HZPDHXFCSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068614986	520032869	/nfs/dbraw/zinc/03/28/69/520032869.db2.gz	GATUIHQXWVJPFO-GVDBMIGSSA-N	2	2	294.487	2.463	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+]CC[NH+]2CCCC2)C1	ZINC000086036359	179221407	/nfs/dbraw/zinc/22/14/07/179221407.db2.gz	LRNKDKUVNGRQRS-UHFFFAOYSA-N	2	2	269.392	2.296	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1	ZINC000037231480	173050240	/nfs/dbraw/zinc/05/02/40/173050240.db2.gz	TTXCPAAJPZUCGG-HNNXBMFYSA-N	2	2	256.393	2.477	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)COc2ccc(C)cc2)CC1	ZINC000040499608	174296552	/nfs/dbraw/zinc/29/65/52/174296552.db2.gz	RKPWTQXSVRYESY-MRXNPFEDSA-N	2	2	286.419	2.450	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000040600270	174350236	/nfs/dbraw/zinc/35/02/36/174350236.db2.gz	XNVYMGDIMOUBAE-AWEZNQCLSA-N	2	2	282.391	2.242	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000040600270	174350237	/nfs/dbraw/zinc/35/02/37/174350237.db2.gz	XNVYMGDIMOUBAE-AWEZNQCLSA-N	2	2	282.391	2.242	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307099	175355503	/nfs/dbraw/zinc/35/55/03/175355503.db2.gz	RBNOWZXAEPYKPO-ZNMIVQPWSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307099	175355505	/nfs/dbraw/zinc/35/55/05/175355505.db2.gz	RBNOWZXAEPYKPO-ZNMIVQPWSA-N	2	2	267.417	2.158	10	30		CEEELP
C[N@H+](CCCC[C@](C)(C#N)[NH2+]C1CC1)C1CCOCC1	ZINC000045311860	175357359	/nfs/dbraw/zinc/35/73/59/175357359.db2.gz	XSRZCTGZVTWQFS-MRXNPFEDSA-N	2	2	279.428	2.302	10	30		CEEELP
C[N@@H+](CCCC[C@](C)(C#N)[NH2+]C1CC1)C1CCOCC1	ZINC000045311860	175357360	/nfs/dbraw/zinc/35/73/60/175357360.db2.gz	XSRZCTGZVTWQFS-MRXNPFEDSA-N	2	2	279.428	2.302	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1	ZINC000045314342	175357506	/nfs/dbraw/zinc/35/75/06/175357506.db2.gz	NZWSDLDLFVGPGX-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCCO1	ZINC000045314342	175357507	/nfs/dbraw/zinc/35/75/07/175357507.db2.gz	NZWSDLDLFVGPGX-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[N@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316886	175358155	/nfs/dbraw/zinc/35/81/55/175358155.db2.gz	IQEIQIZQTBWEFQ-CQSZACIVSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316886	175358157	/nfs/dbraw/zinc/35/81/57/175358157.db2.gz	IQEIQIZQTBWEFQ-CQSZACIVSA-N	2	2	255.406	2.015	10	30		CEEELP
COCC[N@H+](C)CCCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000045319041	175359204	/nfs/dbraw/zinc/35/92/04/175359204.db2.gz	TXRQPAMKHCRSEH-CQSZACIVSA-N	2	2	255.406	2.015	10	30		CEEELP
COCC[N@@H+](C)CCCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000045319041	175359205	/nfs/dbraw/zinc/35/92/05/175359205.db2.gz	TXRQPAMKHCRSEH-CQSZACIVSA-N	2	2	255.406	2.015	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1	ZINC000071190784	176067763	/nfs/dbraw/zinc/06/77/63/176067763.db2.gz	YTVVFOLQMOVPJS-IRXDYDNUSA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1	ZINC000071190784	176067764	/nfs/dbraw/zinc/06/77/64/176067764.db2.gz	YTVVFOLQMOVPJS-IRXDYDNUSA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1	ZINC000071190784	176067766	/nfs/dbraw/zinc/06/77/66/176067766.db2.gz	YTVVFOLQMOVPJS-IRXDYDNUSA-N	3	2	294.487	2.320	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1	ZINC000071190784	176067767	/nfs/dbraw/zinc/06/77/67/176067767.db2.gz	YTVVFOLQMOVPJS-IRXDYDNUSA-N	3	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](CCC)CC1	ZINC000068611226	520102824	/nfs/dbraw/zinc/10/28/24/520102824.db2.gz	OBFAVQCOMIJCPD-CVEARBPZSA-N	2	2	280.460	2.074	10	30		CEEELP
C=CC[C@@H]([NH2+]CC)C1([NH+]2CCOCC2)CCCC1	ZINC000091646292	180215544	/nfs/dbraw/zinc/21/55/44/180215544.db2.gz	IUJUFHNWSSBOOP-CQSZACIVSA-N	2	2	252.402	2.186	10	30		CEEELP
Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(C#N)c(C)[nH+]1	ZINC000301785999	201196681	/nfs/dbraw/zinc/19/66/81/201196681.db2.gz	PASSOXYLIZZELS-CYBMUJFWSA-N	2	2	258.369	2.465	10	30		CEEELP
Cc1cc(N[C@@H]2CC[N@H+](C(C)C)C2)c(C#N)c(C)[nH+]1	ZINC000301785999	201196685	/nfs/dbraw/zinc/19/66/85/201196685.db2.gz	PASSOXYLIZZELS-CYBMUJFWSA-N	2	2	258.369	2.465	10	30		CEEELP
C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000245990856	370897458	/nfs/dbraw/zinc/89/74/58/370897458.db2.gz	GGSVAJIQBCMZSJ-GJZGRUSLSA-N	2	2	275.396	2.143	10	30		CEEELP
C=CCC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000245990856	370897461	/nfs/dbraw/zinc/89/74/61/370897461.db2.gz	GGSVAJIQBCMZSJ-GJZGRUSLSA-N	2	2	275.396	2.143	10	30		CEEELP
C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000181559790	368470399	/nfs/dbraw/zinc/47/03/99/368470399.db2.gz	IVJCGTUPVWYVBB-RHSMWYFYSA-N	2	2	287.407	2.056	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318477	175359000	/nfs/dbraw/zinc/35/90/00/175359000.db2.gz	KPWZUWRAORTIAL-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613207	519735524	/nfs/dbraw/zinc/73/55/24/519735524.db2.gz	UFSAITGYUNGBES-NVXWUHKLSA-N	2	2	294.487	2.461	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055070155	522117908	/nfs/dbraw/zinc/11/79/08/522117908.db2.gz	UNZLFSIFHJTRMF-IAGOWNOFSA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1	ZINC000068615894	520102385	/nfs/dbraw/zinc/10/23/85/520102385.db2.gz	LYRXMJWXGBHXTJ-IKGGRYGDSA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1	ZINC000055081118	520031465	/nfs/dbraw/zinc/03/14/65/520031465.db2.gz	DKZAULSSSYKTTI-QGZVFWFLSA-N	2	2	294.487	2.322	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613187	520225311	/nfs/dbraw/zinc/22/53/11/520225311.db2.gz	ARHCMDJGXNXRQV-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169018	186365675	/nfs/dbraw/zinc/36/56/75/186365675.db2.gz	ICDLAQOJABMONU-HOTGVXAUSA-N	2	2	281.444	2.407	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169018	186365676	/nfs/dbraw/zinc/36/56/76/186365676.db2.gz	ICDLAQOJABMONU-HOTGVXAUSA-N	2	2	281.444	2.407	10	30		CEEELP
C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1	ZINC000389140414	375298114	/nfs/dbraw/zinc/29/81/14/375298114.db2.gz	GXHXVPVRURTDDG-OAHLLOKOSA-N	2	2	260.381	2.435	10	30		CEEELP
C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1	ZINC000389140414	375298122	/nfs/dbraw/zinc/29/81/22/375298122.db2.gz	GXHXVPVRURTDDG-OAHLLOKOSA-N	2	2	260.381	2.435	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCO[C@@H](CC)C1	ZINC000045310768	175356667	/nfs/dbraw/zinc/35/66/67/175356667.db2.gz	WHDRNHWFKHPUIM-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCO[C@@H](CC)C1	ZINC000045310768	175356668	/nfs/dbraw/zinc/35/66/68/175356668.db2.gz	WHDRNHWFKHPUIM-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318438	175358961	/nfs/dbraw/zinc/35/89/61/175358961.db2.gz	SYWDPLWHGMXPGK-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCC#N)C1	ZINC000195278810	262248652	/nfs/dbraw/zinc/24/86/52/262248652.db2.gz	ZNJMVKDOYRCQBV-MRXNPFEDSA-N	2	2	272.396	2.139	10	30		CEEELP
C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCC#N)C1	ZINC000195278810	262248653	/nfs/dbraw/zinc/24/86/53/262248653.db2.gz	ZNJMVKDOYRCQBV-MRXNPFEDSA-N	2	2	272.396	2.139	10	30		CEEELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCC#N)C1	ZINC000195278810	262248655	/nfs/dbraw/zinc/24/86/55/262248655.db2.gz	ZNJMVKDOYRCQBV-MRXNPFEDSA-N	2	2	272.396	2.139	10	30		CEEELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCC#N)C1	ZINC000195278810	262248656	/nfs/dbraw/zinc/24/86/56/262248656.db2.gz	ZNJMVKDOYRCQBV-MRXNPFEDSA-N	2	2	272.396	2.139	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCN1CC[C@H]([NH+]2CCCCC2)C1	ZINC000062982529	520032290	/nfs/dbraw/zinc/03/22/90/520032290.db2.gz	STEAERPDAYYAKO-DLBZAZTESA-N	2	2	292.471	2.219	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CCCC2)CC1	ZINC000068614865	520225285	/nfs/dbraw/zinc/22/52/85/520225285.db2.gz	MWDNEQYUPAUWPX-WBVHZDCISA-N	2	2	292.471	2.217	10	30		CEEELP
CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)C1	ZINC000068615921	520848523	/nfs/dbraw/zinc/84/85/23/520848523.db2.gz	DPVDLKRGBHSUAL-BBWFWOEESA-N	2	2	294.487	2.461	10	30		CEEELP
Cc1cc(NCC[NH+]2CCCCC2)c(C#N)c(C)[nH+]1	ZINC000211682604	370162946	/nfs/dbraw/zinc/16/29/46/370162946.db2.gz	GFGIJAIPTUXOBI-UHFFFAOYSA-N	2	2	258.369	2.468	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307130	175355783	/nfs/dbraw/zinc/35/57/83/175355783.db2.gz	NAWQVGAUMGDJCN-ZNMIVQPWSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307130	175355784	/nfs/dbraw/zinc/35/57/84/175355784.db2.gz	NAWQVGAUMGDJCN-ZNMIVQPWSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311512	175356844	/nfs/dbraw/zinc/35/68/44/175356844.db2.gz	OYFQPXYKYHNIDY-KRWDZBQOSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316600	175357788	/nfs/dbraw/zinc/35/77/88/175357788.db2.gz	HWJLBXMMHGOJGQ-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316600	175357789	/nfs/dbraw/zinc/35/77/89/175357789.db2.gz	HWJLBXMMHGOJGQ-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315784	175358297	/nfs/dbraw/zinc/35/82/97/175358297.db2.gz	LRNRCGFPUKMFCC-QGZVFWFLSA-N	3	2	294.487	2.320	10	30		CEEELP
CC[NH+](CC)[C@@H]1CCN(C[C@](C#N)([NH2+]C(C)C)C2CC2)C1	ZINC000069083271	520846471	/nfs/dbraw/zinc/84/64/71/520846471.db2.gz	JHVBHPYIEQIKGR-SJORKVTESA-N	2	2	292.471	2.073	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055070152	523952398	/nfs/dbraw/zinc/95/23/98/523952398.db2.gz	UNZLFSIFHJTRMF-IRXDYDNUSA-N	2	2	294.487	2.463	10	30		CEEELP
C#CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)c1	ZINC000045946495	362171924	/nfs/dbraw/zinc/17/19/24/362171924.db2.gz	QXUYLCAIOQGPMB-MRXNPFEDSA-N	2	2	272.392	2.273	10	30		CEEELP
C#CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)c1	ZINC000045946495	362171925	/nfs/dbraw/zinc/17/19/25/362171925.db2.gz	QXUYLCAIOQGPMB-MRXNPFEDSA-N	2	2	272.392	2.273	10	30		CEEELP
Cc1cc(N2CCC([NH+](C)C)CC2)c(C#N)c(C)[nH+]1	ZINC000157396340	395035099	/nfs/dbraw/zinc/03/50/99/395035099.db2.gz	SKLVTNFCUPAXIB-UHFFFAOYSA-N	2	2	258.369	2.101	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CCOCC1	ZINC000045311820	175356327	/nfs/dbraw/zinc/35/63/27/175356327.db2.gz	NETXQOBDZBJNCW-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CCOCC1	ZINC000045311820	175356328	/nfs/dbraw/zinc/35/63/28/175356328.db2.gz	NETXQOBDZBJNCW-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC	ZINC000045314222	175357501	/nfs/dbraw/zinc/35/75/01/175357501.db2.gz	JATIJMCLUHNAGL-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314222	175357502	/nfs/dbraw/zinc/35/75/02/175357502.db2.gz	JATIJMCLUHNAGL-LSDHHAIUSA-N	2	2	269.433	2.405	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C	ZINC000045317536	175357970	/nfs/dbraw/zinc/35/79/70/175357970.db2.gz	JMJDISCYICTKDI-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1CCOCC1(C)C	ZINC000045317536	175357971	/nfs/dbraw/zinc/35/79/71/175357971.db2.gz	JMJDISCYICTKDI-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318454	175358905	/nfs/dbraw/zinc/35/89/05/175358905.db2.gz	YHOJBEUICGLGCJ-KRWDZBQOSA-N	2	2	294.487	2.463	10	30		CEEELP
C#CCOc1ccccc1C[NH2+][C@@H](C)CC[NH+](C)C	ZINC000049553583	518333708	/nfs/dbraw/zinc/33/37/08/518333708.db2.gz	OOPKIMIAOQTWSG-AWEZNQCLSA-N	2	2	260.381	2.128	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CCCC[C@@](C)(C#N)[NH2+]C)CC1	ZINC000055070185	523953064	/nfs/dbraw/zinc/95/30/64/523953064.db2.gz	FVTOQDVNMXNQMQ-HOTGVXAUSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1	ZINC000328628556	344756568	/nfs/dbraw/zinc/75/65/68/344756568.db2.gz	NVXCQLCRRWWXAZ-ZIAGYGMSSA-N	2	2	290.411	2.276	10	30		CEEELP
CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCn2cc[nH+]c2C1	ZINC000328628556	344756569	/nfs/dbraw/zinc/75/65/69/344756569.db2.gz	NVXCQLCRRWWXAZ-ZIAGYGMSSA-N	2	2	290.411	2.276	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+](C)CCC[NH+](C)C	ZINC000111144228	186359436	/nfs/dbraw/zinc/35/94/36/186359436.db2.gz	NTQIEMWWDCEMBO-INIZCTEOSA-N	3	2	282.476	2.322	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CCC[NH+](C)C	ZINC000111144228	186359437	/nfs/dbraw/zinc/35/94/37/186359437.db2.gz	NTQIEMWWDCEMBO-INIZCTEOSA-N	3	2	282.476	2.322	10	30		CEEELP
Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C#N)c(C)[nH+]1	ZINC000156591140	395033272	/nfs/dbraw/zinc/03/32/72/395033272.db2.gz	YGWFSVLWLPFQTM-KGLIPLIRSA-N	2	2	270.380	2.243	10	30		CEEELP
Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C#N)c(C)[nH+]1	ZINC000156591140	395033276	/nfs/dbraw/zinc/03/32/76/395033276.db2.gz	YGWFSVLWLPFQTM-KGLIPLIRSA-N	2	2	270.380	2.243	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CCOCC1	ZINC000045311823	175356135	/nfs/dbraw/zinc/35/61/35/175356135.db2.gz	NETXQOBDZBJNCW-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CCOCC1	ZINC000045311823	175356137	/nfs/dbraw/zinc/35/61/37/175356137.db2.gz	NETXQOBDZBJNCW-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317146	175358226	/nfs/dbraw/zinc/35/82/26/175358226.db2.gz	CAHNDPBNHGMVPS-KRWDZBQOSA-N	3	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317146	175358227	/nfs/dbraw/zinc/35/82/27/175358227.db2.gz	CAHNDPBNHGMVPS-KRWDZBQOSA-N	3	2	294.487	2.465	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045317158	175358502	/nfs/dbraw/zinc/35/85/02/175358502.db2.gz	LFZZJNKMVFQCIM-QGZVFWFLSA-N	3	2	294.487	2.463	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045317158	175358503	/nfs/dbraw/zinc/35/85/03/175358503.db2.gz	LFZZJNKMVFQCIM-QGZVFWFLSA-N	3	2	294.487	2.463	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611609	519739193	/nfs/dbraw/zinc/73/91/93/519739193.db2.gz	SROOTCAULUTQDS-HOCLYGCPSA-N	2	2	280.460	2.071	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611598	520031986	/nfs/dbraw/zinc/03/19/86/520031986.db2.gz	SJCKKHHDGYCSKR-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068614980	520102527	/nfs/dbraw/zinc/10/25/27/520102527.db2.gz	GATUIHQXWVJPFO-BBWFWOEESA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055069981	520103601	/nfs/dbraw/zinc/10/36/01/520103601.db2.gz	UXMHLNZMCGFMGU-HOTGVXAUSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1C#N	ZINC000062803019	522337008	/nfs/dbraw/zinc/33/70/08/522337008.db2.gz	YVNOFSYDSFRBOM-AWEZNQCLSA-N	2	2	254.337	2.083	10	30		CEEELP
CN[C@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000068612090	522511595	/nfs/dbraw/zinc/51/15/95/522511595.db2.gz	DSAANVCVKLKLCN-RDJZCZTQSA-N	2	2	292.471	2.217	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1	ZINC000092812595	364109471	/nfs/dbraw/zinc/10/94/71/364109471.db2.gz	FETUBQZDLFELFA-CYBMUJFWSA-N	2	2	282.347	2.480	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1	ZINC000092812595	364109473	/nfs/dbraw/zinc/10/94/73/364109473.db2.gz	FETUBQZDLFELFA-CYBMUJFWSA-N	2	2	282.347	2.480	10	30		CEEELP
CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H](C)C#N	ZINC000043689085	175095450	/nfs/dbraw/zinc/09/54/50/175095450.db2.gz	MOGNZTOUOHPNOO-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H](C)C#N	ZINC000043689085	175095452	/nfs/dbraw/zinc/09/54/52/175095452.db2.gz	MOGNZTOUOHPNOO-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
CCC[NH+]1CCN(CCCC[C@@](C)(C#N)[NH2+]CC)CC1	ZINC000045306462	175355814	/nfs/dbraw/zinc/35/58/14/175355814.db2.gz	RGLQKGBYPLIBNT-INIZCTEOSA-N	2	2	280.460	2.076	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317393	175358400	/nfs/dbraw/zinc/35/84/00/175358400.db2.gz	GUWSLPSZIPLSAZ-ZFWWWQNUSA-N	2	2	267.417	2.015	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317393	175358402	/nfs/dbraw/zinc/35/84/02/175358402.db2.gz	GUWSLPSZIPLSAZ-ZFWWWQNUSA-N	2	2	267.417	2.015	10	30		CEEELP
CC[C@@H](C)[N@H+](CCCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317933	175358700	/nfs/dbraw/zinc/35/87/00/175358700.db2.gz	VWZWFJHMZSVWOX-CABCVRRESA-N	2	2	269.433	2.405	10	30		CEEELP
CC[C@@H](C)[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317933	175358701	/nfs/dbraw/zinc/35/87/01/175358701.db2.gz	VWZWFJHMZSVWOX-CABCVRRESA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)COC	ZINC000045318901	175359127	/nfs/dbraw/zinc/35/91/27/175359127.db2.gz	XTWJRVHXPHREPT-JKSUJKDBSA-N	2	2	299.459	2.032	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCOC)[C@@H](C)COC	ZINC000045318901	175359128	/nfs/dbraw/zinc/35/91/28/175359128.db2.gz	XTWJRVHXPHREPT-JKSUJKDBSA-N	2	2	299.459	2.032	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055070149	522118536	/nfs/dbraw/zinc/11/85/36/522118536.db2.gz	UNZLFSIFHJTRMF-SJORKVTESA-N	2	2	294.487	2.463	10	30		CEEELP
C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(C#N)(c2ccccc2)C1	ZINC000086037128	179221490	/nfs/dbraw/zinc/22/14/90/179221490.db2.gz	OARYXPNUOSNIIP-OOHWJJMZSA-N	2	2	280.375	2.485	10	30		CEEELP
CCOCC[N@H+](CC)CCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000111121625	186355579	/nfs/dbraw/zinc/35/55/79/186355579.db2.gz	SFMXOFPJHPOAKI-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
CCOCC[N@@H+](CC)CCC[C@](C)(C#N)[NH2+]C(C)C	ZINC000111121625	186355581	/nfs/dbraw/zinc/35/55/81/186355581.db2.gz	SFMXOFPJHPOAKI-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1cccc(C#N)c1	ZINC000040639339	174363600	/nfs/dbraw/zinc/36/36/00/174363600.db2.gz	AKPPQFUTZPWRNF-GFCCVEGCSA-N	2	2	254.337	2.185	10	30		CEEELP
N#Cc1c(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cn2ccccc12	ZINC000040750207	174395222	/nfs/dbraw/zinc/39/52/22/174395222.db2.gz	KWAVXIGULDWPLB-GOOCMWNKSA-N	2	2	280.375	2.265	10	30		CEEELP
N#Cc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cn2ccccc12	ZINC000040750207	174395223	/nfs/dbraw/zinc/39/52/23/174395223.db2.gz	KWAVXIGULDWPLB-GOOCMWNKSA-N	2	2	280.375	2.265	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[NH+]1CCC(C[NH+](C)C)CC1	ZINC000045315780	175357743	/nfs/dbraw/zinc/35/77/43/175357743.db2.gz	LRNRCGFPUKMFCC-KRWDZBQOSA-N	3	2	294.487	2.320	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612921	520032127	/nfs/dbraw/zinc/03/21/27/520032127.db2.gz	BOAYXUPLRCTWBD-NVXWUHKLSA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612921	520032131	/nfs/dbraw/zinc/03/21/31/520032131.db2.gz	BOAYXUPLRCTWBD-NVXWUHKLSA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070202	520128168	/nfs/dbraw/zinc/12/81/68/520128168.db2.gz	PHGZXBJOEQGIPC-DLBZAZTESA-N	2	2	294.487	2.465	10	30		CEEELP
CC[C@H](C)[NH+]1CCN([C@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615034	523959069	/nfs/dbraw/zinc/95/90/69/523959069.db2.gz	HSVRYGHMRQQGPA-BBWFWOEESA-N	2	2	294.487	2.461	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1	ZINC000111169191	186366013	/nfs/dbraw/zinc/36/60/13/186366013.db2.gz	OXFGLIDSNZNDSB-MRXNPFEDSA-N	2	2	281.444	2.407	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CC1CCOCC1	ZINC000111169191	186366015	/nfs/dbraw/zinc/36/60/15/186366015.db2.gz	OXFGLIDSNZNDSB-MRXNPFEDSA-N	2	2	281.444	2.407	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCO[C@@H](C)C1	ZINC000045307358	175355729	/nfs/dbraw/zinc/35/57/29/175355729.db2.gz	GFCVEBDPHZIMNE-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@H+]1CCO[C@@H](C)C1	ZINC000045307358	175355730	/nfs/dbraw/zinc/35/57/30/175355730.db2.gz	GFCVEBDPHZIMNE-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CCOC1CC[NH+](CCCC[C@](C)(C#N)[NH2+]C)CC1	ZINC000045313063	175357050	/nfs/dbraw/zinc/35/70/50/175357050.db2.gz	HECIEYQSJLHYQB-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[N@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045314228	175357069	/nfs/dbraw/zinc/35/70/69/175357069.db2.gz	UUJYBFIKFWOLCD-LSDHHAIUSA-N	2	2	269.433	2.404	10	30		CEEELP
CC[N@@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045314228	175357070	/nfs/dbraw/zinc/35/70/70/175357070.db2.gz	UUJYBFIKFWOLCD-LSDHHAIUSA-N	2	2	269.433	2.404	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317186	175357763	/nfs/dbraw/zinc/35/77/63/175357763.db2.gz	RORNZRRPYLOCHU-KRWDZBQOSA-N	3	2	294.487	2.465	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317186	175357764	/nfs/dbraw/zinc/35/77/64/175357764.db2.gz	RORNZRRPYLOCHU-KRWDZBQOSA-N	3	2	294.487	2.465	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045317154	175358459	/nfs/dbraw/zinc/35/84/59/175358459.db2.gz	LFZZJNKMVFQCIM-KRWDZBQOSA-N	3	2	294.487	2.463	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045317154	175358460	/nfs/dbraw/zinc/35/84/60/175358460.db2.gz	LFZZJNKMVFQCIM-KRWDZBQOSA-N	3	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC	ZINC000045318863	175358883	/nfs/dbraw/zinc/35/88/83/175358883.db2.gz	XHIZYBMOYWNVCQ-JKSUJKDBSA-N	2	2	299.459	2.032	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)COC	ZINC000045318863	175358884	/nfs/dbraw/zinc/35/88/84/175358884.db2.gz	XHIZYBMOYWNVCQ-JKSUJKDBSA-N	2	2	299.459	2.032	10	30		CEEELP
COCC[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045318868	175359414	/nfs/dbraw/zinc/35/94/14/175359414.db2.gz	RBMHBFVNFBBUJJ-HOTGVXAUSA-N	2	2	299.459	2.030	10	30		CEEELP
COCC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045318868	175359416	/nfs/dbraw/zinc/35/94/16/175359416.db2.gz	RBMHBFVNFBBUJJ-HOTGVXAUSA-N	2	2	299.459	2.030	10	30		CEEELP
C#CCOc1ccc(Cl)cc1C[NH2+]CCC[NH+](C)C	ZINC000045946508	175387857	/nfs/dbraw/zinc/38/78/57/175387857.db2.gz	BLHXJFJJDFTOFB-UHFFFAOYSA-N	2	2	280.799	2.393	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1	ZINC000062050238	175661202	/nfs/dbraw/zinc/66/12/02/175661202.db2.gz	CBGCSLRVDAADCU-CQSZACIVSA-N	2	2	274.383	2.444	10	30		CEEELP
[NH2+]=C(NCc1cccc(-n2cc[nH+]c2)c1)NCC1CCC1	ZINC000262509051	330018745	/nfs/dbraw/zinc/01/87/45/330018745.db2.gz	CHSOIQDCLNWKRJ-UHFFFAOYSA-N	2	2	283.379	2.077	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615990	519739234	/nfs/dbraw/zinc/73/92/34/519739234.db2.gz	MCQOULXDQVYZBS-ULQDDVLXSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611653	519739458	/nfs/dbraw/zinc/73/94/58/519739458.db2.gz	IBAWXIQWNJHKLA-CVEARBPZSA-N	2	2	280.460	2.071	10	30		CEEELP
C=CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](CC)CCO2)cc1	ZINC000134439730	344374059	/nfs/dbraw/zinc/37/40/59/344374059.db2.gz	JISDNBQXCMXUJQ-KRWDZBQOSA-N	2	2	290.407	2.062	10	30		CEEELP
C=CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC)CCO2)cc1	ZINC000134439730	344374061	/nfs/dbraw/zinc/37/40/61/344374061.db2.gz	JISDNBQXCMXUJQ-KRWDZBQOSA-N	2	2	290.407	2.062	10	30		CEEELP
C=CCCC[C@H]([NH3+])C1([NH+]2CCOCC2)CCCC1	ZINC000091643101	180213834	/nfs/dbraw/zinc/21/38/34/180213834.db2.gz	CREOJIWFZCXWDL-AWEZNQCLSA-N	2	2	252.402	2.315	10	30		CEEELP
C=CCCC[C@@H]([NH3+])C1([NH+]2CCOCC2)CCCC1	ZINC000091643102	180214221	/nfs/dbraw/zinc/21/42/21/180214221.db2.gz	CREOJIWFZCXWDL-CQSZACIVSA-N	2	2	252.402	2.315	10	30		CEEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N	ZINC000247097522	371064164	/nfs/dbraw/zinc/06/41/64/371064164.db2.gz	QCODXMMKDMHAQH-CABCVRRESA-N	2	2	271.368	2.099	10	30		CEEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N	ZINC000247097522	371064170	/nfs/dbraw/zinc/06/41/70/371064170.db2.gz	QCODXMMKDMHAQH-CABCVRRESA-N	2	2	271.368	2.099	10	30		CEEELP
Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000129089322	394858904	/nfs/dbraw/zinc/85/89/04/394858904.db2.gz	NLBZZZQMFRRHNW-GDBMZVCRSA-N	2	2	284.407	2.491	10	30		CEEELP
Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000129089322	394858905	/nfs/dbraw/zinc/85/89/05/394858905.db2.gz	NLBZZZQMFRRHNW-GDBMZVCRSA-N	2	2	284.407	2.491	10	30		CEEELP
CCN[C@](C)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000045181575	175324902	/nfs/dbraw/zinc/32/49/02/175324902.db2.gz	DCTIFUDSOYXHEZ-KRWDZBQOSA-N	2	2	292.471	2.219	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CCOCC1	ZINC000045311845	175356876	/nfs/dbraw/zinc/35/68/76/175356876.db2.gz	PCNJHVKKUBXIFR-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CCOCC1	ZINC000045311845	175356877	/nfs/dbraw/zinc/35/68/77/175356877.db2.gz	PCNJHVKKUBXIFR-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC	ZINC000045312027	175357390	/nfs/dbraw/zinc/35/73/90/175357390.db2.gz	VFJNVSROXWYSJJ-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+]1CCOC[C@@H]1CC	ZINC000045312027	175357391	/nfs/dbraw/zinc/35/73/91/175357391.db2.gz	VFJNVSROXWYSJJ-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316608	175357864	/nfs/dbraw/zinc/35/78/64/175357864.db2.gz	XMMRBLWARWLVQH-LSDHHAIUSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316608	175357866	/nfs/dbraw/zinc/35/78/66/175357866.db2.gz	XMMRBLWARWLVQH-LSDHHAIUSA-N	2	2	267.417	2.158	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316596	175358127	/nfs/dbraw/zinc/35/81/27/175358127.db2.gz	HWJLBXMMHGOJGQ-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316596	175358128	/nfs/dbraw/zinc/35/81/28/175358128.db2.gz	HWJLBXMMHGOJGQ-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615638	519735473	/nfs/dbraw/zinc/73/54/73/519735473.db2.gz	XGKNERJIGHBFEE-BRWVUGGUSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615638	519735474	/nfs/dbraw/zinc/73/54/74/519735474.db2.gz	XGKNERJIGHBFEE-BRWVUGGUSA-N	2	2	292.471	2.215	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611662	519739346	/nfs/dbraw/zinc/73/93/46/519739346.db2.gz	IBAWXIQWNJHKLA-HOTGVXAUSA-N	2	2	280.460	2.071	10	30		CEEELP
Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(C#N)c(C)[nH+]1	ZINC000097932716	232189508	/nfs/dbraw/zinc/18/95/08/232189508.db2.gz	SUGHVTGDLOHWFZ-UHFFFAOYSA-N	2	2	272.396	2.491	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000086037753	179221257	/nfs/dbraw/zinc/22/12/57/179221257.db2.gz	FDBJHQDWMHQOSP-HJOIGYKYSA-N	2	2	281.403	2.437	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1	ZINC000086037753	179221260	/nfs/dbraw/zinc/22/12/60/179221260.db2.gz	FDBJHQDWMHQOSP-HJOIGYKYSA-N	2	2	281.403	2.437	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169049	186364952	/nfs/dbraw/zinc/36/49/52/186364952.db2.gz	HIGFSWHZMJQHLN-GJZGRUSLSA-N	2	2	267.417	2.017	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169049	186364954	/nfs/dbraw/zinc/36/49/54/186364954.db2.gz	HIGFSWHZMJQHLN-GJZGRUSLSA-N	2	2	267.417	2.017	10	30		CEEELP
Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c(C#N)c(C)[nH+]1	ZINC000227593531	394473272	/nfs/dbraw/zinc/47/32/72/394473272.db2.gz	YESXNBOHHVXMFR-LLVKDONJSA-N	2	2	258.369	2.465	10	30		CEEELP
Cc1cc(NC[C@@H](C)[N@@H+](C)C2CC2)c(C#N)c(C)[nH+]1	ZINC000227593531	394473274	/nfs/dbraw/zinc/47/32/74/394473274.db2.gz	YESXNBOHHVXMFR-LLVKDONJSA-N	2	2	258.369	2.465	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC000040598740	174349857	/nfs/dbraw/zinc/34/98/57/174349857.db2.gz	QJRRDUGRKZUZPG-ZDUSSCGKSA-N	2	2	261.344	2.129	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1	ZINC000040598740	174349858	/nfs/dbraw/zinc/34/98/58/174349858.db2.gz	QJRRDUGRKZUZPG-ZDUSSCGKSA-N	2	2	261.344	2.129	10	30		CEEELP
CC[N@@H+](Cc1sccc1C#CC[NH3+])C[C@@H](C)C#N	ZINC000043684144	175092778	/nfs/dbraw/zinc/09/27/78/175092778.db2.gz	XABJZGSHBQYGMA-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1sccc1C#CC[NH3+])C[C@@H](C)C#N	ZINC000043684144	175092779	/nfs/dbraw/zinc/09/27/79/175092779.db2.gz	XABJZGSHBQYGMA-LBPRGKRZSA-N	2	2	261.394	2.040	10	30		CEEELP
C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CC[NH+](C)C1	ZINC000071189108	176064888	/nfs/dbraw/zinc/06/48/88/176064888.db2.gz	IVOJHFAWUUZKNH-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CC[NH+](C)C1	ZINC000071189108	176064889	/nfs/dbraw/zinc/06/48/89/176064889.db2.gz	IVOJHFAWUUZKNH-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1cc(C#N)ccc1F)C[C@H]1CC[N@H+](C)C1	ZINC000071189108	176064890	/nfs/dbraw/zinc/06/48/90/176064890.db2.gz	IVOJHFAWUUZKNH-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1cc(C#N)ccc1F)C[C@H]1CC[N@@H+](C)C1	ZINC000071189108	176064891	/nfs/dbraw/zinc/06/48/91/176064891.db2.gz	IVOJHFAWUUZKNH-ZDUSSCGKSA-N	2	2	261.344	2.081	10	30		CEEELP
CC(C)[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068757866	519725323	/nfs/dbraw/zinc/72/53/23/519725323.db2.gz	XXXMKTFJMRDQIZ-OAHLLOKOSA-N	2	2	272.396	2.163	10	30		CEEELP
CC(C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068757866	519725325	/nfs/dbraw/zinc/72/53/25/519725325.db2.gz	XXXMKTFJMRDQIZ-OAHLLOKOSA-N	2	2	272.396	2.163	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1	ZINC000068615080	520032345	/nfs/dbraw/zinc/03/23/45/520032345.db2.gz	BJQKNWQXKGKTLR-IAGOWNOFSA-N	2	2	294.487	2.320	10	30		CEEELP
CC[C@H](C)[NH+]1CCN([C@@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615027	523958021	/nfs/dbraw/zinc/95/80/21/523958021.db2.gz	HSVRYGHMRQQGPA-ULQDDVLXSA-N	2	2	294.487	2.461	10	30		CEEELP
C[N@@H+]1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037426	179221791	/nfs/dbraw/zinc/22/17/91/179221791.db2.gz	QQYPPRVFXYYEHW-GTPINHCMSA-N	2	2	269.392	2.294	10	30		CEEELP
C[N@H+]1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037426	179221792	/nfs/dbraw/zinc/22/17/92/179221792.db2.gz	QQYPPRVFXYYEHW-GTPINHCMSA-N	2	2	269.392	2.294	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307920	175356558	/nfs/dbraw/zinc/35/65/58/175356558.db2.gz	WTNCYWHRXRVMGD-QGZVFWFLSA-N	3	2	294.487	2.463	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307920	175356560	/nfs/dbraw/zinc/35/65/60/175356560.db2.gz	WTNCYWHRXRVMGD-QGZVFWFLSA-N	3	2	294.487	2.463	10	30		CEEELP
C[N@H+](CCCC[C@@](C)(C#N)[NH2+]C1CC1)C1CCOCC1	ZINC000045311863	175357242	/nfs/dbraw/zinc/35/72/42/175357242.db2.gz	XSRZCTGZVTWQFS-INIZCTEOSA-N	2	2	279.428	2.302	10	30		CEEELP
C[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C1CC1)C1CCOCC1	ZINC000045311863	175357244	/nfs/dbraw/zinc/35/72/44/175357244.db2.gz	XSRZCTGZVTWQFS-INIZCTEOSA-N	2	2	279.428	2.302	10	30		CEEELP
COCCC[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045317026	175358303	/nfs/dbraw/zinc/35/83/03/175358303.db2.gz	WLBHOXDDTXGJRU-INIZCTEOSA-N	2	2	299.459	2.032	10	30		CEEELP
COCCC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045317026	175358305	/nfs/dbraw/zinc/35/83/05/175358305.db2.gz	WLBHOXDDTXGJRU-INIZCTEOSA-N	2	2	299.459	2.032	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611472	519739356	/nfs/dbraw/zinc/73/93/56/519739356.db2.gz	QTEMECFHDVNLEN-HOCLYGCPSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)N[C@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611472	519739357	/nfs/dbraw/zinc/73/93/57/519739357.db2.gz	QTEMECFHDVNLEN-HOCLYGCPSA-N	2	2	280.460	2.071	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](CCC)CC1	ZINC000068611232	520031866	/nfs/dbraw/zinc/03/18/66/520031866.db2.gz	OBFAVQCOMIJCPD-HZPDHXFCSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[N@@H+]1CCC[C@H]1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157378650	521658240	/nfs/dbraw/zinc/65/82/40/521658240.db2.gz	AILIAFNNWXZFHA-ZDUSSCGKSA-N	2	2	258.369	2.466	10	30		CEEELP
CC[N@H+]1CCC[C@H]1CNc1cc(C)[nH+]c(C)c1C#N	ZINC000157378650	521658241	/nfs/dbraw/zinc/65/82/41/521658241.db2.gz	AILIAFNNWXZFHA-ZDUSSCGKSA-N	2	2	258.369	2.466	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1	ZINC000055081116	520099831	/nfs/dbraw/zinc/09/98/31/520099831.db2.gz	DKZAULSSSYKTTI-KRWDZBQOSA-N	2	2	294.487	2.322	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1	ZINC000068615077	520103157	/nfs/dbraw/zinc/10/31/57/520103157.db2.gz	BJQKNWQXKGKTLR-SJORKVTESA-N	2	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615611	520103839	/nfs/dbraw/zinc/10/38/39/520103839.db2.gz	DOWYURJAHWOHLH-BBWFWOEESA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615611	520103847	/nfs/dbraw/zinc/10/38/47/520103847.db2.gz	DOWYURJAHWOHLH-BBWFWOEESA-N	2	2	292.471	2.217	10	30		CEEELP
CC[N@H+](Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000061659574	521394227	/nfs/dbraw/zinc/39/42/27/521394227.db2.gz	JCNAQHHXLCOQKU-YIONKMFJSA-N	2	2	270.380	2.058	10	30		CEEELP
CC[N@@H+](Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000061659574	521394242	/nfs/dbraw/zinc/39/42/42/521394242.db2.gz	JCNAQHHXLCOQKU-YIONKMFJSA-N	2	2	270.380	2.058	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@@H]2C[NH+]3CCC2CC3)C1	ZINC000086036113	179221086	/nfs/dbraw/zinc/22/10/86/179221086.db2.gz	MJWSOPIETAAMNB-LXPRWKDFSA-N	2	2	281.403	2.294	10	30		CEEELP
C=CC[C@H]([NH2+]CC)C1([NH+]2CCOCC2)CCCC1	ZINC000091646291	180215713	/nfs/dbraw/zinc/21/57/13/180215713.db2.gz	IUJUFHNWSSBOOP-AWEZNQCLSA-N	2	2	252.402	2.186	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1	ZINC000045182849	175325493	/nfs/dbraw/zinc/32/54/93/175325493.db2.gz	CBJJPKUZHBYUHD-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
C[C@]([NH3+])(C#N)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000045313155	175357329	/nfs/dbraw/zinc/35/73/29/175357329.db2.gz	RWWFWEOTBXFCTH-QGZVFWFLSA-N	3	2	292.471	2.348	10	30		CEEELP
CC[C@H](C)[N@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317886	175358920	/nfs/dbraw/zinc/35/89/20/175358920.db2.gz	GNGHBMIWUNWOPE-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[C@H](C)[N@@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317886	175358921	/nfs/dbraw/zinc/35/89/21/175358921.db2.gz	GNGHBMIWUNWOPE-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)CC	ZINC000045317894	175359311	/nfs/dbraw/zinc/35/93/11/175359311.db2.gz	RCCSDCDLBLTZQY-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)CC	ZINC000045317894	175359313	/nfs/dbraw/zinc/35/93/13/175359313.db2.gz	RCCSDCDLBLTZQY-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CC[NH+](C)C1	ZINC000071189107	176064365	/nfs/dbraw/zinc/06/43/65/176064365.db2.gz	GNKWPCOOUAQLQC-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CC[NH+](C)C1	ZINC000071189107	176064366	/nfs/dbraw/zinc/06/43/66/176064366.db2.gz	GNKWPCOOUAQLQC-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1ccc(C#N)cc1F)C[C@@H]1CC[N@H+](C)C1	ZINC000071189107	176064367	/nfs/dbraw/zinc/06/43/67/176064367.db2.gz	GNKWPCOOUAQLQC-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1ccc(C#N)cc1F)C[C@@H]1CC[N@@H+](C)C1	ZINC000071189107	176064368	/nfs/dbraw/zinc/06/43/68/176064368.db2.gz	GNKWPCOOUAQLQC-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
N#Cc1cc(F)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000071264294	176097311	/nfs/dbraw/zinc/09/73/11/176097311.db2.gz	BUUAZUJWHCTLSF-GOOCMWNKSA-N	2	2	259.328	2.151	10	30		CEEELP
N#Cc1cc(F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000071264294	176097313	/nfs/dbraw/zinc/09/73/13/176097313.db2.gz	BUUAZUJWHCTLSF-GOOCMWNKSA-N	2	2	259.328	2.151	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612915	520103973	/nfs/dbraw/zinc/10/39/73/520103973.db2.gz	BOAYXUPLRCTWBD-WBVHZDCISA-N	2	2	294.487	2.463	10	30		CEEELP
CCCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612915	520103983	/nfs/dbraw/zinc/10/39/83/520103983.db2.gz	BOAYXUPLRCTWBD-WBVHZDCISA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070124	520225041	/nfs/dbraw/zinc/22/50/41/520225041.db2.gz	WUKWMPFDRZWXCX-CVEARBPZSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1ccc(C#N)cc1F	ZINC000090333457	179964095	/nfs/dbraw/zinc/96/40/95/179964095.db2.gz	BWTPWNVKRJHVJB-IIAWOOMASA-N	2	2	273.355	2.127	10	30		CEEELP
CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1F	ZINC000090333457	179964096	/nfs/dbraw/zinc/96/40/96/179964096.db2.gz	BWTPWNVKRJHVJB-IIAWOOMASA-N	2	2	273.355	2.127	10	30		CEEELP
Cc1cc(NC(=O)c2ccc(C#CC[NH3+])cc2F)cc[nH+]1	ZINC000092365936	180369262	/nfs/dbraw/zinc/36/92/62/180369262.db2.gz	DRHFVWCYFDBKKB-UHFFFAOYSA-N	2	2	283.306	2.092	10	30		CEEELP
Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000135064814	366392641	/nfs/dbraw/zinc/39/26/41/366392641.db2.gz	JPKVHENVXGKBRG-CYBMUJFWSA-N	2	2	258.369	2.324	10	30		CEEELP
Cc1cc(NC[C@H]2CCC[N@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000135064814	366392644	/nfs/dbraw/zinc/39/26/44/366392644.db2.gz	JPKVHENVXGKBRG-CYBMUJFWSA-N	2	2	258.369	2.324	10	30		CEEELP
CC[N@@H+]1CCCN(c2cc(C)[nH+]c(C)c2C#N)CC1	ZINC000301682325	394463845	/nfs/dbraw/zinc/46/38/45/394463845.db2.gz	SJKNXXPJOYNPBP-UHFFFAOYSA-N	2	2	258.369	2.102	10	30		CEEELP
CC[N@H+]1CCCN(c2cc(C)[nH+]c(C)c2C#N)CC1	ZINC000301682325	394463851	/nfs/dbraw/zinc/46/38/51/394463851.db2.gz	SJKNXXPJOYNPBP-UHFFFAOYSA-N	2	2	258.369	2.102	10	30		CEEELP
CCCN[C@@](C)(C#N)CC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045182543	175325928	/nfs/dbraw/zinc/32/59/28/175325928.db2.gz	OMYSXATYXWCTLZ-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
CCCN[C@@](C)(C#N)CC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045182543	175325930	/nfs/dbraw/zinc/32/59/30/175325930.db2.gz	OMYSXATYXWCTLZ-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CCOC	ZINC000045319033	175358802	/nfs/dbraw/zinc/35/88/02/175358802.db2.gz	HOPNVLASZWVOSS-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CCOC	ZINC000045319033	175358804	/nfs/dbraw/zinc/35/88/04/175358804.db2.gz	HOPNVLASZWVOSS-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318480	175359171	/nfs/dbraw/zinc/35/91/71/175359171.db2.gz	KPWZUWRAORTIAL-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1	ZINC000188398756	280138671	/nfs/dbraw/zinc/13/86/71/280138671.db2.gz	LVSLEDZVGCWQLP-LBPRGKRZSA-N	2	2	272.377	2.481	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1	ZINC000188398756	280138676	/nfs/dbraw/zinc/13/86/76/280138676.db2.gz	LVSLEDZVGCWQLP-LBPRGKRZSA-N	2	2	272.377	2.481	10	30		CEEELP
CC(C)C[NH+]1CCN([C@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615138	519728111	/nfs/dbraw/zinc/72/81/11/519728111.db2.gz	ATQFAWFTAOSBEJ-SJORKVTESA-N	2	2	294.487	2.319	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616205	519739363	/nfs/dbraw/zinc/73/93/63/519739363.db2.gz	GMFFVRIQBIIYPX-HOTGVXAUSA-N	2	2	280.460	2.073	10	30		CEEELP
C#CC[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1	ZINC000302674912	379420002	/nfs/dbraw/zinc/42/00/02/379420002.db2.gz	TYMVPVLPQBAPEF-UHFFFAOYSA-N	2	2	295.386	2.307	10	30		CEEELP
Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(C#N)c(C)[nH+]1	ZINC000156580298	395032518	/nfs/dbraw/zinc/03/25/18/395032518.db2.gz	FBPCNRRQENBJHN-AWEZNQCLSA-N	2	2	270.380	2.245	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)CCc2ccco2)CC1	ZINC000037232930	173052323	/nfs/dbraw/zinc/05/23/23/173052323.db2.gz	RIKACAJXDYMIOM-CQSZACIVSA-N	2	2	260.381	2.288	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1	ZINC000040626378	174356262	/nfs/dbraw/zinc/35/62/62/174356262.db2.gz	ZSKDCALTOAEJSE-UHFFFAOYSA-N	2	2	274.433	2.424	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311110	175356596	/nfs/dbraw/zinc/35/65/96/175356596.db2.gz	KWTUMGFBKXDRQO-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC	ZINC000045314211	175356966	/nfs/dbraw/zinc/35/69/66/175356966.db2.gz	SHDQPIQLZGXJNH-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314211	175356968	/nfs/dbraw/zinc/35/69/68/175356968.db2.gz	SHDQPIQLZGXJNH-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)[C@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068612950	521566540	/nfs/dbraw/zinc/56/65/40/521566540.db2.gz	ICBWIZLKTWJZPB-WBVHZDCISA-N	2	2	294.487	2.461	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)[C@H](C)C[C@@](C)(C#N)NC(C)C)CC1	ZINC000068612950	521566533	/nfs/dbraw/zinc/56/65/33/521566533.db2.gz	ICBWIZLKTWJZPB-WBVHZDCISA-N	2	2	294.487	2.461	10	30		CEEELP
C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1OCC#N	ZINC000049554004	524164260	/nfs/dbraw/zinc/16/42/60/524164260.db2.gz	OXVSCFFAHHARLI-CYBMUJFWSA-N	2	2	261.369	2.019	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169113	186365100	/nfs/dbraw/zinc/36/51/00/186365100.db2.gz	SCGNRNQNVRHSSS-HOTGVXAUSA-N	2	2	281.444	2.405	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169113	186365101	/nfs/dbraw/zinc/36/51/01/186365101.db2.gz	SCGNRNQNVRHSSS-HOTGVXAUSA-N	2	2	281.444	2.405	10	30		CEEELP
Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000301798489	201204251	/nfs/dbraw/zinc/20/42/51/201204251.db2.gz	UWBMDTXJVGLEFD-CQSZACIVSA-N	2	2	272.396	2.348	10	30		CEEELP
Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000301798489	201204252	/nfs/dbraw/zinc/20/42/52/201204252.db2.gz	UWBMDTXJVGLEFD-CQSZACIVSA-N	2	2	272.396	2.348	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307107	175355845	/nfs/dbraw/zinc/35/58/45/175355845.db2.gz	JDRAZPOTMWRTDA-ZNMIVQPWSA-N	2	2	267.417	2.156	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000045307107	175355846	/nfs/dbraw/zinc/35/58/46/175355846.db2.gz	JDRAZPOTMWRTDA-ZNMIVQPWSA-N	2	2	267.417	2.156	10	30		CEEELP
COC1CC[NH+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045310305	175356169	/nfs/dbraw/zinc/35/61/69/175356169.db2.gz	RMNUHSUVHIWTKB-HNNXBMFYSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)CC(C)C	ZINC000045314977	175357134	/nfs/dbraw/zinc/35/71/34/175357134.db2.gz	BJEFARILXZBCHO-OAHLLOKOSA-N	2	2	269.433	2.263	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)CC(C)C	ZINC000045314977	175357136	/nfs/dbraw/zinc/35/71/36/175357136.db2.gz	BJEFARILXZBCHO-OAHLLOKOSA-N	2	2	269.433	2.263	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611639	520032651	/nfs/dbraw/zinc/03/26/51/520032651.db2.gz	RSJMPDMXUGOXDI-HZPDHXFCSA-N	2	2	280.460	2.073	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611614	519735559	/nfs/dbraw/zinc/73/55/59/519735559.db2.gz	SROOTCAULUTQDS-GOEBONIOSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613215	519735706	/nfs/dbraw/zinc/73/57/06/519735706.db2.gz	UFSAITGYUNGBES-DOTOQJQBSA-N	2	2	294.487	2.461	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C2CCCC2)CC1	ZINC000068614879	520225365	/nfs/dbraw/zinc/22/53/65/520225365.db2.gz	MWDNEQYUPAUWPX-RDJZCZTQSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609841	523342909	/nfs/dbraw/zinc/34/29/09/523342909.db2.gz	UBSPZENYVWSQEJ-BBRMVZONSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609841	523342923	/nfs/dbraw/zinc/34/29/23/523342923.db2.gz	UBSPZENYVWSQEJ-BBRMVZONSA-N	2	2	290.382	2.135	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907055	180060810	/nfs/dbraw/zinc/06/08/10/180060810.db2.gz	BVTFSRCRZYMTPM-XHSDSOJGSA-N	2	2	279.428	2.300	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907055	180060811	/nfs/dbraw/zinc/06/08/11/180060811.db2.gz	BVTFSRCRZYMTPM-XHSDSOJGSA-N	2	2	279.428	2.300	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907056	180061036	/nfs/dbraw/zinc/06/10/36/180061036.db2.gz	BVTFSRCRZYMTPM-OWCLPIDISA-N	2	2	279.428	2.300	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2	ZINC000090907056	180061038	/nfs/dbraw/zinc/06/10/38/180061038.db2.gz	BVTFSRCRZYMTPM-OWCLPIDISA-N	2	2	279.428	2.300	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1	ZINC000091432833	180153735	/nfs/dbraw/zinc/15/37/35/180153735.db2.gz	KLCOOPLBMVIEIH-PMPSAXMXSA-N	2	2	280.460	2.071	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1	ZINC000111169221	186365312	/nfs/dbraw/zinc/36/53/12/186365312.db2.gz	MPDAHCUAMVNVCJ-OAHLLOKOSA-N	2	2	267.417	2.017	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CC1CCOCC1	ZINC000111169221	186365314	/nfs/dbraw/zinc/36/53/14/186365314.db2.gz	MPDAHCUAMVNVCJ-OAHLLOKOSA-N	2	2	267.417	2.017	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1	ZINC000111169187	186365713	/nfs/dbraw/zinc/36/57/13/186365713.db2.gz	OXFGLIDSNZNDSB-INIZCTEOSA-N	2	2	281.444	2.407	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CC1CCOCC1	ZINC000111169187	186365715	/nfs/dbraw/zinc/36/57/15/186365715.db2.gz	OXFGLIDSNZNDSB-INIZCTEOSA-N	2	2	281.444	2.407	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169155	186365866	/nfs/dbraw/zinc/36/58/66/186365866.db2.gz	UZQDRUBPTYHQAX-HOTGVXAUSA-N	2	2	281.444	2.407	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169155	186365868	/nfs/dbraw/zinc/36/58/68/186365868.db2.gz	UZQDRUBPTYHQAX-HOTGVXAUSA-N	2	2	281.444	2.407	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(C)cc2)CC1	ZINC000040499609	174296350	/nfs/dbraw/zinc/29/63/50/174296350.db2.gz	RKPWTQXSVRYESY-INIZCTEOSA-N	2	2	286.419	2.450	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CCOCC1	ZINC000045311814	175356303	/nfs/dbraw/zinc/35/63/03/175356303.db2.gz	BMVAEUQJUUERTC-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CCOCC1	ZINC000045311814	175356305	/nfs/dbraw/zinc/35/63/05/175356305.db2.gz	BMVAEUQJUUERTC-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCOC1CC[NH+](CCCC[C@@](C)(C#N)[NH2+]C)CC1	ZINC000045313059	175357174	/nfs/dbraw/zinc/35/71/74/175357174.db2.gz	HECIEYQSJLHYQB-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CCCOC)CCOC	ZINC000045317022	175358006	/nfs/dbraw/zinc/35/80/06/175358006.db2.gz	OUDGPQSUGWWIJY-MRXNPFEDSA-N	2	2	299.459	2.033	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCCOC)CCOC	ZINC000045317022	175358008	/nfs/dbraw/zinc/35/80/08/175358008.db2.gz	OUDGPQSUGWWIJY-MRXNPFEDSA-N	2	2	299.459	2.033	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCC[NH+](CCOC)CCOC	ZINC000045318617	175358944	/nfs/dbraw/zinc/35/89/44/175358944.db2.gz	JPLNGROOWNYYRD-MRXNPFEDSA-N	2	2	299.459	2.033	10	30		CEEELP
CC[NH2+]CC1CCN(c2cc(C)[nH+]cc2C#N)CC1	ZINC000398976158	266170945	/nfs/dbraw/zinc/17/09/45/266170945.db2.gz	BQHUDOILRPPTBP-UHFFFAOYSA-N	2	2	258.369	2.088	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068615009	520225556	/nfs/dbraw/zinc/22/55/56/520225556.db2.gz	AMOXSLYHKSHNFI-XHSDSOJGSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613175	520103323	/nfs/dbraw/zinc/10/33/23/520103323.db2.gz	HIYBRZDEMFDZRU-WBVHZDCISA-N	2	2	294.487	2.463	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)(C#N)[NH2+]C)CC1	ZINC000055070188	522119702	/nfs/dbraw/zinc/11/97/02/522119702.db2.gz	FVTOQDVNMXNQMQ-HZPDHXFCSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[C@H](C)[NH+]1CCN(CC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055070001	523954741	/nfs/dbraw/zinc/95/47/41/523954741.db2.gz	XQGUVBNWBRQTGK-JKSUJKDBSA-N	2	2	280.460	2.073	10	30		CEEELP
C=CC[NH2+]CC[NH2+]Cc1ccc(Br)s1	ZINC000086140051	179237033	/nfs/dbraw/zinc/23/70/33/179237033.db2.gz	YKRFUGRAWVRHJO-UHFFFAOYSA-N	2	2	275.215	2.376	10	30		CEEELP
C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180677429	189269503	/nfs/dbraw/zinc/26/95/03/189269503.db2.gz	AJAYHIBSSXYSML-KBPBESRZSA-N	2	2	298.390	2.214	10	30		CEEELP
C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000245990862	370897195	/nfs/dbraw/zinc/89/71/95/370897195.db2.gz	GGSVAJIQBCMZSJ-LSDHHAIUSA-N	2	2	275.396	2.143	10	30		CEEELP
C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000245990862	370897199	/nfs/dbraw/zinc/89/71/99/370897199.db2.gz	GGSVAJIQBCMZSJ-LSDHHAIUSA-N	2	2	275.396	2.143	10	30		CEEELP
C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1	ZINC000181560016	368470026	/nfs/dbraw/zinc/47/00/26/368470026.db2.gz	XUBYKWGFRLFNPK-RHSMWYFYSA-N	2	2	287.407	2.056	10	30		CEEELP
CC(C)[N@H+](CCC#N)Cc1cc(C#CC[NH3+])cs1	ZINC000043689098	175095986	/nfs/dbraw/zinc/09/59/86/175095986.db2.gz	HNDYRRHOHVHEPU-UHFFFAOYSA-N	2	2	261.394	2.182	10	30		CEEELP
CC(C)[N@@H+](CCC#N)Cc1cc(C#CC[NH3+])cs1	ZINC000043689098	175095987	/nfs/dbraw/zinc/09/59/87/175095987.db2.gz	HNDYRRHOHVHEPU-UHFFFAOYSA-N	2	2	261.394	2.182	10	30		CEEELP
C=C(Br)C[NH2+]CCCCn1cc[nH+]c1	ZINC000045107128	175308194	/nfs/dbraw/zinc/30/81/94/175308194.db2.gz	HQDQDORRCWECDF-UHFFFAOYSA-N	2	2	258.163	2.162	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1	ZINC000045182851	175325769	/nfs/dbraw/zinc/32/57/69/175325769.db2.gz	GZPNHBBUBCCOJF-INIZCTEOSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)CCc1ccccn1	ZINC000045305997	175355537	/nfs/dbraw/zinc/35/55/37/175355537.db2.gz	PHLZSZQFNIIBGT-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CCc1ccccn1	ZINC000045305997	175355539	/nfs/dbraw/zinc/35/55/39/175355539.db2.gz	PHLZSZQFNIIBGT-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
COC[C@H](C)[N@H+](C)CCCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045314660	175356936	/nfs/dbraw/zinc/35/69/36/175356936.db2.gz	RRZNQKMTDPFBRK-GJZGRUSLSA-N	2	2	269.433	2.404	10	30		CEEELP
COC[C@H](C)[N@@H+](C)CCCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045314660	175356937	/nfs/dbraw/zinc/35/69/37/175356937.db2.gz	RRZNQKMTDPFBRK-GJZGRUSLSA-N	2	2	269.433	2.404	10	30		CEEELP
COC[C@H](C)[N@H+](C)CCCC[C@@](C)(C#N)[NH2+]C1CC1	ZINC000045314669	175357375	/nfs/dbraw/zinc/35/73/75/175357375.db2.gz	DSSUUFGVHWKBPG-ZFWWWQNUSA-N	2	2	267.417	2.158	10	30		CEEELP
COC[C@H](C)[N@@H+](C)CCCC[C@@](C)(C#N)[NH2+]C1CC1	ZINC000045314669	175357376	/nfs/dbraw/zinc/35/73/76/175357376.db2.gz	DSSUUFGVHWKBPG-ZFWWWQNUSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311951	175357481	/nfs/dbraw/zinc/35/74/81/175357481.db2.gz	ODJXTHMWHYUXHL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOC(C)(C)C1	ZINC000045311951	175357482	/nfs/dbraw/zinc/35/74/82/175357482.db2.gz	ODJXTHMWHYUXHL-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)CN(CC[NH+](C)C)C[C@](C#N)([NH2+]C(C)C)C1CC1	ZINC000069079215	519716349	/nfs/dbraw/zinc/71/63/49/519716349.db2.gz	SPXUTEGPKCECTM-KRWDZBQOSA-N	2	2	294.487	2.176	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1	ZINC000068616434	520033475	/nfs/dbraw/zinc/03/34/75/520033475.db2.gz	RKHMRZXMFOYYAC-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1	ZINC000068616434	520033483	/nfs/dbraw/zinc/03/34/83/520033483.db2.gz	RKHMRZXMFOYYAC-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612943	520131563	/nfs/dbraw/zinc/13/15/63/520131563.db2.gz	QEIJOGRRZNNTIH-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612943	520131571	/nfs/dbraw/zinc/13/15/71/520131571.db2.gz	QEIJOGRRZNNTIH-GOEBONIOSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(C#N)cc1	ZINC000062803061	522337734	/nfs/dbraw/zinc/33/77/34/522337734.db2.gz	HPEWMYJWCNJGKK-AWEZNQCLSA-N	2	2	254.337	2.083	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609853	523342279	/nfs/dbraw/zinc/34/22/79/523342279.db2.gz	FDIGPPOLTGVVHK-BBRMVZONSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609853	523342287	/nfs/dbraw/zinc/34/22/87/523342287.db2.gz	FDIGPPOLTGVVHK-BBRMVZONSA-N	2	2	290.382	2.135	10	30		CEEELP
Cc1cc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)[nH+]1	ZINC000328640189	344757438	/nfs/dbraw/zinc/75/74/38/344757438.db2.gz	XHPIIHHLIPNHHF-CQSZACIVSA-N	2	2	295.390	2.465	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1	ZINC000086037743	179221589	/nfs/dbraw/zinc/22/15/89/179221589.db2.gz	FDBJHQDWMHQOSP-KLHKWILBSA-N	2	2	281.403	2.437	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1	ZINC000086037743	179221590	/nfs/dbraw/zinc/22/15/90/179221590.db2.gz	FDBJHQDWMHQOSP-KLHKWILBSA-N	2	2	281.403	2.437	10	30		CEEELP
C[N@@H+]1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037432	179221736	/nfs/dbraw/zinc/22/17/36/179221736.db2.gz	QQYPPRVFXYYEHW-KLAILNCOSA-N	2	2	269.392	2.294	10	30		CEEELP
C[N@H+]1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1	ZINC000086037432	179221738	/nfs/dbraw/zinc/22/17/38/179221738.db2.gz	QQYPPRVFXYYEHW-KLAILNCOSA-N	2	2	269.392	2.294	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCCN1CC[NH+](CCC)CC1	ZINC000045306466	175355718	/nfs/dbraw/zinc/35/57/18/175355718.db2.gz	MRIZNAFTFGTWLO-KRWDZBQOSA-N	2	2	294.487	2.466	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1	ZINC000045311485	175356779	/nfs/dbraw/zinc/35/67/79/175356779.db2.gz	SCPIQNBUVCPIFY-MRXNPFEDSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+]1CCOCC1(C)C	ZINC000045317571	175358094	/nfs/dbraw/zinc/35/80/94/175358094.db2.gz	MMHXBFWURCHHOL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+]1CCOCC1(C)C	ZINC000045317571	175358095	/nfs/dbraw/zinc/35/80/95/175358095.db2.gz	MMHXBFWURCHHOL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612940	520224517	/nfs/dbraw/zinc/22/45/17/520224517.db2.gz	QEIJOGRRZNNTIH-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCN[C@](C)(C#N)C[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612940	520224529	/nfs/dbraw/zinc/22/45/29/520224529.db2.gz	QEIJOGRRZNNTIH-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055069984	520031427	/nfs/dbraw/zinc/03/14/27/520031427.db2.gz	UXMHLNZMCGFMGU-JKSUJKDBSA-N	2	2	280.460	2.074	10	30		CEEELP
Cc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)[nH+]1	ZINC000328640188	344757250	/nfs/dbraw/zinc/75/72/50/344757250.db2.gz	XHPIIHHLIPNHHF-AWEZNQCLSA-N	2	2	295.390	2.465	10	30		CEEELP
CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1	ZINC000110942792	186334595	/nfs/dbraw/zinc/33/45/95/186334595.db2.gz	NQEPXUKTNYKQAS-OAHLLOKOSA-N	2	2	273.380	2.011	10	30		CEEELP
CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1	ZINC000110942792	186334596	/nfs/dbraw/zinc/33/45/96/186334596.db2.gz	NQEPXUKTNYKQAS-OAHLLOKOSA-N	2	2	273.380	2.011	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1	ZINC000111169222	186365468	/nfs/dbraw/zinc/36/54/68/186365468.db2.gz	MPDAHCUAMVNVCJ-HNNXBMFYSA-N	2	2	267.417	2.017	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CC1CCOCC1	ZINC000111169222	186365469	/nfs/dbraw/zinc/36/54/69/186365469.db2.gz	MPDAHCUAMVNVCJ-HNNXBMFYSA-N	2	2	267.417	2.017	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccco2)CC1	ZINC000037232929	173051901	/nfs/dbraw/zinc/05/19/01/173051901.db2.gz	RIKACAJXDYMIOM-AWEZNQCLSA-N	2	2	260.381	2.288	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)Cc2cccs2)CC1	ZINC000037291721	173096615	/nfs/dbraw/zinc/09/66/15/173096615.db2.gz	QQGHCASLUBLMDS-CYBMUJFWSA-N	2	2	262.422	2.366	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307909	175356867	/nfs/dbraw/zinc/35/68/67/175356867.db2.gz	HQAVGCBYSBNBGX-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307909	175356868	/nfs/dbraw/zinc/35/68/68/175356868.db2.gz	HQAVGCBYSBNBGX-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(OCC)CC1	ZINC000045313020	175357203	/nfs/dbraw/zinc/35/72/03/175357203.db2.gz	KLSCJQQKJRKWCT-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317190	175358203	/nfs/dbraw/zinc/35/82/03/175358203.db2.gz	RORNZRRPYLOCHU-QGZVFWFLSA-N	3	2	294.487	2.465	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317190	175358205	/nfs/dbraw/zinc/35/82/05/175358205.db2.gz	RORNZRRPYLOCHU-QGZVFWFLSA-N	3	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1	ZINC000069079244	520100465	/nfs/dbraw/zinc/10/04/65/520100465.db2.gz	FUKKMKWCDRAAGD-QGZVFWFLSA-N	2	2	294.487	2.178	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613195	520226038	/nfs/dbraw/zinc/22/60/38/520226038.db2.gz	ARHCMDJGXNXRQV-HOCLYGCPSA-N	2	2	280.460	2.073	10	30		CEEELP
Cc1cc(N(C)CC2CC[NH+](C)CC2)c(C#N)c(C)[nH+]1	ZINC000156581120	525027207	/nfs/dbraw/zinc/02/72/07/525027207.db2.gz	YLYFDEZITCQPJV-UHFFFAOYSA-N	2	2	272.396	2.348	10	30		CEEELP
C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccnc1C#N	ZINC000061656989	526248675	/nfs/dbraw/zinc/24/86/75/526248675.db2.gz	RNVOEPYKFMTMQU-AWEZNQCLSA-N	2	2	272.396	2.307	10	30		CEEELP
C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccnc1C#N	ZINC000061656989	526248680	/nfs/dbraw/zinc/24/86/80/526248680.db2.gz	RNVOEPYKFMTMQU-AWEZNQCLSA-N	2	2	272.396	2.307	10	30		CEEELP
C[N@H+](CC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1	ZINC000086038144	179221135	/nfs/dbraw/zinc/22/11/35/179221135.db2.gz	OACRIYJVEOUBEN-UHFFFAOYSA-N	2	2	269.392	2.294	10	30		CEEELP
C[N@@H+](CC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1	ZINC000086038144	179221138	/nfs/dbraw/zinc/22/11/38/179221138.db2.gz	OACRIYJVEOUBEN-UHFFFAOYSA-N	2	2	269.392	2.294	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169114	186364794	/nfs/dbraw/zinc/36/47/94/186364794.db2.gz	SCGNRNQNVRHSSS-JKSUJKDBSA-N	2	2	281.444	2.405	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169114	186364795	/nfs/dbraw/zinc/36/47/95/186364795.db2.gz	SCGNRNQNVRHSSS-JKSUJKDBSA-N	2	2	281.444	2.405	10	30		CEEELP
C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(OCC#N)cc1	ZINC000040639121	174364071	/nfs/dbraw/zinc/36/40/71/174364071.db2.gz	RXZFQLJWYFKALK-CYBMUJFWSA-N	2	2	284.363	2.216	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307906	175356459	/nfs/dbraw/zinc/35/64/59/175356459.db2.gz	HQAVGCBYSBNBGX-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307906	175356460	/nfs/dbraw/zinc/35/64/60/175356460.db2.gz	HQAVGCBYSBNBGX-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1	ZINC000045311477	175356840	/nfs/dbraw/zinc/35/68/40/175356840.db2.gz	DGVPHMHVVGFVFJ-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC	ZINC000045312030	175357020	/nfs/dbraw/zinc/35/70/20/175357020.db2.gz	VFJNVSROXWYSJJ-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOC[C@@H]1CC	ZINC000045312030	175357021	/nfs/dbraw/zinc/35/70/21/175357021.db2.gz	VFJNVSROXWYSJJ-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](CCOC)CC(C)C	ZINC000045314974	175357234	/nfs/dbraw/zinc/35/72/34/175357234.db2.gz	BJEFARILXZBCHO-HNNXBMFYSA-N	2	2	269.433	2.263	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](CCOC)CC(C)C	ZINC000045314974	175357236	/nfs/dbraw/zinc/35/72/36/175357236.db2.gz	BJEFARILXZBCHO-HNNXBMFYSA-N	2	2	269.433	2.263	10	30		CEEELP
CC[C@H]1COCC[N@@H+]1CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045312037	175357262	/nfs/dbraw/zinc/35/72/62/175357262.db2.gz	DKEHJLLTLKWFPI-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@H]1COCC[N@H+]1CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045312037	175357263	/nfs/dbraw/zinc/35/72/63/175357263.db2.gz	DKEHJLLTLKWFPI-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(C#N)cc1F	ZINC000062803024	522646647	/nfs/dbraw/zinc/64/66/47/522646647.db2.gz	IRGITRHJTYCOBJ-CYBMUJFWSA-N	2	2	272.327	2.222	10	30		CEEELP
Cc1cc(N(C)CC[NH+]2CCCC2)c(C#N)c(C)[nH+]1	ZINC000157431988	525026920	/nfs/dbraw/zinc/02/69/20/525026920.db2.gz	YUWVMGFYYXYJPJ-UHFFFAOYSA-N	2	2	258.369	2.102	10	30		CEEELP
Cc1cc(NC(=O)c2cccc(C#CC[NH3+])c2C)cc[nH+]1	ZINC000092365931	180369426	/nfs/dbraw/zinc/36/94/26/180369426.db2.gz	FZHSNQQKOMRNCJ-UHFFFAOYSA-N	2	2	279.343	2.261	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CC)CCOCC	ZINC000111121547	186355422	/nfs/dbraw/zinc/35/54/22/186355422.db2.gz	UIUZETBNPMZJRQ-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CC)CCOCC	ZINC000111121547	186355424	/nfs/dbraw/zinc/35/54/24/186355424.db2.gz	UIUZETBNPMZJRQ-HNNXBMFYSA-N	2	2	269.433	2.407	10	30		CEEELP
C=C(Br)C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1	ZINC000045135011	175312586	/nfs/dbraw/zinc/31/25/86/175312586.db2.gz	KPTMQZOLUBBBDG-NSHDSACASA-N	2	2	261.207	2.215	10	30		CEEELP
C=C(Br)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1	ZINC000045135011	175312588	/nfs/dbraw/zinc/31/25/88/175312588.db2.gz	KPTMQZOLUBBBDG-NSHDSACASA-N	2	2	261.207	2.215	10	30		CEEELP
CCC[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045306446	175355574	/nfs/dbraw/zinc/35/55/74/175355574.db2.gz	XQGORJLFEKYHLH-INIZCTEOSA-N	2	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+](CCC)CC1	ZINC000045306442	175356029	/nfs/dbraw/zinc/35/60/29/175356029.db2.gz	ZXKHHALLIXBASZ-INIZCTEOSA-N	2	2	280.460	2.076	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1	ZINC000045311113	175356384	/nfs/dbraw/zinc/35/63/84/175356384.db2.gz	KWTUMGFBKXDRQO-MRXNPFEDSA-N	3	2	280.460	2.074	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[NH+]1CCC(OC)CC1	ZINC000045310299	175356708	/nfs/dbraw/zinc/35/67/08/175356708.db2.gz	ZTXFPRNXJOJOHG-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)CN(CC[NH+](C)C)C[C@@](C#N)([NH2+]C(C)C)C1CC1	ZINC000069079218	519716176	/nfs/dbraw/zinc/71/61/76/519716176.db2.gz	SPXUTEGPKCECTM-QGZVFWFLSA-N	2	2	294.487	2.176	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070194	520225526	/nfs/dbraw/zinc/22/55/26/520225526.db2.gz	PHGZXBJOEQGIPC-SJORKVTESA-N	2	2	294.487	2.465	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613202	519739256	/nfs/dbraw/zinc/73/92/56/519739256.db2.gz	UFSAITGYUNGBES-WBVHZDCISA-N	2	2	294.487	2.461	10	30		CEEELP
CCC[NH2+][C@@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1	ZINC000069079247	520028958	/nfs/dbraw/zinc/02/89/58/520028958.db2.gz	FUKKMKWCDRAAGD-KRWDZBQOSA-N	2	2	294.487	2.178	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](CC(C)C)CC1	ZINC000068615089	520034442	/nfs/dbraw/zinc/03/44/42/520034442.db2.gz	BJQKNWQXKGKTLR-DLBZAZTESA-N	2	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068614995	520034636	/nfs/dbraw/zinc/03/46/36/520034636.db2.gz	GATUIHQXWVJPFO-YESZJQIVSA-N	2	2	294.487	2.463	10	30		CEEELP
CCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612933	520225392	/nfs/dbraw/zinc/22/53/92/520225392.db2.gz	QEIJOGRRZNNTIH-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
CCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612933	520225397	/nfs/dbraw/zinc/22/53/97/520225397.db2.gz	QEIJOGRRZNNTIH-ZBFHGGJFSA-N	2	2	280.460	2.073	10	30		CEEELP
C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccnc1C#N	ZINC000061656988	524109149	/nfs/dbraw/zinc/10/91/49/524109149.db2.gz	RNVOEPYKFMTMQU-CQSZACIVSA-N	2	2	272.396	2.307	10	30		CEEELP
C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccnc1C#N	ZINC000061656988	524109155	/nfs/dbraw/zinc/10/91/55/524109155.db2.gz	RNVOEPYKFMTMQU-CQSZACIVSA-N	2	2	272.396	2.307	10	30		CEEELP
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000128046282	187348269	/nfs/dbraw/zinc/34/82/69/187348269.db2.gz	WHMJTNIACLEYLW-HUUCEWRRSA-N	2	2	277.412	2.410	10	30		CEEELP
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000128046282	187348270	/nfs/dbraw/zinc/34/82/70/187348270.db2.gz	WHMJTNIACLEYLW-HUUCEWRRSA-N	2	2	277.412	2.410	10	30		CEEELP
C[C@@]([NH3+])(C#N)CCCC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000045313158	175357518	/nfs/dbraw/zinc/35/75/18/175357518.db2.gz	RWWFWEOTBXFCTH-KRWDZBQOSA-N	3	2	292.471	2.348	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611468	519735479	/nfs/dbraw/zinc/73/54/79/519735479.db2.gz	QTEMECFHDVNLEN-GDBMZVCRSA-N	2	2	280.460	2.071	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611468	519735480	/nfs/dbraw/zinc/73/54/80/519735480.db2.gz	QTEMECFHDVNLEN-GDBMZVCRSA-N	2	2	280.460	2.071	10	30		CEEELP
CC[NH+]1CCC(N(C)C[C@](C#N)([NH2+]C(C)C)C2CC2)CC1	ZINC000069080092	521563886	/nfs/dbraw/zinc/56/38/86/521563886.db2.gz	ZLMXBFXPEFQVJP-KRWDZBQOSA-N	2	2	292.471	2.073	10	30		CEEELP
CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C)c1C#N	ZINC000127355614	187299743	/nfs/dbraw/zinc/29/97/43/187299743.db2.gz	SIONABKBJTWGED-AWEZNQCLSA-N	2	2	272.396	2.491	10	30		CEEELP
CC[N@H+]1CCC[C@H]1CN(C)c1cc(C)[nH+]c(C)c1C#N	ZINC000127355614	187299745	/nfs/dbraw/zinc/29/97/45/187299745.db2.gz	SIONABKBJTWGED-AWEZNQCLSA-N	2	2	272.396	2.491	10	30		CEEELP
C=C(C)[C@H]([NH2+]CC)C1([NH+]2CCOCC2)CCCC1	ZINC000092128404	180329051	/nfs/dbraw/zinc/32/90/51/180329051.db2.gz	SPIUMRMABLITND-AWEZNQCLSA-N	2	2	252.402	2.186	10	30		CEEELP
Cc1cc(NC(=O)c2ccc(F)cc2C#CC[NH3+])cc[nH+]1	ZINC000092365946	180369122	/nfs/dbraw/zinc/36/91/22/180369122.db2.gz	OJJWTYCAUKHQFD-UHFFFAOYSA-N	2	2	283.306	2.092	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1	ZINC000092812594	364109384	/nfs/dbraw/zinc/10/93/84/364109384.db2.gz	FETUBQZDLFELFA-ZDUSSCGKSA-N	2	2	282.347	2.480	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1	ZINC000092812594	364109386	/nfs/dbraw/zinc/10/93/86/364109386.db2.gz	FETUBQZDLFELFA-ZDUSSCGKSA-N	2	2	282.347	2.480	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1	ZINC000177101338	165185987	/nfs/dbraw/zinc/18/59/87/165185987.db2.gz	FDBNTVMNWQPEPI-MRXNPFEDSA-N	2	2	266.348	2.419	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1	ZINC000177101338	165185992	/nfs/dbraw/zinc/18/59/92/165185992.db2.gz	FDBNTVMNWQPEPI-MRXNPFEDSA-N	2	2	266.348	2.419	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)CCc1ccccn1	ZINC000045306015	175355595	/nfs/dbraw/zinc/35/55/95/175355595.db2.gz	HTWDBUXHGNNZBI-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)CCc1ccccn1	ZINC000045306015	175355597	/nfs/dbraw/zinc/35/55/97/175355597.db2.gz	HTWDBUXHGNNZBI-MRXNPFEDSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[N@H+](Cc1ccc(F)cc1C#N)C1CC[NH2+]CC1	ZINC000071264246	176097294	/nfs/dbraw/zinc/09/72/94/176097294.db2.gz	SSAXTHVGQBNDBW-UHFFFAOYSA-N	2	2	261.344	2.271	10	30		CEEELP
CC[N@@H+](Cc1ccc(F)cc1C#N)C1CC[NH2+]CC1	ZINC000071264246	176097296	/nfs/dbraw/zinc/09/72/96/176097296.db2.gz	SSAXTHVGQBNDBW-UHFFFAOYSA-N	2	2	261.344	2.271	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068614991	520102680	/nfs/dbraw/zinc/10/26/80/520102680.db2.gz	GATUIHQXWVJPFO-ULQDDVLXSA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613178	520032387	/nfs/dbraw/zinc/03/23/87/520032387.db2.gz	HIYBRZDEMFDZRU-NVXWUHKLSA-N	2	2	294.487	2.463	10	30		CEEELP
C[N@H+](Cc1cccnc1)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609285	523417151	/nfs/dbraw/zinc/41/71/51/523417151.db2.gz	UFJVFACUFQTZED-UHFFFAOYSA-N	2	2	283.350	2.163	10	30		CEEELP
C[N@@H+](Cc1cccnc1)Cc1ccc(C#CC[NH3+])cc1F	ZINC000049609285	523417159	/nfs/dbraw/zinc/41/71/59/523417159.db2.gz	UFJVFACUFQTZED-UHFFFAOYSA-N	2	2	283.350	2.163	10	30		CEEELP
CC[C@@H]1CN([C@@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC[N@@H+]1C	ZINC000068616395	523464772	/nfs/dbraw/zinc/46/47/72/523464772.db2.gz	IIIBMSBWFZUVSU-XHSDSOJGSA-N	2	2	280.460	2.071	10	30		CEEELP
CC[C@@H]1CN([C@@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC[N@H+]1C	ZINC000068616395	523464779	/nfs/dbraw/zinc/46/47/79/523464779.db2.gz	IIIBMSBWFZUVSU-XHSDSOJGSA-N	2	2	280.460	2.071	10	30		CEEELP
C=C(C)C[C@H]([NH2+]C)C1([NH+]2CCOCC2)CCCC1	ZINC000092130259	180329974	/nfs/dbraw/zinc/32/99/74/180329974.db2.gz	ZYRGEQXDVXKABZ-AWEZNQCLSA-N	2	2	252.402	2.186	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169286	186364817	/nfs/dbraw/zinc/36/48/17/186364817.db2.gz	BZVSSDDYWOUHAG-INIZCTEOSA-N	2	2	281.444	2.405	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169286	186364818	/nfs/dbraw/zinc/36/48/18/186364818.db2.gz	BZVSSDDYWOUHAG-INIZCTEOSA-N	2	2	281.444	2.405	10	30		CEEELP
C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1	ZINC000181559961	368470101	/nfs/dbraw/zinc/47/01/01/368470101.db2.gz	XUBYKWGFRLFNPK-YOEHRIQHSA-N	2	2	287.407	2.056	10	30		CEEELP
Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000220897862	394461772	/nfs/dbraw/zinc/46/17/72/394461772.db2.gz	NLBZZZQMFRRHNW-HOCLYGCPSA-N	2	2	284.407	2.491	10	30		CEEELP
Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000220897862	394461775	/nfs/dbraw/zinc/46/17/75/394461775.db2.gz	NLBZZZQMFRRHNW-HOCLYGCPSA-N	2	2	284.407	2.491	10	30		CEEELP
Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C#N)c(C)[nH+]1	ZINC000156591980	395033398	/nfs/dbraw/zinc/03/33/98/395033398.db2.gz	PBODXILEPUZZRQ-CQSZACIVSA-N	2	2	270.380	2.245	10	30		CEEELP
Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)c(C#N)c(C)[nH+]1	ZINC000156591980	395033400	/nfs/dbraw/zinc/03/34/00/395033400.db2.gz	PBODXILEPUZZRQ-CQSZACIVSA-N	2	2	270.380	2.245	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000040601097	174351294	/nfs/dbraw/zinc/35/12/94/174351294.db2.gz	YOLSGZOIBOHPLQ-CYBMUJFWSA-N	2	2	261.344	2.129	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000040601097	174351295	/nfs/dbraw/zinc/35/12/95/174351295.db2.gz	YOLSGZOIBOHPLQ-CYBMUJFWSA-N	2	2	261.344	2.129	10	30		CEEELP
COCC[NH+](CCCC[C@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045318625	175358876	/nfs/dbraw/zinc/35/88/76/175358876.db2.gz	LLWNCLWEFRVEEQ-MRXNPFEDSA-N	2	2	299.459	2.032	10	30		CEEELP
CC(C)C[NH+]1CCN([C@@H](C)C[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615132	519727377	/nfs/dbraw/zinc/72/73/77/519727377.db2.gz	ATQFAWFTAOSBEJ-IRXDYDNUSA-N	2	2	294.487	2.319	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615984	519739360	/nfs/dbraw/zinc/73/93/60/519739360.db2.gz	MCQOULXDQVYZBS-IKGGRYGDSA-N	2	2	292.471	2.215	10	30		CEEELP
CC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000068615001	520224728	/nfs/dbraw/zinc/22/47/28/520224728.db2.gz	AMOXSLYHKSHNFI-JYJNAYRXSA-N	2	2	280.460	2.073	10	30		CEEELP
C=C(C)[C@@H]([NH2+]CC)C1([NH+]2CCOCC2)CCCC1	ZINC000092128405	180328855	/nfs/dbraw/zinc/32/88/55/180328855.db2.gz	SPIUMRMABLITND-CQSZACIVSA-N	2	2	252.402	2.186	10	30		CEEELP
C[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)CC1CCOCC1	ZINC000111169217	186364900	/nfs/dbraw/zinc/36/49/00/186364900.db2.gz	LDKBADQLBVHZSW-INIZCTEOSA-N	2	2	279.428	2.159	10	30		CEEELP
C[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)CC1CCOCC1	ZINC000111169217	186364902	/nfs/dbraw/zinc/36/49/02/186364902.db2.gz	LDKBADQLBVHZSW-INIZCTEOSA-N	2	2	279.428	2.159	10	30		CEEELP
C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000247648377	371131930	/nfs/dbraw/zinc/13/19/30/371131930.db2.gz	WHMJTNIACLEYLW-GJZGRUSLSA-N	2	2	277.412	2.410	10	30		CEEELP
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1	ZINC000247648377	371131934	/nfs/dbraw/zinc/13/19/34/371131934.db2.gz	WHMJTNIACLEYLW-GJZGRUSLSA-N	2	2	277.412	2.410	10	30		CEEELP
C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1	ZINC000389140413	375298658	/nfs/dbraw/zinc/29/86/58/375298658.db2.gz	GXHXVPVRURTDDG-HNNXBMFYSA-N	2	2	260.381	2.435	10	30		CEEELP
C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1	ZINC000389140413	375298664	/nfs/dbraw/zinc/29/86/64/375298664.db2.gz	GXHXVPVRURTDDG-HNNXBMFYSA-N	2	2	260.381	2.435	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@H+](C)CCc1ccncc1	ZINC000045312674	175357543	/nfs/dbraw/zinc/35/75/43/175357543.db2.gz	BGUHDYJIZCYSBL-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCC[N@@H+](C)CCc1ccncc1	ZINC000045312674	175357544	/nfs/dbraw/zinc/35/75/44/175357544.db2.gz	BGUHDYJIZCYSBL-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316882	175357693	/nfs/dbraw/zinc/35/76/93/175357693.db2.gz	IQEIQIZQTBWEFQ-AWEZNQCLSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316882	175357694	/nfs/dbraw/zinc/35/76/94/175357694.db2.gz	IQEIQIZQTBWEFQ-AWEZNQCLSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)C1CC1	ZINC000045316735	175357871	/nfs/dbraw/zinc/35/78/71/175357871.db2.gz	YNQYSXIAAPYECL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)C1CC1	ZINC000045316735	175357872	/nfs/dbraw/zinc/35/78/72/175357872.db2.gz	YNQYSXIAAPYECL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318446	175359261	/nfs/dbraw/zinc/35/92/61/175359261.db2.gz	NVHKTEGYTVXCCK-KRWDZBQOSA-N	2	2	294.487	2.465	10	30		CEEELP
Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(C#N)c(C)[nH+]1	ZINC000157455239	301337063	/nfs/dbraw/zinc/33/70/63/301337063.db2.gz	AKWREHYUYGDOFZ-ZDUSSCGKSA-N	2	2	258.369	2.101	10	30		CEEELP
CC(C)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1	ZINC000068757861	519723674	/nfs/dbraw/zinc/72/36/74/519723674.db2.gz	XXXMKTFJMRDQIZ-HNNXBMFYSA-N	2	2	272.396	2.163	10	30		CEEELP
CC(C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1	ZINC000068757861	519723677	/nfs/dbraw/zinc/72/36/77/519723677.db2.gz	XXXMKTFJMRDQIZ-HNNXBMFYSA-N	2	2	272.396	2.163	10	30		CEEELP
CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1	ZINC000068612937	520128711	/nfs/dbraw/zinc/12/87/11/520128711.db2.gz	QEIJOGRRZNNTIH-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000068612937	520128717	/nfs/dbraw/zinc/12/87/17/520128717.db2.gz	QEIJOGRRZNNTIH-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070131	520128796	/nfs/dbraw/zinc/12/87/96/520128796.db2.gz	WUKWMPFDRZWXCX-HZPDHXFCSA-N	2	2	280.460	2.074	10	30		CEEELP
CN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000068612101	522406367	/nfs/dbraw/zinc/40/63/67/522406367.db2.gz	DSAANVCVKLKLCN-NVXWUHKLSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609848	523508404	/nfs/dbraw/zinc/50/84/04/523508404.db2.gz	SHCOXBITNBIDJD-SUMWQHHRSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609848	523508406	/nfs/dbraw/zinc/50/84/06/523508406.db2.gz	SHCOXBITNBIDJD-SUMWQHHRSA-N	2	2	290.382	2.135	10	30		CEEELP
Cn1cc[nH+]c1CC[NH2+][C@@H](CC#N)c1ccccc1	ZINC000055018827	527430186	/nfs/dbraw/zinc/43/01/86/527430186.db2.gz	YJIYHXOCMXJLHR-AWEZNQCLSA-N	2	2	254.337	2.207	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]CC2(O)CCC(CC)CC2)CC1	ZINC000087052933	179388980	/nfs/dbraw/zinc/38/89/80/179388980.db2.gz	KMCCQMWFKQBOLK-UHFFFAOYSA-N	2	2	278.440	2.005	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)c2c(C)noc2C)CC1	ZINC000092327407	180362995	/nfs/dbraw/zinc/36/29/95/180362995.db2.gz	KGHGKPDIFOVSFA-LLVKDONJSA-N	2	2	261.369	2.040	10	30		CEEELP
C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1	ZINC000181559776	368470054	/nfs/dbraw/zinc/47/00/54/368470054.db2.gz	IVJCGTUPVWYVBB-WMLDXEAASA-N	2	2	287.407	2.056	10	30		CEEELP
Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000220897809	394461861	/nfs/dbraw/zinc/46/18/61/394461861.db2.gz	NLBZZZQMFRRHNW-GOEBONIOSA-N	2	2	284.407	2.491	10	30		CEEELP
Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C#N)c(C)[nH+]1	ZINC000220897809	394461864	/nfs/dbraw/zinc/46/18/64/394461864.db2.gz	NLBZZZQMFRRHNW-GOEBONIOSA-N	2	2	284.407	2.491	10	30		CEEELP
N#CCSCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000173897244	395116862	/nfs/dbraw/zinc/11/68/62/395116862.db2.gz	TWTOLTGKMYIDEN-CQSZACIVSA-N	2	2	290.436	2.462	10	30		CEEELP
N#CCSCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000173897244	395116864	/nfs/dbraw/zinc/11/68/64/395116864.db2.gz	TWTOLTGKMYIDEN-CQSZACIVSA-N	2	2	290.436	2.462	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)Cc2sccc2C#CCO)CC1	ZINC000043682063	175091041	/nfs/dbraw/zinc/09/10/41/175091041.db2.gz	LDZRNWMDWJSTSG-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)Cc2sccc2C#CCO)CC1	ZINC000043682063	175091042	/nfs/dbraw/zinc/09/10/42/175091042.db2.gz	LDZRNWMDWJSTSG-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
CC[N@@H+](Cc1sccc1C#CC[NH3+])C[C@H](C)C#N	ZINC000043684145	175092742	/nfs/dbraw/zinc/09/27/42/175092742.db2.gz	XABJZGSHBQYGMA-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[N@H+](Cc1sccc1C#CC[NH3+])C[C@H](C)C#N	ZINC000043684145	175092743	/nfs/dbraw/zinc/09/27/43/175092743.db2.gz	XABJZGSHBQYGMA-GFCCVEGCSA-N	2	2	261.394	2.040	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)Cc2cc(C#CCO)cs2)CC1	ZINC000043698758	175096836	/nfs/dbraw/zinc/09/68/36/175096836.db2.gz	KKKDSZSOUYEVOO-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)Cc2cc(C#CCO)cs2)CC1	ZINC000043698758	175096839	/nfs/dbraw/zinc/09/68/39/175096839.db2.gz	KKKDSZSOUYEVOO-UHFFFAOYSA-N	2	2	292.448	2.008	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CC[C@](C)(C#N)NC(C)C)CC1	ZINC000045182547	175325918	/nfs/dbraw/zinc/32/59/18/175325918.db2.gz	ILKJDFMFLDAODW-MRXNPFEDSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CC[C@](C)(C#N)NC(C)C)CC1	ZINC000045182547	175325920	/nfs/dbraw/zinc/32/59/20/175325920.db2.gz	ILKJDFMFLDAODW-MRXNPFEDSA-N	2	2	280.460	2.073	10	30		CEEELP
COC1CC[NH+](CCC[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000045310308	175356272	/nfs/dbraw/zinc/35/62/72/175356272.db2.gz	RMNUHSUVHIWTKB-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC	ZINC000045314215	175356996	/nfs/dbraw/zinc/35/69/96/175356996.db2.gz	SHDQPIQLZGXJNH-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314215	175356997	/nfs/dbraw/zinc/35/69/97/175356997.db2.gz	SHDQPIQLZGXJNH-UONOGXRCSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C	ZINC000045313991	175357211	/nfs/dbraw/zinc/35/72/11/175357211.db2.gz	FOTVOYDNHRMLTB-MRXNPFEDSA-N	2	2	282.476	2.178	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCN(C)C)CC(C)C	ZINC000045313991	175357212	/nfs/dbraw/zinc/35/72/12/175357212.db2.gz	FOTVOYDNHRMLTB-MRXNPFEDSA-N	2	2	282.476	2.178	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616199	519739483	/nfs/dbraw/zinc/73/94/83/519739483.db2.gz	GMFFVRIQBIIYPX-CVEARBPZSA-N	2	2	280.460	2.073	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613210	519739164	/nfs/dbraw/zinc/73/91/64/519739164.db2.gz	UFSAITGYUNGBES-RDJZCZTQSA-N	2	2	294.487	2.461	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611648	520033861	/nfs/dbraw/zinc/03/38/61/520033861.db2.gz	RSJMPDMXUGOXDI-JKSUJKDBSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[C@@H](C)[NH+]1CCN(CC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055069992	522121913	/nfs/dbraw/zinc/12/19/13/522121913.db2.gz	XQGUVBNWBRQTGK-CVEARBPZSA-N	2	2	280.460	2.073	10	30		CEEELP
N#Cc1ccc([C@@H]([NH3+])[C@@H]([NH3+])c2ccc(C#N)cc2)cc1	ZINC000039192885	283186185	/nfs/dbraw/zinc/18/61/85/283186185.db2.gz	MESREGXFTNLKRB-IYBDPMFKSA-N	2	2	262.316	2.130	10	30		CEEELP
C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C1	ZINC000389522141	375305282	/nfs/dbraw/zinc/30/52/82/375305282.db2.gz	HDSWSSIKMXYPJC-OAHLLOKOSA-N	2	2	260.381	2.435	10	30		CEEELP
C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C1	ZINC000389522141	375305287	/nfs/dbraw/zinc/30/52/87/375305287.db2.gz	HDSWSSIKMXYPJC-OAHLLOKOSA-N	2	2	260.381	2.435	10	30		CEEELP
CC[C@@H](C)[N@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317882	175359426	/nfs/dbraw/zinc/35/94/26/175359426.db2.gz	GNGHBMIWUNWOPE-KGLIPLIRSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[C@@H](C)[N@@H+](CCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317882	175359428	/nfs/dbraw/zinc/35/94/28/175359428.db2.gz	GNGHBMIWUNWOPE-KGLIPLIRSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](CCC)CC1	ZINC000068611235	520103217	/nfs/dbraw/zinc/10/32/17/520103217.db2.gz	OBFAVQCOMIJCPD-HOTGVXAUSA-N	2	2	280.460	2.074	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615987	519735712	/nfs/dbraw/zinc/73/57/12/519735712.db2.gz	MCQOULXDQVYZBS-IXDOHACOSA-N	2	2	292.471	2.215	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1	ZINC000068611636	520103095	/nfs/dbraw/zinc/10/30/95/520103095.db2.gz	RSJMPDMXUGOXDI-CVEARBPZSA-N	2	2	280.460	2.073	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000068615607	520103134	/nfs/dbraw/zinc/10/31/34/520103134.db2.gz	DOWYURJAHWOHLH-ZACQAIPSSA-N	2	2	292.471	2.217	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000068615607	520103139	/nfs/dbraw/zinc/10/31/39/520103139.db2.gz	DOWYURJAHWOHLH-ZACQAIPSSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)[C@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068612912	521566365	/nfs/dbraw/zinc/56/63/65/521566365.db2.gz	OLZZLDSLIHNRLJ-PBHICJAKSA-N	2	2	292.471	2.215	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)[C@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068612912	521566375	/nfs/dbraw/zinc/56/63/75/521566375.db2.gz	OLZZLDSLIHNRLJ-PBHICJAKSA-N	2	2	292.471	2.215	10	30		CEEELP
Cc1cc(NCCCn2cc[nH+]c2)c(C#N)c(C)[nH+]1	ZINC000157385144	525269857	/nfs/dbraw/zinc/26/98/57/525269857.db2.gz	WGLASPAMCUEWMA-UHFFFAOYSA-N	2	2	255.325	2.269	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169322	186365062	/nfs/dbraw/zinc/36/50/62/186365062.db2.gz	MKVIJPPJZNZMOJ-INIZCTEOSA-N	2	2	281.444	2.407	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169322	186365063	/nfs/dbraw/zinc/36/50/63/186365063.db2.gz	MKVIJPPJZNZMOJ-INIZCTEOSA-N	2	2	281.444	2.407	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1	ZINC000111169235	186365400	/nfs/dbraw/zinc/36/54/00/186365400.db2.gz	KTRHCYCCIYBRFY-OAHLLOKOSA-N	2	2	267.417	2.017	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)CC1CCOCC1	ZINC000111169235	186365402	/nfs/dbraw/zinc/36/54/02/186365402.db2.gz	KTRHCYCCIYBRFY-OAHLLOKOSA-N	2	2	267.417	2.017	10	30		CEEELP
C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C1	ZINC000389522137	375306279	/nfs/dbraw/zinc/30/62/79/375306279.db2.gz	HDSWSSIKMXYPJC-HNNXBMFYSA-N	2	2	260.381	2.435	10	30		CEEELP
C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C1	ZINC000389522137	375306284	/nfs/dbraw/zinc/30/62/84/375306284.db2.gz	HDSWSSIKMXYPJC-HNNXBMFYSA-N	2	2	260.381	2.435	10	30		CEEELP
C[N@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040746955	174392254	/nfs/dbraw/zinc/39/22/54/174392254.db2.gz	UCZLEOOHYVUZHP-YIONKMFJSA-N	2	2	273.355	2.412	10	30		CEEELP
C[N@@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040746955	174392256	/nfs/dbraw/zinc/39/22/56/174392256.db2.gz	UCZLEOOHYVUZHP-YIONKMFJSA-N	2	2	273.355	2.412	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311524	175356699	/nfs/dbraw/zinc/35/66/99/175356699.db2.gz	KNTFWMJBNGIKQX-QGZVFWFLSA-N	2	2	294.487	2.463	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(OC)CC1	ZINC000045310302	175356821	/nfs/dbraw/zinc/35/68/21/175356821.db2.gz	ZTXFPRNXJOJOHG-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC(C)C[NH+]1CCN(CCC[C@@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000055081120	519726229	/nfs/dbraw/zinc/72/62/29/519726229.db2.gz	XFWPDIBMZGMFMA-KRWDZBQOSA-N	2	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@H](C)N1CC[NH+](CCC)CC1	ZINC000068611239	520033890	/nfs/dbraw/zinc/03/38/90/520033890.db2.gz	OBFAVQCOMIJCPD-JKSUJKDBSA-N	2	2	280.460	2.074	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](CC(C)C)CC1	ZINC000055081142	520128099	/nfs/dbraw/zinc/12/80/99/520128099.db2.gz	AHVIOIZIPNXVCG-QGZVFWFLSA-N	2	2	294.487	2.322	10	30		CEEELP
CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCn2cc[nH+]c2C1	ZINC000328628555	344756477	/nfs/dbraw/zinc/75/64/77/344756477.db2.gz	NVXCQLCRRWWXAZ-UONOGXRCSA-N	2	2	290.411	2.276	10	30		CEEELP
CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCn2cc[nH+]c2C1	ZINC000328628555	344756479	/nfs/dbraw/zinc/75/64/79/344756479.db2.gz	NVXCQLCRRWWXAZ-UONOGXRCSA-N	2	2	290.411	2.276	10	30		CEEELP
C[NH2+]Cc1ccccc1CNc1cc(C)[nH+]cc1C#N	ZINC000404561816	344881473	/nfs/dbraw/zinc/88/14/73/344881473.db2.gz	WGDVGOXBBXOUMX-UHFFFAOYSA-N	2	2	266.348	2.015	10	30		CEEELP
Cc1cc(N2CC[NH+](CC3CC3)CC2)c(C#N)c(C)[nH+]1	ZINC000133755250	366252032	/nfs/dbraw/zinc/25/20/32/366252032.db2.gz	AYADHTIXHGXZOU-UHFFFAOYSA-N	2	2	270.380	2.102	10	30		CEEELP
C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180677464	189269416	/nfs/dbraw/zinc/26/94/16/189269416.db2.gz	AJAYHIBSSXYSML-UONOGXRCSA-N	2	2	298.390	2.214	10	30		CEEELP
Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000301798488	201205173	/nfs/dbraw/zinc/20/51/73/201205173.db2.gz	UWBMDTXJVGLEFD-AWEZNQCLSA-N	2	2	272.396	2.348	10	30		CEEELP
Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)C2)c(C#N)c(C)[nH+]1	ZINC000301798488	201205177	/nfs/dbraw/zinc/20/51/77/201205177.db2.gz	UWBMDTXJVGLEFD-AWEZNQCLSA-N	2	2	272.396	2.348	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1	ZINC000037231481	173050529	/nfs/dbraw/zinc/05/05/29/173050529.db2.gz	TTXCPAAJPZUCGG-OAHLLOKOSA-N	2	2	256.393	2.477	10	30		CEEELP
C=CCOc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1	ZINC000040638914	174363311	/nfs/dbraw/zinc/36/33/11/174363311.db2.gz	OAQDQEPIPBHOMO-UHFFFAOYSA-N	2	2	271.364	2.317	10	30		CEEELP
C[C@H]([NH2+]CCc1[nH+]ccn1C)c1cccc(C#N)c1	ZINC000040639337	174363987	/nfs/dbraw/zinc/36/39/87/174363987.db2.gz	AKPPQFUTZPWRNF-LBPRGKRZSA-N	2	2	254.337	2.185	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](CCC)CC1	ZINC000045306444	175355530	/nfs/dbraw/zinc/35/55/30/175355530.db2.gz	ZXKHHALLIXBASZ-MRXNPFEDSA-N	2	2	280.460	2.076	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCCO1	ZINC000045314376	175356941	/nfs/dbraw/zinc/35/69/41/175356941.db2.gz	IXLOOVQQCWPYOH-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
C[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCCO1	ZINC000045314376	175356942	/nfs/dbraw/zinc/35/69/42/175356942.db2.gz	IXLOOVQQCWPYOH-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CCOC)C1CC1	ZINC000045316774	175358387	/nfs/dbraw/zinc/35/83/87/175358387.db2.gz	MUYPZISDZYARKF-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCOC)C1CC1	ZINC000045316774	175358389	/nfs/dbraw/zinc/35/83/89/175358389.db2.gz	MUYPZISDZYARKF-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCC#N)C1	ZINC000195278797	262248595	/nfs/dbraw/zinc/24/85/95/262248595.db2.gz	ZNJMVKDOYRCQBV-INIZCTEOSA-N	2	2	272.396	2.139	10	30		CEEELP
C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCC#N)C1	ZINC000195278797	262248596	/nfs/dbraw/zinc/24/85/96/262248596.db2.gz	ZNJMVKDOYRCQBV-INIZCTEOSA-N	2	2	272.396	2.139	10	30		CEEELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCC#N)C1	ZINC000195278797	262248597	/nfs/dbraw/zinc/24/85/97/262248597.db2.gz	ZNJMVKDOYRCQBV-INIZCTEOSA-N	2	2	272.396	2.139	10	30		CEEELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCC#N)C1	ZINC000195278797	262248598	/nfs/dbraw/zinc/24/85/98/262248598.db2.gz	ZNJMVKDOYRCQBV-INIZCTEOSA-N	2	2	272.396	2.139	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1	ZINC000068611454	520031809	/nfs/dbraw/zinc/03/18/09/520031809.db2.gz	OXPMFUUJJFWHAG-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
CCCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1	ZINC000068611454	520031816	/nfs/dbraw/zinc/03/18/16/520031816.db2.gz	OXPMFUUJJFWHAG-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
N#CNC(=[NH2+])CCCOc1cccc(C[NH+]2CCCC2)c1	ZINC000027985333	343395196	/nfs/dbraw/zinc/39/51/96/343395196.db2.gz	PPVQIRIFAHZSPH-UHFFFAOYSA-N	2	2	286.379	2.280	10	30		CEEELP
C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+](C)C	ZINC000086037363	179221096	/nfs/dbraw/zinc/22/10/96/179221096.db2.gz	QOGFCPSXUZLAKH-IUDNXUCKSA-N	2	2	257.381	2.150	10	30		CEEELP
C=CC[NH2+]CC[NH2+]Cc1cc(Br)cs1	ZINC000086140052	179237160	/nfs/dbraw/zinc/23/71/60/179237160.db2.gz	YFDWSFZZKSNYSK-UHFFFAOYSA-N	2	2	275.215	2.376	10	30		CEEELP
C=C(CC)C[C@@H]([NH3+])C1([NH+]2CCOCC2)CCCC1	ZINC000091643054	180214246	/nfs/dbraw/zinc/21/42/46/180214246.db2.gz	RSXNGHDRJTVUFT-CQSZACIVSA-N	2	2	252.402	2.315	10	30		CEEELP
C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180677446	189269513	/nfs/dbraw/zinc/26/95/13/189269513.db2.gz	AJAYHIBSSXYSML-KGLIPLIRSA-N	2	2	298.390	2.214	10	30		CEEELP
C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(C#N)cc1	ZINC000040638675	174363178	/nfs/dbraw/zinc/36/31/78/174363178.db2.gz	DDMRFLHHKISPEM-LBPRGKRZSA-N	2	2	254.337	2.185	10	30		CEEELP
C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(OCC#N)cc1	ZINC000040639120	174363626	/nfs/dbraw/zinc/36/36/26/174363626.db2.gz	RXZFQLJWYFKALK-ZDUSSCGKSA-N	2	2	284.363	2.216	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311919	175357129	/nfs/dbraw/zinc/35/71/29/175357129.db2.gz	XNKWINWQLBYKKO-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+]1CCOC(C)(C)C1	ZINC000045311919	175357130	/nfs/dbraw/zinc/35/71/30/175357130.db2.gz	XNKWINWQLBYKKO-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318487	175359082	/nfs/dbraw/zinc/35/90/82/175359082.db2.gz	VAIJTKUAOVQTIQ-QGZVFWFLSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+](C)CCOC	ZINC000045319029	175359440	/nfs/dbraw/zinc/35/94/40/175359440.db2.gz	HOPNVLASZWVOSS-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CCOC	ZINC000045319029	175359442	/nfs/dbraw/zinc/35/94/42/175359442.db2.gz	HOPNVLASZWVOSS-AWEZNQCLSA-N	2	2	255.406	2.017	10	30		CEEELP
C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[NH+](C)C1	ZINC000071189109	176064425	/nfs/dbraw/zinc/06/44/25/176064425.db2.gz	IVOJHFAWUUZKNH-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[NH+](C)C1	ZINC000071189109	176064428	/nfs/dbraw/zinc/06/44/28/176064428.db2.gz	IVOJHFAWUUZKNH-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@H+](C)C1	ZINC000071189109	176064429	/nfs/dbraw/zinc/06/44/29/176064429.db2.gz	IVOJHFAWUUZKNH-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
C[NH+](Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@@H+](C)C1	ZINC000071189109	176064431	/nfs/dbraw/zinc/06/44/31/176064431.db2.gz	IVOJHFAWUUZKNH-CYBMUJFWSA-N	2	2	261.344	2.081	10	30		CEEELP
CC(C)C[NH+]1CCN([C@H](C)C[C@](C)(C#N)[NH2+]C(C)C)CC1	ZINC000068615145	519727969	/nfs/dbraw/zinc/72/79/69/519727969.db2.gz	ATQFAWFTAOSBEJ-IAGOWNOFSA-N	2	2	294.487	2.319	10	30		CEEELP
CCC[NH+]1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1	ZINC000211666168	539519219	/nfs/dbraw/zinc/51/92/19/539519219.db2.gz	YDGNRDUXJUIHAK-UHFFFAOYSA-N	2	2	258.369	2.102	10	30		CEEELP
N#CC1(c2ccccc2)CC([NH2+][C@H]2C[NH+]3CCC2CC3)C1	ZINC000086036117	179221710	/nfs/dbraw/zinc/22/17/10/179221710.db2.gz	MJWSOPIETAAMNB-ADKAHSJRSA-N	2	2	281.403	2.294	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CC)CCOCC	ZINC000111121550	186354591	/nfs/dbraw/zinc/35/45/91/186354591.db2.gz	UIUZETBNPMZJRQ-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CC)CCOCC	ZINC000111121550	186354592	/nfs/dbraw/zinc/35/45/92/186354592.db2.gz	UIUZETBNPMZJRQ-OAHLLOKOSA-N	2	2	269.433	2.407	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000040601095	174351255	/nfs/dbraw/zinc/35/12/55/174351255.db2.gz	YOLSGZOIBOHPLQ-ZDUSSCGKSA-N	2	2	261.344	2.129	10	30		CEEELP
C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000040601095	174351256	/nfs/dbraw/zinc/35/12/56/174351256.db2.gz	YOLSGZOIBOHPLQ-ZDUSSCGKSA-N	2	2	261.344	2.129	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC	ZINC000045314219	175357002	/nfs/dbraw/zinc/35/70/02/175357002.db2.gz	JATIJMCLUHNAGL-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CC)[C@@H](C)COC	ZINC000045314219	175357003	/nfs/dbraw/zinc/35/70/03/175357003.db2.gz	JATIJMCLUHNAGL-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](C)CCc1ccncc1	ZINC000045312709	175357159	/nfs/dbraw/zinc/35/71/59/175357159.db2.gz	NPIYTTPSVQWKRX-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](C)CCc1ccncc1	ZINC000045312709	175357161	/nfs/dbraw/zinc/35/71/61/175357161.db2.gz	NPIYTTPSVQWKRX-INIZCTEOSA-N	2	2	274.412	2.228	10	30		CEEELP
COCC[N@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)C1CC1	ZINC000045316743	175358468	/nfs/dbraw/zinc/35/84/68/175358468.db2.gz	NHBSSPUABURRHL-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
COCC[N@@H+](CCC[C@](C)(C#N)[NH2+]C(C)C)C1CC1	ZINC000045316743	175358470	/nfs/dbraw/zinc/35/84/70/175358470.db2.gz	NHBSSPUABURRHL-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C)c1C#N	ZINC000127355366	187299366	/nfs/dbraw/zinc/29/93/66/187299366.db2.gz	SIONABKBJTWGED-CQSZACIVSA-N	2	2	272.396	2.491	10	30		CEEELP
CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C)[nH+]c(C)c1C#N	ZINC000127355366	187299368	/nfs/dbraw/zinc/29/93/68/187299368.db2.gz	SIONABKBJTWGED-CQSZACIVSA-N	2	2	272.396	2.491	10	30		CEEELP
CCOCC[N@H+](CC)CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000111121622	186355051	/nfs/dbraw/zinc/35/50/51/186355051.db2.gz	SFMXOFPJHPOAKI-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CCOCC[N@@H+](CC)CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000111121622	186355052	/nfs/dbraw/zinc/35/50/52/186355052.db2.gz	SFMXOFPJHPOAKI-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1	ZINC000111169020	186365227	/nfs/dbraw/zinc/36/52/27/186365227.db2.gz	ICDLAQOJABMONU-JKSUJKDBSA-N	2	2	281.444	2.407	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CCCOC1	ZINC000111169020	186365229	/nfs/dbraw/zinc/36/52/29/186365229.db2.gz	ICDLAQOJABMONU-JKSUJKDBSA-N	2	2	281.444	2.407	10	30		CEEELP
C=CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195258912	395462841	/nfs/dbraw/zinc/46/28/41/395462841.db2.gz	GHZQVAMWEVYTOC-CYBMUJFWSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195258912	395462842	/nfs/dbraw/zinc/46/28/42/395462842.db2.gz	GHZQVAMWEVYTOC-CYBMUJFWSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195258912	395462844	/nfs/dbraw/zinc/46/28/44/395462844.db2.gz	GHZQVAMWEVYTOC-CYBMUJFWSA-N	2	2	265.426	2.391	10	30		CEEELP
C=CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195258912	395462846	/nfs/dbraw/zinc/46/28/46/395462846.db2.gz	GHZQVAMWEVYTOC-CYBMUJFWSA-N	2	2	265.426	2.391	10	30		CEEELP
N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(F)c1	ZINC000040749971	174395255	/nfs/dbraw/zinc/39/52/55/174395255.db2.gz	MFQARLGLDWJYAI-AGUYFDCRSA-N	2	2	259.328	2.151	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(F)c1	ZINC000040749971	174395256	/nfs/dbraw/zinc/39/52/56/174395256.db2.gz	MFQARLGLDWJYAI-AGUYFDCRSA-N	2	2	259.328	2.151	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1	ZINC000045182853	175325408	/nfs/dbraw/zinc/32/54/08/175325408.db2.gz	GZPNHBBUBCCOJF-MRXNPFEDSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[N@H+](CCCC[C@@](C)(C#N)[NH2+]C)[C@@H](C)COC	ZINC000045314243	175357407	/nfs/dbraw/zinc/35/74/07/175357407.db2.gz	WHMKCZILANPBDT-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C)[C@@H](C)COC	ZINC000045314243	175357408	/nfs/dbraw/zinc/35/74/08/175357408.db2.gz	WHMKCZILANPBDT-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC(C)N[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC([NH+](C)C)CC1	ZINC000068611607	519735568	/nfs/dbraw/zinc/73/55/68/519735568.db2.gz	SROOTCAULUTQDS-GDBMZVCRSA-N	2	2	280.460	2.071	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[NH+](CC(C)C)CC1	ZINC000068615083	520102495	/nfs/dbraw/zinc/10/24/95/520102495.db2.gz	BJQKNWQXKGKTLR-IRXDYDNUSA-N	2	2	294.487	2.320	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615952	520030874	/nfs/dbraw/zinc/03/08/74/520030874.db2.gz	LIFRNBUQBZURHN-IXDOHACOSA-N	2	2	292.471	2.217	10	30		CEEELP
CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1C#N	ZINC000062803020	522646417	/nfs/dbraw/zinc/64/64/17/522646417.db2.gz	YVNOFSYDSFRBOM-CQSZACIVSA-N	2	2	254.337	2.083	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CCC[C@H]([NH+](C)C)C1	ZINC000091428856	180153040	/nfs/dbraw/zinc/15/30/40/180153040.db2.gz	SBUOBAUXFAFAOA-JYJNAYRXSA-N	2	2	280.460	2.073	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC000040598743	174349611	/nfs/dbraw/zinc/34/96/11/174349611.db2.gz	QJRRDUGRKZUZPG-CYBMUJFWSA-N	2	2	261.344	2.129	10	30		CEEELP
C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1	ZINC000040598743	174349613	/nfs/dbraw/zinc/34/96/13/174349613.db2.gz	QJRRDUGRKZUZPG-CYBMUJFWSA-N	2	2	261.344	2.129	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C	ZINC000045310443	175356215	/nfs/dbraw/zinc/35/62/15/175356215.db2.gz	KGXDAJQOXBFTIN-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C	ZINC000045310443	175356217	/nfs/dbraw/zinc/35/62/17/175356217.db2.gz	KGXDAJQOXBFTIN-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[C@H]1C[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCO1	ZINC000045310742	175356246	/nfs/dbraw/zinc/35/62/46/175356246.db2.gz	YJHXUJRNLDPWKH-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@H]1C[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)CCO1	ZINC000045310742	175356247	/nfs/dbraw/zinc/35/62/47/175356247.db2.gz	YJHXUJRNLDPWKH-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](C)C1CCOCC1	ZINC000045311842	175356466	/nfs/dbraw/zinc/35/64/66/175356466.db2.gz	PCNJHVKKUBXIFR-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](C)C1CCOCC1	ZINC000045311842	175356467	/nfs/dbraw/zinc/35/64/67/175356467.db2.gz	PCNJHVKKUBXIFR-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)[C@@H](C)COC	ZINC000045314230	175357088	/nfs/dbraw/zinc/35/70/88/175357088.db2.gz	XDACNCQKTPHODC-ZFWWWQNUSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)[C@@H](C)COC	ZINC000045314230	175357087	/nfs/dbraw/zinc/35/70/87/175357087.db2.gz	XDACNCQKTPHODC-ZFWWWQNUSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)CCCC[C@@](C)(C#N)[NH2+]C)CC1	ZINC000045317178	175358234	/nfs/dbraw/zinc/35/82/34/175358234.db2.gz	MOJKKHLLHDHKTA-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)CCCC[C@@](C)(C#N)[NH2+]C)CC1	ZINC000045317178	175358236	/nfs/dbraw/zinc/35/82/36/175358236.db2.gz	MOJKKHLLHDHKTA-INIZCTEOSA-N	3	2	280.460	2.074	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317441	175358477	/nfs/dbraw/zinc/35/84/77/175358477.db2.gz	MMIDRPIBDJNYRX-HOCLYGCPSA-N	2	2	281.444	2.405	10	30		CEEELP
C[NH2+][C@](C)(C#N)CCCC[N@@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317441	175358478	/nfs/dbraw/zinc/35/84/78/175358478.db2.gz	MMIDRPIBDJNYRX-HOCLYGCPSA-N	2	2	281.444	2.405	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318450	175359037	/nfs/dbraw/zinc/35/90/37/175359037.db2.gz	NVHKTEGYTVXCCK-QGZVFWFLSA-N	2	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070139	520032197	/nfs/dbraw/zinc/03/21/97/520032197.db2.gz	YRQNMVZQJXXIQV-DLBZAZTESA-N	2	2	294.487	2.465	10	30		CEEELP
C=C(Br)C[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748442	174393021	/nfs/dbraw/zinc/39/30/21/174393021.db2.gz	QNBVGGRTKSCICD-FOSCPWQOSA-N	2	2	273.218	2.500	10	30		CEEELP
C=C(Br)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748442	174393023	/nfs/dbraw/zinc/39/30/23/174393023.db2.gz	QNBVGGRTKSCICD-FOSCPWQOSA-N	2	2	273.218	2.500	10	30		CEEELP
C=C(C)CN(CC)C(=O)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748245	174393102	/nfs/dbraw/zinc/39/31/02/174393102.db2.gz	MDHAXUOBPWFANH-XYPWUTKMSA-N	2	2	293.455	2.016	10	30		CEEELP
C=C(C)CN(CC)C(=O)C[N@@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000040748245	174393103	/nfs/dbraw/zinc/39/31/03/174393103.db2.gz	MDHAXUOBPWFANH-XYPWUTKMSA-N	2	2	293.455	2.016	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CCCOC)CCOC	ZINC000045317062	175357900	/nfs/dbraw/zinc/35/79/00/175357900.db2.gz	UFEMDYTUWBFUMI-MRXNPFEDSA-N	2	2	299.459	2.033	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CCCOC)CCOC	ZINC000045317062	175357901	/nfs/dbraw/zinc/35/79/01/175357901.db2.gz	UFEMDYTUWBFUMI-MRXNPFEDSA-N	2	2	299.459	2.033	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1	ZINC000045318442	175359071	/nfs/dbraw/zinc/35/90/71/175359071.db2.gz	SYWDPLWHGMXPGK-MRXNPFEDSA-N	2	2	280.460	2.074	10	30		CEEELP
Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C#N)c(C)[nH+]1	ZINC000156580436	280567866	/nfs/dbraw/zinc/56/78/66/280567866.db2.gz	FBPCNRRQENBJHN-CQSZACIVSA-N	2	2	270.380	2.245	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1	ZINC000068615956	520103350	/nfs/dbraw/zinc/10/33/50/520103350.db2.gz	LIFRNBUQBZURHN-ULQDDVLXSA-N	2	2	292.471	2.217	10	30		CEEELP
C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(C#N)(c2ccccc2)C1	ZINC000086037132	179221240	/nfs/dbraw/zinc/22/12/40/179221240.db2.gz	OARYXPNUOSNIIP-ODIFPOPNSA-N	2	2	280.375	2.485	10	30		CEEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N	ZINC000247097542	371064831	/nfs/dbraw/zinc/06/48/31/371064831.db2.gz	QCODXMMKDMHAQH-HUUCEWRRSA-N	2	2	271.368	2.099	10	30		CEEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N	ZINC000247097542	371064837	/nfs/dbraw/zinc/06/48/37/371064837.db2.gz	QCODXMMKDMHAQH-HUUCEWRRSA-N	2	2	271.368	2.099	10	30		CEEELP
CC#CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254313	395463279	/nfs/dbraw/zinc/46/32/79/395463279.db2.gz	JOPOVCHLPHCPAE-CQSZACIVSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254313	395463281	/nfs/dbraw/zinc/46/32/81/395463281.db2.gz	JOPOVCHLPHCPAE-CQSZACIVSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195254313	395463283	/nfs/dbraw/zinc/46/32/83/395463283.db2.gz	JOPOVCHLPHCPAE-CQSZACIVSA-N	2	2	277.437	2.229	10	30		CEEELP
CC#CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195254313	395463284	/nfs/dbraw/zinc/46/32/84/395463284.db2.gz	JOPOVCHLPHCPAE-CQSZACIVSA-N	2	2	277.437	2.229	10	30		CEEELP
C=C(Br)C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1	ZINC000045135010	175312708	/nfs/dbraw/zinc/31/27/08/175312708.db2.gz	KPTMQZOLUBBBDG-LLVKDONJSA-N	2	2	261.207	2.215	10	30		CEEELP
C=C(Br)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1	ZINC000045135010	175312710	/nfs/dbraw/zinc/31/27/10/175312710.db2.gz	KPTMQZOLUBBBDG-LLVKDONJSA-N	2	2	261.207	2.215	10	30		CEEELP
CCN[C@@](C)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1	ZINC000045181576	175324604	/nfs/dbraw/zinc/32/46/04/175324604.db2.gz	DCTIFUDSOYXHEZ-QGZVFWFLSA-N	2	2	292.471	2.219	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[NH+]1CCC(OCC)CC1	ZINC000045313024	175357219	/nfs/dbraw/zinc/35/72/19/175357219.db2.gz	KLSCJQQKJRKWCT-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](CC)CC1	ZINC000045317150	175358118	/nfs/dbraw/zinc/35/81/18/175358118.db2.gz	CAHNDPBNHGMVPS-QGZVFWFLSA-N	3	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](CC)CC1	ZINC000045317150	175358120	/nfs/dbraw/zinc/35/81/20/175358120.db2.gz	CAHNDPBNHGMVPS-QGZVFWFLSA-N	3	2	294.487	2.465	10	30		CEEELP
CCC[NH2+][C@@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1	ZINC000069083305	520029523	/nfs/dbraw/zinc/02/95/23/520029523.db2.gz	QJAGHUIRBXYWOJ-IRXDYDNUSA-N	2	2	292.471	2.074	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCCN1CC[NH+]([C@@H](C)CC)CC1	ZINC000055070196	520225004	/nfs/dbraw/zinc/22/50/04/520225004.db2.gz	PHGZXBJOEQGIPC-IRXDYDNUSA-N	2	2	294.487	2.465	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609847	523352374	/nfs/dbraw/zinc/35/23/74/523352374.db2.gz	SHCOXBITNBIDJD-DYVFJYSZSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609847	523352377	/nfs/dbraw/zinc/35/23/77/523352377.db2.gz	SHCOXBITNBIDJD-DYVFJYSZSA-N	2	2	290.382	2.135	10	30		CEEELP
C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000125171274	187172741	/nfs/dbraw/zinc/17/27/41/187172741.db2.gz	GGSVAJIQBCMZSJ-HUUCEWRRSA-N	2	2	275.396	2.143	10	30		CEEELP
C=CCC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000125171274	187172742	/nfs/dbraw/zinc/17/27/42/187172742.db2.gz	GGSVAJIQBCMZSJ-HUUCEWRRSA-N	2	2	275.396	2.143	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1	ZINC000091428852	180152992	/nfs/dbraw/zinc/15/29/92/180152992.db2.gz	SBUOBAUXFAFAOA-PMPSAXMXSA-N	2	2	280.460	2.073	10	30		CEEELP
Cc1cc(NCC2CC[NH+](C)CC2)c(C#N)c(C)[nH+]1	ZINC000123108072	187071693	/nfs/dbraw/zinc/07/16/93/187071693.db2.gz	CGKHEQKIAREWBB-UHFFFAOYSA-N	2	2	258.369	2.324	10	30		CEEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N	ZINC000178285633	395165095	/nfs/dbraw/zinc/16/50/95/395165095.db2.gz	QCODXMMKDMHAQH-GJZGRUSLSA-N	2	2	271.368	2.099	10	30		CEEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C#N)CCC#N	ZINC000178285633	395165098	/nfs/dbraw/zinc/16/50/98/395165098.db2.gz	QCODXMMKDMHAQH-GJZGRUSLSA-N	2	2	271.368	2.099	10	30		CEEELP
N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1	ZINC000040750343	174394887	/nfs/dbraw/zinc/39/48/87/174394887.db2.gz	ORPUGRTXFYILPU-AGUYFDCRSA-N	2	2	259.328	2.151	10	30		CEEELP
N#Cc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1	ZINC000040750343	174394888	/nfs/dbraw/zinc/39/48/88/174394888.db2.gz	ORPUGRTXFYILPU-AGUYFDCRSA-N	2	2	259.328	2.151	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[NH+]1CCC(OC)CC1	ZINC000045310329	175356790	/nfs/dbraw/zinc/35/67/90/175356790.db2.gz	NXYQKKZGDIHADV-HNNXBMFYSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](C)[C@@H](C)COC	ZINC000045314599	175357178	/nfs/dbraw/zinc/35/71/78/175357178.db2.gz	WBESXGDPVHZEAA-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](C)[C@@H](C)COC	ZINC000045314599	175357180	/nfs/dbraw/zinc/35/71/80/175357180.db2.gz	WBESXGDPVHZEAA-KBPBESRZSA-N	2	2	255.406	2.015	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311928	175357289	/nfs/dbraw/zinc/35/72/89/175357289.db2.gz	IITXZSILZNBZDP-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOC(C)(C)C1	ZINC000045311928	175357290	/nfs/dbraw/zinc/35/72/90/175357290.db2.gz	IITXZSILZNBZDP-OAHLLOKOSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@@H]1COCC[N@@H+]1CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045312034	175357324	/nfs/dbraw/zinc/35/73/24/175357324.db2.gz	DKEHJLLTLKWFPI-CABCVRRESA-N	2	2	267.417	2.158	10	30		CEEELP
CC[C@@H]1COCC[N@H+]1CCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045312034	175357325	/nfs/dbraw/zinc/35/73/25/175357325.db2.gz	DKEHJLLTLKWFPI-CABCVRRESA-N	2	2	267.417	2.158	10	30		CEEELP
CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045314225	175357594	/nfs/dbraw/zinc/35/75/94/175357594.db2.gz	UUJYBFIKFWOLCD-GJZGRUSLSA-N	2	2	269.433	2.404	10	30		CEEELP
CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C(C)C)[C@@H](C)COC	ZINC000045314225	175357595	/nfs/dbraw/zinc/35/75/95/175357595.db2.gz	UUJYBFIKFWOLCD-GJZGRUSLSA-N	2	2	269.433	2.404	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@H+](CCCOC)CCOC	ZINC000045317018	175357961	/nfs/dbraw/zinc/35/79/61/175357961.db2.gz	OUDGPQSUGWWIJY-INIZCTEOSA-N	2	2	299.459	2.033	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCC[N@@H+](CCCOC)CCOC	ZINC000045317018	175357962	/nfs/dbraw/zinc/35/79/62/175357962.db2.gz	OUDGPQSUGWWIJY-INIZCTEOSA-N	2	2	299.459	2.033	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+](CC)CCOC	ZINC000045316916	175357984	/nfs/dbraw/zinc/35/79/84/175357984.db2.gz	LTZLTAOOXQUOMC-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+](CC)CCOC	ZINC000045316916	175357985	/nfs/dbraw/zinc/35/79/85/175357985.db2.gz	LTZLTAOOXQUOMC-CQSZACIVSA-N	2	2	255.406	2.017	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+](CCCOC)CCOC	ZINC000045317058	175358244	/nfs/dbraw/zinc/35/82/44/175358244.db2.gz	UFEMDYTUWBFUMI-INIZCTEOSA-N	2	2	299.459	2.033	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+](CCCOC)CCOC	ZINC000045317058	175358247	/nfs/dbraw/zinc/35/82/47/175358247.db2.gz	UFEMDYTUWBFUMI-INIZCTEOSA-N	2	2	299.459	2.033	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1	ZINC000045316604	175358382	/nfs/dbraw/zinc/35/83/82/175358382.db2.gz	XMMRBLWARWLVQH-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CCCO1	ZINC000045316604	175358383	/nfs/dbraw/zinc/35/83/83/175358383.db2.gz	XMMRBLWARWLVQH-GJZGRUSLSA-N	2	2	267.417	2.158	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317405	175358430	/nfs/dbraw/zinc/35/84/30/175358430.db2.gz	ZUQSVSZGRMPFCJ-GOEBONIOSA-N	2	2	281.444	2.405	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)C1CC1	ZINC000045317405	175358432	/nfs/dbraw/zinc/35/84/32/175358432.db2.gz	ZUQSVSZGRMPFCJ-GOEBONIOSA-N	2	2	281.444	2.405	10	30		CEEELP
CC[N@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1	ZINC000045315139	175358487	/nfs/dbraw/zinc/35/84/87/175358487.db2.gz	QJNUOXATXYUCKH-HOTGVXAUSA-N	2	2	279.428	2.302	10	30		CEEELP
CC[N@@H+](CCC[C@@](C)(C#N)[NH2+]C1CC1)C[C@@H]1CCCO1	ZINC000045315139	175358488	/nfs/dbraw/zinc/35/84/88/175358488.db2.gz	QJNUOXATXYUCKH-HOTGVXAUSA-N	2	2	279.428	2.302	10	30		CEEELP
CC[N@H+](CCCC[C@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1	ZINC000045315160	175358514	/nfs/dbraw/zinc/35/85/14/175358514.db2.gz	CVBLOKZMYFBPQG-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[N@@H+](CCCC[C@](C)(C#N)[NH2+]C)C[C@@H]1CCCO1	ZINC000045315160	175358516	/nfs/dbraw/zinc/35/85/16/175358516.db2.gz	CVBLOKZMYFBPQG-LSDHHAIUSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC(CC)[N@H+](CCC[C@](C)(C#N)[NH2+]C)CCOC	ZINC000045319527	175358899	/nfs/dbraw/zinc/35/88/99/175358899.db2.gz	TWJCVKGGXLOPES-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC(CC)[N@@H+](CCC[C@](C)(C#N)[NH2+]C)CCOC	ZINC000045319527	175358901	/nfs/dbraw/zinc/35/89/01/175358901.db2.gz	TWJCVKGGXLOPES-OAHLLOKOSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1	ZINC000055070142	520102001	/nfs/dbraw/zinc/10/20/01/520102001.db2.gz	YRQNMVZQJXXIQV-SJORKVTESA-N	2	2	294.487	2.465	10	30		CEEELP
C#CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1	ZINC000051016925	518267930	/nfs/dbraw/zinc/26/79/30/518267930.db2.gz	CAZZEANLZVFRLO-UHFFFAOYSA-N	2	2	264.319	2.152	10	30		CEEELP
CC(C)[NH2+][C@@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1	ZINC000068616209	519735486	/nfs/dbraw/zinc/73/54/86/519735486.db2.gz	GMFFVRIQBIIYPX-JKSUJKDBSA-N	2	2	280.460	2.073	10	30		CEEELP
CC[NH+]1CCC([N@H+](C)[C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068612909	521566427	/nfs/dbraw/zinc/56/64/27/521566427.db2.gz	OLZZLDSLIHNRLJ-YOEHRIQHSA-N	2	2	292.471	2.215	10	30		CEEELP
CC[NH+]1CCC([N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1	ZINC000068612909	521566432	/nfs/dbraw/zinc/56/64/32/521566432.db2.gz	OLZZLDSLIHNRLJ-YOEHRIQHSA-N	2	2	292.471	2.215	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609849	523342470	/nfs/dbraw/zinc/34/24/70/523342470.db2.gz	SHCOXBITNBIDJD-GUYCJALGSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609849	523342477	/nfs/dbraw/zinc/34/24/77/523342477.db2.gz	SHCOXBITNBIDJD-GUYCJALGSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609850	523517610	/nfs/dbraw/zinc/51/76/10/523517610.db2.gz	FDIGPPOLTGVVHK-CZUORRHYSA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1	ZINC000049609850	523517613	/nfs/dbraw/zinc/51/76/13/523517613.db2.gz	FDIGPPOLTGVVHK-CZUORRHYSA-N	2	2	290.382	2.135	10	30		CEEELP
Cc1cc(NC(=O)c2ccc(C#CC[NH3+])s2)cc[nH+]1	ZINC000092365927	180369025	/nfs/dbraw/zinc/36/90/25/180369025.db2.gz	GVQXEJULZGHSDK-UHFFFAOYSA-N	2	2	271.345	2.014	10	30		CEEELP
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1	ZINC000188398726	395314409	/nfs/dbraw/zinc/31/44/09/395314409.db2.gz	LVSLEDZVGCWQLP-GFCCVEGCSA-N	2	2	272.377	2.481	10	30		CEEELP
N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1	ZINC000188398726	395314413	/nfs/dbraw/zinc/31/44/13/395314413.db2.gz	LVSLEDZVGCWQLP-GFCCVEGCSA-N	2	2	272.377	2.481	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1	ZINC000045311519	175356175	/nfs/dbraw/zinc/35/61/75/175356175.db2.gz	KNTFWMJBNGIKQX-KRWDZBQOSA-N	2	2	294.487	2.463	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@@H+]1CCOC(C)(C)C1	ZINC000045311954	175357587	/nfs/dbraw/zinc/35/75/87/175357587.db2.gz	ODJXTHMWHYUXHL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)CCCC[N@H+]1CCOC(C)(C)C1	ZINC000045311954	175357588	/nfs/dbraw/zinc/35/75/88/175357588.db2.gz	ODJXTHMWHYUXHL-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[C@H](C)[N@H+](CCCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317937	175358983	/nfs/dbraw/zinc/35/89/83/175358983.db2.gz	VWZWFJHMZSVWOX-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[C@H](C)[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C)CCOC	ZINC000045317937	175358985	/nfs/dbraw/zinc/35/89/85/175358985.db2.gz	VWZWFJHMZSVWOX-GJZGRUSLSA-N	2	2	269.433	2.405	10	30		CEEELP
COCC[N@H+](C)CCCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045319037	175359330	/nfs/dbraw/zinc/35/93/30/175359330.db2.gz	TXRQPAMKHCRSEH-AWEZNQCLSA-N	2	2	255.406	2.015	10	30		CEEELP
COCC[N@@H+](C)CCCC[C@@](C)(C#N)[NH2+]C(C)C	ZINC000045319037	175359332	/nfs/dbraw/zinc/35/93/32/175359332.db2.gz	TXRQPAMKHCRSEH-AWEZNQCLSA-N	2	2	255.406	2.015	10	30		CEEELP
Cc1cc(N2CCC([NH2+]CC3CC3)CC2)c(C#N)c[nH+]1	ZINC000399122036	267336171	/nfs/dbraw/zinc/33/61/71/267336171.db2.gz	PNPKIMQOYONEDZ-UHFFFAOYSA-N	2	2	270.380	2.230	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1	ZINC000068613193	520128281	/nfs/dbraw/zinc/12/82/81/520128281.db2.gz	ARHCMDJGXNXRQV-GDBMZVCRSA-N	2	2	280.460	2.073	10	30		CEEELP
C#CC[NH+]1CCC([NH2+][C@H](C)Cc2ccsc2)CC1	ZINC000049156764	518270111	/nfs/dbraw/zinc/27/01/11/518270111.db2.gz	XSZIOGGTHRTNDR-CYBMUJFWSA-N	2	2	262.422	2.366	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609846	523518025	/nfs/dbraw/zinc/51/80/25/523518025.db2.gz	SHCOXBITNBIDJD-CXAGYDPISA-N	2	2	290.382	2.135	10	30		CEEELP
CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(F)cc1C#CC[NH3+]	ZINC000049609846	523518033	/nfs/dbraw/zinc/51/80/33/523518033.db2.gz	SHCOXBITNBIDJD-CXAGYDPISA-N	2	2	290.382	2.135	10	30		CEEELP
CC[N@H+](CCNc1cc(C)[nH+]c(C)c1C#N)C1CC1	ZINC000227593497	370373504	/nfs/dbraw/zinc/37/35/04/370373504.db2.gz	HKQJVVCNCNMSPU-UHFFFAOYSA-N	2	2	258.369	2.466	10	30		CEEELP
CC[N@@H+](CCNc1cc(C)[nH+]c(C)c1C#N)C1CC1	ZINC000227593497	370373507	/nfs/dbraw/zinc/37/35/07/370373507.db2.gz	HKQJVVCNCNMSPU-UHFFFAOYSA-N	2	2	258.369	2.466	10	30		CEEELP
C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000247648372	371131704	/nfs/dbraw/zinc/13/17/04/371131704.db2.gz	WHMJTNIACLEYLW-CABCVRRESA-N	2	2	277.412	2.410	10	30		CEEELP
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1	ZINC000247648372	371131710	/nfs/dbraw/zinc/13/17/10/371131710.db2.gz	WHMJTNIACLEYLW-CABCVRRESA-N	2	2	277.412	2.410	10	30		CEEELP
C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(C#N)cc1	ZINC000040638676	174363302	/nfs/dbraw/zinc/36/33/02/174363302.db2.gz	DDMRFLHHKISPEM-GFCCVEGCSA-N	2	2	254.337	2.185	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1	ZINC000045307881	175356315	/nfs/dbraw/zinc/35/63/15/175356315.db2.gz	KCWHHNUPDIKLEF-INIZCTEOSA-N	3	2	280.460	2.073	10	30		CEEELP
CC(C)[NH2+][C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1	ZINC000045307881	175356316	/nfs/dbraw/zinc/35/63/16/175356316.db2.gz	KCWHHNUPDIKLEF-INIZCTEOSA-N	3	2	280.460	2.073	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1CC	ZINC000045312062	175357031	/nfs/dbraw/zinc/35/70/31/175357031.db2.gz	RRDCBURBQJPPEV-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[NH2+][C@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1CC	ZINC000045312062	175357033	/nfs/dbraw/zinc/35/70/33/175357033.db2.gz	RRDCBURBQJPPEV-GJZGRUSLSA-N	2	2	267.417	2.159	10	30		CEEELP
CC[N@H+](CCCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316928	175357793	/nfs/dbraw/zinc/35/77/93/175357793.db2.gz	AULXCZLJTDSRIX-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CC[N@@H+](CCCC[C@@](C)(C#N)[NH2+]C(C)C)CCOC	ZINC000045316928	175357795	/nfs/dbraw/zinc/35/77/95/175357795.db2.gz	AULXCZLJTDSRIX-HNNXBMFYSA-N	2	2	269.433	2.405	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C	ZINC000045317532	175357828	/nfs/dbraw/zinc/35/78/28/175357828.db2.gz	WDHBPLLIMWEVDI-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
CCC[NH2+][C@@](C)(C#N)CCC[N@H+]1CCOCC1(C)C	ZINC000045317532	175357829	/nfs/dbraw/zinc/35/78/29/175357829.db2.gz	WDHBPLLIMWEVDI-OAHLLOKOSA-N	2	2	267.417	2.159	10	30		CEEELP
C[N@H+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000071264284	176097211	/nfs/dbraw/zinc/09/72/11/176097211.db2.gz	FZSQKMXRXYPDQE-XYPWUTKMSA-N	2	2	273.355	2.412	10	30		CEEELP
C[N@@H+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000071264284	176097212	/nfs/dbraw/zinc/09/72/12/176097212.db2.gz	FZSQKMXRXYPDQE-XYPWUTKMSA-N	2	2	273.355	2.412	10	30		CEEELP
CC[NH2+][C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CCCC2)CC1	ZINC000068614876	520127768	/nfs/dbraw/zinc/12/77/68/520127768.db2.gz	MWDNEQYUPAUWPX-NVXWUHKLSA-N	2	2	292.471	2.217	10	30		CEEELP