smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(CCCN2C(=O)c3ccc(OC)cc3C2C#N)CC1	ZINC000071678579	203102735	/nfs/dbraw/zinc/10/27/35/203102735.db2.gz	SJPSKFZMIWXGQO-SFHVURJKSA-N	1	1	342.443	1.743	10	30		EDEEMO
CCOCC[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134265	139137146	/nfs/dbraw/zinc/13/71/46/139137146.db2.gz	KNZNVQRFCUYNLP-SJLPKXTDSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCOCCN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134265	139137147	/nfs/dbraw/zinc/13/71/47/139137147.db2.gz	KNZNVQRFCUYNLP-SJLPKXTDSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCOCCN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134265	139137148	/nfs/dbraw/zinc/13/71/48/139137148.db2.gz	KNZNVQRFCUYNLP-SJLPKXTDSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000105929812	441318084	/nfs/dbraw/zinc/31/80/84/441318084.db2.gz	AMSAMQRQECYLLH-QGZVFWFLSA-N	1	1	330.436	1.286	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)c1	ZINC000117526314	441874689	/nfs/dbraw/zinc/87/46/89/441874689.db2.gz	QDCHJXOQFFSNAK-QGZVFWFLSA-N	1	1	343.427	1.176	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)c1	ZINC000117526314	441874693	/nfs/dbraw/zinc/87/46/93/441874693.db2.gz	QDCHJXOQFFSNAK-QGZVFWFLSA-N	1	1	343.427	1.176	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)c1	ZINC000117526319	441874771	/nfs/dbraw/zinc/87/47/71/441874771.db2.gz	QDCHJXOQFFSNAK-KRWDZBQOSA-N	1	1	343.427	1.176	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)c1	ZINC000117526319	441874781	/nfs/dbraw/zinc/87/47/81/441874781.db2.gz	QDCHJXOQFFSNAK-KRWDZBQOSA-N	1	1	343.427	1.176	10	30		EDEEMO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000117493329	441874841	/nfs/dbraw/zinc/87/48/41/441874841.db2.gz	IFQLNDUCYFXXAC-MRXNPFEDSA-N	1	1	348.422	1.950	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000180832403	442664151	/nfs/dbraw/zinc/66/41/51/442664151.db2.gz	CBSVOTUUIVLDMO-DLBZAZTESA-N	1	1	347.484	1.891	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000245780388	443249071	/nfs/dbraw/zinc/24/90/71/443249071.db2.gz	BYLGZLINZHWCKF-BXUZGUMPSA-N	1	1	325.409	1.704	10	30		EDEEMO
CC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174610691	529270571	/nfs/dbraw/zinc/27/05/71/529270571.db2.gz	PJMCAONHOVSJMO-WBVHZDCISA-N	1	1	345.443	1.435	10	30		EDEEMO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1	ZINC000794082800	580872203	/nfs/dbraw/zinc/87/22/03/580872203.db2.gz	BNYZQEUNXUXQAS-SFHVURJKSA-N	1	1	341.415	1.833	10	30		EDEEMO
COc1ccc(C#N)cc1C[N@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1	ZINC000794082800	580872204	/nfs/dbraw/zinc/87/22/04/580872204.db2.gz	BNYZQEUNXUXQAS-SFHVURJKSA-N	1	1	341.415	1.833	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1C	ZINC000128620208	237195304	/nfs/dbraw/zinc/19/53/04/237195304.db2.gz	BHFFPZICGBYVEK-LSDHHAIUSA-N	1	1	331.416	1.045	10	30		EDEEMO
N#CCC[N@@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1CC1	ZINC000176253519	237329329	/nfs/dbraw/zinc/32/93/29/237329329.db2.gz	ZDCTVZBBGOFTSC-AWEZNQCLSA-N	1	1	327.384	1.269	10	30		EDEEMO
N#CCC[N@H+](C[C@H](O)CN1C(=O)c2ccccc2C1=O)CC1CC1	ZINC000176253519	237329335	/nfs/dbraw/zinc/32/93/35/237329335.db2.gz	ZDCTVZBBGOFTSC-AWEZNQCLSA-N	1	1	327.384	1.269	10	30		EDEEMO
COCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105833309	204170193	/nfs/dbraw/zinc/17/01/93/204170193.db2.gz	FUAMHVMLKOCHDM-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105833309	204170197	/nfs/dbraw/zinc/17/01/97/204170197.db2.gz	FUAMHVMLKOCHDM-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105833309	204170198	/nfs/dbraw/zinc/17/01/98/204170198.db2.gz	FUAMHVMLKOCHDM-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000247104798	139135679	/nfs/dbraw/zinc/13/56/79/139135679.db2.gz	IKXVINFWIUELLT-HUUCEWRRSA-N	1	1	338.415	1.889	10	30		EDEEMO
C=CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC/C(=N/N)[C@@H]3O5	ZINC000027742000	441413867	/nfs/dbraw/zinc/41/38/67/441413867.db2.gz	XQQRNWNMEFUSMN-YSMUJFHHSA-N	1	1	341.411	1.047	10	30		EDEEMO
C=CC[NH+]1CCC(NC(=O)N2CCN(CCOC)[C@H](CC)C2)CC1	ZINC000172336221	442446353	/nfs/dbraw/zinc/44/63/53/442446353.db2.gz	WISQIZIVHJNZIQ-QGZVFWFLSA-N	1	1	338.496	1.389	10	30		EDEEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000181719008	442712566	/nfs/dbraw/zinc/71/25/66/442712566.db2.gz	VPEVAEQLVWSMDS-HNNXBMFYSA-N	1	1	334.395	1.295	10	30		EDEEMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000248657895	536885134	/nfs/dbraw/zinc/88/51/34/536885134.db2.gz	XPWZFPFKIREAHV-TZMCWYRMSA-N	1	1	337.445	1.574	10	30		EDEEMO
CN(C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000173928884	231073216	/nfs/dbraw/zinc/07/32/16/231073216.db2.gz	LBJGVVIHKIVGLS-INIZCTEOSA-N	1	1	334.464	1.078	10	30		EDEEMO
CN(C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000173928884	231073220	/nfs/dbraw/zinc/07/32/20/231073220.db2.gz	LBJGVVIHKIVGLS-INIZCTEOSA-N	1	1	334.464	1.078	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1	ZINC000067377489	201159133	/nfs/dbraw/zinc/15/91/33/201159133.db2.gz	LLBYJYMPDHOAKB-OAHLLOKOSA-N	1	1	331.416	1.790	10	30		EDEEMO
C[C@@H](CN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N)C[NH+]1CCOCC1	ZINC000071679207	203101870	/nfs/dbraw/zinc/10/18/70/203101870.db2.gz	KGNOUMPNQBUDFZ-KDOFPFPSSA-N	1	1	342.443	1.741	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106111448	441327175	/nfs/dbraw/zinc/32/71/75/441327175.db2.gz	HVBFMAAJUQFPDM-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106111448	441327179	/nfs/dbraw/zinc/32/71/79/441327179.db2.gz	HVBFMAAJUQFPDM-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106111448	441327180	/nfs/dbraw/zinc/32/71/80/441327180.db2.gz	HVBFMAAJUQFPDM-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000117493333	441873837	/nfs/dbraw/zinc/87/38/37/441873837.db2.gz	IFQLNDUCYFXXAC-INIZCTEOSA-N	1	1	348.422	1.950	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1	ZINC000195516316	443027327	/nfs/dbraw/zinc/02/73/27/443027327.db2.gz	MMKOVPQQDYCKIU-MRXNPFEDSA-N	1	1	329.448	1.886	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1	ZINC000195516316	443027329	/nfs/dbraw/zinc/02/73/29/443027329.db2.gz	MMKOVPQQDYCKIU-MRXNPFEDSA-N	1	1	329.448	1.886	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803555	527624889	/nfs/dbraw/zinc/62/48/89/527624889.db2.gz	JRRYNXCBOZIBBY-IAGOWNOFSA-N	1	1	343.475	1.966	10	30		EDEEMO
C=C(Br)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000184969091	698726421	/nfs/dbraw/zinc/72/64/21/698726421.db2.gz	VXHQGARJXCZABG-VXGBXAGGSA-N	1	1	334.258	1.382	10	30		EDEEMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)COC(C)(C)C	ZINC000246282097	139102371	/nfs/dbraw/zinc/10/23/71/139102371.db2.gz	BOQLAOTTYPHLQU-ZIAGYGMSSA-N	1	1	333.436	1.035	10	30		EDEEMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)COC(C)(C)C	ZINC000246282097	139102372	/nfs/dbraw/zinc/10/23/72/139102372.db2.gz	BOQLAOTTYPHLQU-ZIAGYGMSSA-N	1	1	333.436	1.035	10	30		EDEEMO
CN(C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000173928900	441863195	/nfs/dbraw/zinc/86/31/95/441863195.db2.gz	LBJGVVIHKIVGLS-MRXNPFEDSA-N	1	1	334.464	1.078	10	30		EDEEMO
CN(C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1)C1(C#N)CCCCC1	ZINC000173928900	441863200	/nfs/dbraw/zinc/86/32/00/441863200.db2.gz	LBJGVVIHKIVGLS-MRXNPFEDSA-N	1	1	334.464	1.078	10	30		EDEEMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1	ZINC000171702056	442372460	/nfs/dbraw/zinc/37/24/60/442372460.db2.gz	QFZHQZPJCZOLNL-JKSUJKDBSA-N	1	1	327.388	1.227	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000172261912	442432194	/nfs/dbraw/zinc/43/21/94/442432194.db2.gz	HLVXVBSHAUYWIU-GOEBONIOSA-N	1	1	328.416	1.967	10	30		EDEEMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000249357255	442967858	/nfs/dbraw/zinc/96/78/58/442967858.db2.gz	RJZDJJPEGVUESK-UAGQMJEPSA-N	1	1	331.416	1.058	10	30		EDEEMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1	ZINC000249357255	442967861	/nfs/dbraw/zinc/96/78/61/442967861.db2.gz	RJZDJJPEGVUESK-UAGQMJEPSA-N	1	1	331.416	1.058	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc(CC)cs2)C1	ZINC000195381570	443014444	/nfs/dbraw/zinc/01/44/44/443014444.db2.gz	BKBKEXDMGBTZGP-LBPRGKRZSA-N	1	1	336.461	1.897	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1	ZINC000195381570	443014450	/nfs/dbraw/zinc/01/44/50/443014450.db2.gz	BKBKEXDMGBTZGP-LBPRGKRZSA-N	1	1	336.461	1.897	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)no1	ZINC000195518343	443028606	/nfs/dbraw/zinc/02/86/06/443028606.db2.gz	CMWHBEVITRUERT-HNNXBMFYSA-N	1	1	344.419	1.288	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)no1	ZINC000195518343	443028610	/nfs/dbraw/zinc/02/86/10/443028610.db2.gz	CMWHBEVITRUERT-HNNXBMFYSA-N	1	1	344.419	1.288	10	30		EDEEMO
Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C(F)(F)F)nn1CCC#N	ZINC000299741496	444130494	/nfs/dbraw/zinc/13/04/94/444130494.db2.gz	FHXQUWJQWJGUCY-GHMZBOCLSA-N	1	1	329.326	1.784	10	30		EDEEMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](CC)C1	ZINC000067377507	201159432	/nfs/dbraw/zinc/15/94/32/201159432.db2.gz	PLYYKVKPLOHSCN-CQSZACIVSA-N	1	1	344.415	1.496	10	30		EDEEMO
C[C@H](CN1C(=O)c2ccc(N(C)C)cc2[C@@H]1C#N)C[NH+]1CCOCC1	ZINC000071679206	203102724	/nfs/dbraw/zinc/10/27/24/203102724.db2.gz	KGNOUMPNQBUDFZ-KSSFIOAISA-N	1	1	342.443	1.741	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000155428412	205013956	/nfs/dbraw/zinc/01/39/56/205013956.db2.gz	RRXGNHUCQUNYAQ-UHFFFAOYSA-N	1	1	338.415	1.988	10	30		EDEEMO
CC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000246896043	139126073	/nfs/dbraw/zinc/12/60/73/139126073.db2.gz	ABWQXALNXGDOEW-RDJZCZTQSA-N	1	1	345.443	1.895	10	30		EDEEMO
CC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000246896043	139126074	/nfs/dbraw/zinc/12/60/74/139126074.db2.gz	ABWQXALNXGDOEW-RDJZCZTQSA-N	1	1	345.443	1.895	10	30		EDEEMO
CCOCC[N@@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1CC	ZINC000150768468	276323990	/nfs/dbraw/zinc/32/39/90/276323990.db2.gz	RXYDDSFTZMGJGM-CQSZACIVSA-N	1	1	333.392	1.799	10	30		EDEEMO
CCOCC[N@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@H]1CC	ZINC000150768468	276323991	/nfs/dbraw/zinc/32/39/91/276323991.db2.gz	RXYDDSFTZMGJGM-CQSZACIVSA-N	1	1	333.392	1.799	10	30		EDEEMO
C#CCCCCC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000119813380	441957605	/nfs/dbraw/zinc/95/76/05/441957605.db2.gz	RQJHEHGPLUUHJJ-GOSISDBHSA-N	1	1	335.492	1.433	10	30		EDEEMO
C=C(C)COCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000151529505	442079069	/nfs/dbraw/zinc/07/90/69/442079069.db2.gz	KCFHETVAFBKTNJ-UHFFFAOYSA-N	1	1	335.452	1.230	10	30		EDEEMO
C=C(C)COCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000151529505	442079073	/nfs/dbraw/zinc/07/90/73/442079073.db2.gz	KCFHETVAFBKTNJ-UHFFFAOYSA-N	1	1	335.452	1.230	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C	ZINC000247870019	442871140	/nfs/dbraw/zinc/87/11/40/442871140.db2.gz	XKINDCJWEZFKDS-CVEARBPZSA-N	1	1	333.476	1.861	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C	ZINC000247870019	442871146	/nfs/dbraw/zinc/87/11/46/442871146.db2.gz	XKINDCJWEZFKDS-CVEARBPZSA-N	1	1	333.476	1.861	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1	ZINC000190080226	443054461	/nfs/dbraw/zinc/05/44/61/443054461.db2.gz	RWXXCOUTQHRFHD-GDBMZVCRSA-N	1	1	343.427	1.885	10	30		EDEEMO
C#CCOCCC(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1	ZINC000131852991	527064177	/nfs/dbraw/zinc/06/41/77/527064177.db2.gz	HXGXDJZMXCZFGM-UHFFFAOYSA-N	1	1	332.448	1.367	10	30		EDEEMO
C#CCOCCC(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1	ZINC000131852991	527064184	/nfs/dbraw/zinc/06/41/84/527064184.db2.gz	HXGXDJZMXCZFGM-UHFFFAOYSA-N	1	1	332.448	1.367	10	30		EDEEMO
CCN(CCC#N)C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1	ZINC000105807207	528356975	/nfs/dbraw/zinc/35/69/75/528356975.db2.gz	PQUKRERWWRFPNN-UHFFFAOYSA-N	1	1	330.436	1.139	10	30		EDEEMO
CC[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1C[C@H](C)O	ZINC000246302499	535825138	/nfs/dbraw/zinc/82/51/38/535825138.db2.gz	CBRMFKBMICNLCG-GOEBONIOSA-N	1	1	344.411	1.070	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1C	ZINC000117279605	595605478	/nfs/dbraw/zinc/60/54/78/595605478.db2.gz	ORVUSRMOBLKLOV-HNNXBMFYSA-N	1	1	331.416	1.772	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@@H]1C	ZINC000117279605	595605479	/nfs/dbraw/zinc/60/54/79/595605479.db2.gz	ORVUSRMOBLKLOV-HNNXBMFYSA-N	1	1	331.416	1.772	10	30		EDEEMO
C[NH+]1CCC(Oc2cccc3c2C(=O)N(CCCO)[C@H]3C#N)CC1	ZINC000071682791	203103865	/nfs/dbraw/zinc/10/38/65/203103865.db2.gz	LSMWJCIOVASRQW-HNNXBMFYSA-N	1	1	329.400	1.562	10	30		EDEEMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000105882655	204175524	/nfs/dbraw/zinc/17/55/24/204175524.db2.gz	IKXVINFWIUELLT-CABCVRRESA-N	1	1	338.415	1.889	10	30		EDEEMO
COCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000157949839	206165054	/nfs/dbraw/zinc/16/50/54/206165054.db2.gz	DYMZYYOONGDKQF-HNNXBMFYSA-N	1	1	333.432	1.598	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000247140386	139137454	/nfs/dbraw/zinc/13/74/54/139137454.db2.gz	KXLHMKQJDRGDRR-RLFYNMQTSA-N	1	1	344.459	1.662	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000249148177	139187721	/nfs/dbraw/zinc/18/77/21/139187721.db2.gz	GUMBQTNOPMNTGJ-FZMZJTMJSA-N	1	1	346.818	1.845	10	30		EDEEMO
CCOCC[N@H+]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C	ZINC000120876548	442145112	/nfs/dbraw/zinc/14/51/12/442145112.db2.gz	PEMLABKIADJCKF-HNNXBMFYSA-N	1	1	327.432	1.749	10	30		EDEEMO
COc1ccc(C[N@@H+]2CCCN(Cc3noc(C)n3)CC2)cc1C#N	ZINC000127924499	442233751	/nfs/dbraw/zinc/23/37/51/442233751.db2.gz	ZBPJKUSEQFOYGZ-UHFFFAOYSA-N	1	1	341.415	1.966	10	30		EDEEMO
COc1ccc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc1C#N	ZINC000127924499	442233754	/nfs/dbraw/zinc/23/37/54/442233754.db2.gz	ZBPJKUSEQFOYGZ-UHFFFAOYSA-N	1	1	341.415	1.966	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)COc1ccc(C#N)cc1OC	ZINC000177037653	442289424	/nfs/dbraw/zinc/28/94/24/442289424.db2.gz	DVVOTMIDBWOVBX-OAHLLOKOSA-N	1	1	331.416	1.888	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C	ZINC000247870026	442871317	/nfs/dbraw/zinc/87/13/17/442871317.db2.gz	XKINDCJWEZFKDS-JKSUJKDBSA-N	1	1	333.476	1.861	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1C	ZINC000247870026	442871323	/nfs/dbraw/zinc/87/13/23/442871323.db2.gz	XKINDCJWEZFKDS-JKSUJKDBSA-N	1	1	333.476	1.861	10	30		EDEEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000181850520	318491474	/nfs/dbraw/zinc/49/14/74/318491474.db2.gz	OSQRJXGABATZDE-INIZCTEOSA-N	1	1	346.431	1.035	10	30		EDEEMO
CC[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000247009897	536131973	/nfs/dbraw/zinc/13/19/73/536131973.db2.gz	CAJYQZMZCRFBHH-YOEHRIQHSA-N	1	1	330.432	1.274	10	30		EDEEMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CCCO1	ZINC000253373672	539825247	/nfs/dbraw/zinc/82/52/47/539825247.db2.gz	JUPFJRSWWAVBGL-DLBZAZTESA-N	1	1	339.382	1.957	10	30		EDEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CCCO1	ZINC000253373672	539825250	/nfs/dbraw/zinc/82/52/50/539825250.db2.gz	JUPFJRSWWAVBGL-DLBZAZTESA-N	1	1	339.382	1.957	10	30		EDEEMO
C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCOCC1	ZINC000246496729	249309933	/nfs/dbraw/zinc/30/99/33/249309933.db2.gz	PRZHAIMFRYQCCA-DLBZAZTESA-N	1	1	348.491	1.324	10	30		EDEEMO
C=CCN1CC[C@]2(CN(c3ccc(C)nn3)CC[N@@H+]2C)CCC1=O	ZINC000095379245	218311134	/nfs/dbraw/zinc/31/11/34/218311134.db2.gz	CWVHWFATZLARBH-SFHVURJKSA-N	1	1	329.448	1.474	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185794758	281195316	/nfs/dbraw/zinc/19/53/16/281195316.db2.gz	XNYMZOYNHALANQ-LSDHHAIUSA-N	1	1	349.456	1.814	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C[C@H](C#N)CCC#N)CC2)C1	ZINC000105903223	441313179	/nfs/dbraw/zinc/31/31/79/441313179.db2.gz	TWKBTHDIQNYVTG-ZWKOTPCHSA-N	1	1	333.480	1.157	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000177391374	442335453	/nfs/dbraw/zinc/33/54/53/442335453.db2.gz	JYURMNRYZZOBEM-MRXNPFEDSA-N	1	1	343.427	1.887	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1	ZINC000177391374	442335456	/nfs/dbraw/zinc/33/54/56/442335456.db2.gz	JYURMNRYZZOBEM-MRXNPFEDSA-N	1	1	343.427	1.887	10	30		EDEEMO
C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000177832940	442389590	/nfs/dbraw/zinc/38/95/90/442389590.db2.gz	RBOVRPWDJHPJDB-LRDDRELGSA-N	1	1	332.379	1.882	10	30		EDEEMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1	ZINC000245828061	443251423	/nfs/dbraw/zinc/25/14/23/443251423.db2.gz	QFZHQZPJCZOLNL-HZPDHXFCSA-N	1	1	327.388	1.227	10	30		EDEEMO
N#Cc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cc1	ZINC000616605086	450455635	/nfs/dbraw/zinc/45/56/35/450455635.db2.gz	RNJYXZBNTLZUPP-KRWDZBQOSA-N	1	1	327.409	1.893	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1OC	ZINC000174309731	526838896	/nfs/dbraw/zinc/83/88/96/526838896.db2.gz	DGHPMBVAHIVAMD-HUUCEWRRSA-N	1	1	348.443	1.787	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1OC	ZINC000174309731	526838900	/nfs/dbraw/zinc/83/89/00/526838900.db2.gz	DGHPMBVAHIVAMD-HUUCEWRRSA-N	1	1	348.443	1.787	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C	ZINC000120640304	596612774	/nfs/dbraw/zinc/61/27/74/596612774.db2.gz	PAQYRGYYCDRXJE-DLBZAZTESA-N	1	1	330.476	1.923	10	30		EDEEMO
C[C@@H](O)CN1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C	ZINC000120640304	596612776	/nfs/dbraw/zinc/61/27/76/596612776.db2.gz	PAQYRGYYCDRXJE-DLBZAZTESA-N	1	1	330.476	1.923	10	30		EDEEMO
C[C@@H](O)CN1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C	ZINC000120640304	596612778	/nfs/dbraw/zinc/61/27/78/596612778.db2.gz	PAQYRGYYCDRXJE-DLBZAZTESA-N	1	1	330.476	1.923	10	30		EDEEMO
C[C@H](O)CN1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)[C@@H]1C#N	ZINC000071682788	203104138	/nfs/dbraw/zinc/10/41/38/203104138.db2.gz	ZOEVCSZLBIYNME-WFASDCNBSA-N	1	1	329.400	1.561	10	30		EDEEMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000247104814	139135663	/nfs/dbraw/zinc/13/56/63/139135663.db2.gz	IKXVINFWIUELLT-LSDHHAIUSA-N	1	1	338.415	1.889	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000247106848	139135732	/nfs/dbraw/zinc/13/57/32/139135732.db2.gz	VPAQYLLEHRRRRH-MRXNPFEDSA-N	1	1	347.459	1.988	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000249193144	139188875	/nfs/dbraw/zinc/18/88/75/139188875.db2.gz	PPRMQGFJIGCVKU-CVEARBPZSA-N	1	1	340.427	1.890	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C	ZINC000117292642	221045726	/nfs/dbraw/zinc/04/57/26/221045726.db2.gz	JXDKGHOKHLHODN-OAHLLOKOSA-N	1	1	347.484	1.971	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@H]1C	ZINC000117292642	221045728	/nfs/dbraw/zinc/04/57/28/221045728.db2.gz	JXDKGHOKHLHODN-OAHLLOKOSA-N	1	1	347.484	1.971	10	30		EDEEMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000173743658	441832310	/nfs/dbraw/zinc/83/23/10/441832310.db2.gz	SQBBZYCZFQSGHJ-CQSZACIVSA-N	1	1	331.401	1.312	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177255026	442321093	/nfs/dbraw/zinc/32/10/93/442321093.db2.gz	IACFCOJAOJBQFS-QAPCUYQASA-N	1	1	342.443	1.539	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000249126478	442954345	/nfs/dbraw/zinc/95/43/45/442954345.db2.gz	CJQIBYFHEXYKTI-YPMHNXCESA-N	1	1	330.363	1.331	10	30		EDEEMO
N#CCSCCCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000173887808	534707199	/nfs/dbraw/zinc/70/71/99/534707199.db2.gz	QHGKLVBYXADXLY-KRWDZBQOSA-N	1	1	349.500	1.691	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000888077426	590933188	/nfs/dbraw/zinc/93/31/88/590933188.db2.gz	APDNEEYRDGERPH-QGZVFWFLSA-N	1	1	329.379	1.395	10	30		EDEEMO
CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)[N@H+](CCC(=O)N(C)CCC#N)C1	ZINC000888102956	591031516	/nfs/dbraw/zinc/03/15/16/591031516.db2.gz	WQKJKAKBGLXNKS-CABCVRRESA-N	1	1	333.436	1.551	10	30		EDEEMO
CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000888102956	591031520	/nfs/dbraw/zinc/03/15/20/591031520.db2.gz	WQKJKAKBGLXNKS-CABCVRRESA-N	1	1	333.436	1.551	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1ccc(C(=O)N(C)C)cn1	ZINC000072437995	216232637	/nfs/dbraw/zinc/23/26/37/216232637.db2.gz	FTEWAWLICQLEPQ-QGZVFWFLSA-N	1	1	348.491	1.990	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1ccc(C(=O)N(C)C)cn1	ZINC000072437995	216232638	/nfs/dbraw/zinc/23/26/38/216232638.db2.gz	FTEWAWLICQLEPQ-QGZVFWFLSA-N	1	1	348.491	1.990	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@H](O)COc1ccc(C#N)cc1	ZINC000245440490	139074853	/nfs/dbraw/zinc/07/48/53/139074853.db2.gz	UNBUIYIFXXCBTM-SQNIBIBYSA-N	1	1	329.444	1.857	10	30		EDEEMO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000117476996	221068841	/nfs/dbraw/zinc/06/88/41/221068841.db2.gz	QVGXIUKLDWTVOO-QGZVFWFLSA-N	1	1	330.432	1.810	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C3(C#N)CCCC3)CC2)C1	ZINC000105818139	441277773	/nfs/dbraw/zinc/27/77/73/441277773.db2.gz	TXKIJDIHDJKITM-QGZVFWFLSA-N	1	1	348.491	1.324	10	30		EDEEMO
CC[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000105825429	441281737	/nfs/dbraw/zinc/28/17/37/441281737.db2.gz	CAJYQZMZCRFBHH-RHSMWYFYSA-N	1	1	330.432	1.274	10	30		EDEEMO
CC[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CC[N@H+]1C[C@@H](C)O	ZINC000121629447	441746065	/nfs/dbraw/zinc/74/60/65/441746065.db2.gz	CBRMFKBMICNLCG-GDBMZVCRSA-N	1	1	344.411	1.070	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249598310	442993890	/nfs/dbraw/zinc/99/38/90/442993890.db2.gz	XKYFBEKYTDVTQT-UBHSHLNASA-N	1	1	337.445	1.156	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000174738066	529050154	/nfs/dbraw/zinc/05/01/54/529050154.db2.gz	RAVKXOUNVLLZSE-KRWDZBQOSA-N	1	1	329.448	1.184	10	30		EDEEMO
C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000105820469	237067164	/nfs/dbraw/zinc/06/71/64/237067164.db2.gz	LZFFCPUTGCUKND-AEFFLSMTSA-N	1	1	344.459	1.098	10	30		EDEEMO
CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000261615545	283982193	/nfs/dbraw/zinc/98/21/93/283982193.db2.gz	AVUPZTFRGZVAPD-LBPRGKRZSA-N	1	1	327.837	1.974	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000117477000	221067825	/nfs/dbraw/zinc/06/78/25/221067825.db2.gz	QVGXIUKLDWTVOO-KRWDZBQOSA-N	1	1	330.432	1.810	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C	ZINC000105835141	441287129	/nfs/dbraw/zinc/28/71/29/441287129.db2.gz	NCOSVPHIJAQELX-ZDUSSCGKSA-N	1	1	348.447	1.749	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@@H]1C	ZINC000105835141	441287134	/nfs/dbraw/zinc/28/71/34/441287134.db2.gz	NCOSVPHIJAQELX-ZDUSSCGKSA-N	1	1	348.447	1.749	10	30		EDEEMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000105882683	441305770	/nfs/dbraw/zinc/30/57/70/441305770.db2.gz	QJIURDALNAFLII-ZBFHGGJFSA-N	1	1	338.415	1.889	10	30		EDEEMO
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000173884447	441856362	/nfs/dbraw/zinc/85/63/62/441856362.db2.gz	YZBAIUCDGIDGEV-YOBDTOFLSA-N	1	1	325.412	1.751	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1	ZINC000150772282	441947634	/nfs/dbraw/zinc/94/76/34/441947634.db2.gz	ZFFWDSMZOIMZQU-NHYWBVRUSA-N	1	1	332.379	1.481	10	30		EDEEMO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000125758479	442045620	/nfs/dbraw/zinc/04/56/20/442045620.db2.gz	DTFMPSWZSBHDPU-YGRLFVJLSA-N	1	1	343.399	1.843	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000125758479	442045627	/nfs/dbraw/zinc/04/56/27/442045627.db2.gz	DTFMPSWZSBHDPU-YGRLFVJLSA-N	1	1	343.399	1.843	10	30		EDEEMO
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000177054803	442291331	/nfs/dbraw/zinc/29/13/31/442291331.db2.gz	LECYJJSFTPHXHO-MSOLQXFVSA-N	1	1	345.443	1.815	10	30		EDEEMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171615024	442363386	/nfs/dbraw/zinc/36/33/86/442363386.db2.gz	JXCUHTLCZFEWEW-ZDUSSCGKSA-N	1	1	330.417	1.877	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000136075182	442649293	/nfs/dbraw/zinc/64/92/93/442649293.db2.gz	SIZXUKJCZQRRLF-DLBZAZTESA-N	1	1	347.484	1.891	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)s1	ZINC000248486544	442896645	/nfs/dbraw/zinc/89/66/45/442896645.db2.gz	LHJDQHUXPZGMRO-STQMWFEESA-N	1	1	338.477	1.658	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)s1	ZINC000248486544	442896649	/nfs/dbraw/zinc/89/66/49/442896649.db2.gz	LHJDQHUXPZGMRO-STQMWFEESA-N	1	1	338.477	1.658	10	30		EDEEMO
C[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189273686	442909850	/nfs/dbraw/zinc/90/98/50/442909850.db2.gz	NPZJECIBEDJSGG-LLVKDONJSA-N	1	1	334.807	1.751	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249598309	442994033	/nfs/dbraw/zinc/99/40/33/442994033.db2.gz	XKYFBEKYTDVTQT-IACUBPJLSA-N	1	1	337.445	1.156	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000184821776	443081535	/nfs/dbraw/zinc/08/15/35/443081535.db2.gz	HVGGALPMOAPLOH-PBHICJAKSA-N	1	1	330.432	1.545	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245706898	443245793	/nfs/dbraw/zinc/24/57/93/443245793.db2.gz	XUKJIZCXAGCOAL-WBMJQRKESA-N	1	1	328.416	1.650	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000185935499	443287206	/nfs/dbraw/zinc/28/72/06/443287206.db2.gz	FWRZAHRMLJRYNN-LSDHHAIUSA-N	1	1	346.431	1.185	10	30		EDEEMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000105803192	526518551	/nfs/dbraw/zinc/51/85/51/526518551.db2.gz	WZQIKDNWKXXNRW-INIZCTEOSA-N	1	1	331.464	1.802	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000888077194	590932131	/nfs/dbraw/zinc/93/21/31/590932131.db2.gz	RNQILCIAIRTKKJ-GOSISDBHSA-N	1	1	341.415	1.135	10	30		EDEEMO
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccnc(C#N)c1)C2	ZINC000888094674	591024684	/nfs/dbraw/zinc/02/46/84/591024684.db2.gz	HTDZQRUXVAEILA-YFHUEUNASA-N	1	1	328.416	1.163	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000117283901	595614877	/nfs/dbraw/zinc/61/48/77/595614877.db2.gz	MZOLUXALHYFKFZ-INIZCTEOSA-N	1	1	345.443	1.701	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000117283901	595614879	/nfs/dbraw/zinc/61/48/79/595614879.db2.gz	MZOLUXALHYFKFZ-INIZCTEOSA-N	1	1	345.443	1.701	10	30		EDEEMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173943577	231076496	/nfs/dbraw/zinc/07/64/96/231076496.db2.gz	VUEIPUUTIMWXLV-AWEZNQCLSA-N	1	1	334.445	1.355	10	30		EDEEMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Nc2cccnn2)CC1	ZINC000105805902	237068065	/nfs/dbraw/zinc/06/80/65/237068065.db2.gz	YGYVMQDSTIDIFZ-UHFFFAOYSA-N	1	1	341.419	1.009	10	30		EDEEMO
C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000105820468	237069657	/nfs/dbraw/zinc/06/96/57/237069657.db2.gz	LZFFCPUTGCUKND-WMZOPIPTSA-N	1	1	344.459	1.098	10	30		EDEEMO
Cn1cc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000247025089	139132014	/nfs/dbraw/zinc/13/20/14/139132014.db2.gz	NDWQNVXWDQULRM-DOTOQJQBSA-N	1	1	326.400	1.521	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000247558047	249317705	/nfs/dbraw/zinc/31/77/05/249317705.db2.gz	QMSMWICGVGFECH-BHYGNILZSA-N	1	1	345.443	1.975	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000247686429	249318183	/nfs/dbraw/zinc/31/81/83/249318183.db2.gz	VALWQFUHNZTQHI-JKSUJKDBSA-N	1	1	331.416	1.586	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000249162494	139188120	/nfs/dbraw/zinc/18/81/20/139188120.db2.gz	JNLMQTRWGCQMRX-IUODEOHRSA-N	1	1	326.400	1.500	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000246228198	287231370	/nfs/dbraw/zinc/23/13/70/287231370.db2.gz	WOGDQRGUOXUVGI-CABCVRRESA-N	1	1	337.420	1.945	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000173726442	281195405	/nfs/dbraw/zinc/19/54/05/281195405.db2.gz	RKYBNGGWUGYDIP-UONOGXRCSA-N	1	1	337.420	1.945	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000121863138	441798086	/nfs/dbraw/zinc/79/80/86/441798086.db2.gz	QXQYWSMMJPTYLX-PBHICJAKSA-N	1	1	330.432	1.965	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173943713	441867237	/nfs/dbraw/zinc/86/72/37/441867237.db2.gz	HQOYSNRDMJBOEX-INIZCTEOSA-N	1	1	331.416	1.352	10	30		EDEEMO
COCC[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C	ZINC000173678208	441822827	/nfs/dbraw/zinc/82/28/27/441822827.db2.gz	DCTODKXAKJTXNZ-AWEZNQCLSA-N	1	1	341.415	1.761	10	30		EDEEMO
COCC[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C	ZINC000173678208	441822829	/nfs/dbraw/zinc/82/28/29/441822829.db2.gz	DCTODKXAKJTXNZ-AWEZNQCLSA-N	1	1	341.415	1.761	10	30		EDEEMO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)CC1	ZINC000175511193	442078237	/nfs/dbraw/zinc/07/82/37/442078237.db2.gz	CYKZFKLTBHKSDG-HNNXBMFYSA-N	1	1	348.451	1.237	10	30		EDEEMO
C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000177902614	442394519	/nfs/dbraw/zinc/39/45/19/442394519.db2.gz	DRRICAZDYYNKNE-WBMJQRKESA-N	1	1	332.379	1.882	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1	ZINC000188071742	442707881	/nfs/dbraw/zinc/70/78/81/442707881.db2.gz	LAFKUAHOFNCNQH-HNNXBMFYSA-N	1	1	331.416	1.619	10	30		EDEEMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)sc2c1CCCC2	ZINC000185157045	443150003	/nfs/dbraw/zinc/15/00/03/443150003.db2.gz	RFXVALRCZXRBKM-VXGBXAGGSA-N	1	1	349.456	1.255	10	30		EDEEMO
C#CC[NH2+]CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br	ZINC000169229725	527043898	/nfs/dbraw/zinc/04/38/98/527043898.db2.gz	DEBOFLPQZUUQIT-UHFFFAOYSA-N	1	1	326.150	1.827	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247576314	535603685	/nfs/dbraw/zinc/60/36/85/535603685.db2.gz	HVBFMAAJUQFPDM-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247576314	535603688	/nfs/dbraw/zinc/60/36/88/535603688.db2.gz	HVBFMAAJUQFPDM-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247576314	535603690	/nfs/dbraw/zinc/60/36/90/535603690.db2.gz	HVBFMAAJUQFPDM-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CC	ZINC000247439832	535604147	/nfs/dbraw/zinc/60/41/47/535604147.db2.gz	ZSKTZYKJGPXUFE-SJLPKXTDSA-N	1	1	338.496	1.474	10	30		EDEEMO
CC(=O)N[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131060661	597662027	/nfs/dbraw/zinc/66/20/27/597662027.db2.gz	QURAAVOXFJWGHT-QGZVFWFLSA-N	1	1	338.415	1.683	10	30		EDEEMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000247218537	139140867	/nfs/dbraw/zinc/14/08/67/139140867.db2.gz	QJIURDALNAFLII-GDBMZVCRSA-N	1	1	338.415	1.889	10	30		EDEEMO
C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173804635	279790246	/nfs/dbraw/zinc/79/02/46/279790246.db2.gz	IWZSBCNBNSYHIF-YJBOKZPZSA-N	1	1	327.428	1.670	10	30		EDEEMO
CC[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000105825431	441281356	/nfs/dbraw/zinc/28/13/56/441281356.db2.gz	CAJYQZMZCRFBHH-PBHICJAKSA-N	1	1	330.432	1.274	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000105929767	441317306	/nfs/dbraw/zinc/31/73/06/441317306.db2.gz	VLWNSWDIXUAMAK-QGZVFWFLSA-N	1	1	332.452	1.532	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@@H](C)C1	ZINC000150779685	441949248	/nfs/dbraw/zinc/94/92/48/441949248.db2.gz	SFDBSGSUQRVVRZ-NHYWBVRUSA-N	1	1	348.834	1.995	10	30		EDEEMO
CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000246824835	442815337	/nfs/dbraw/zinc/81/53/37/442815337.db2.gz	LMKNUAKHYUTPBJ-MAUKXSAKSA-N	1	1	329.444	1.794	10	30		EDEEMO
C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)CC1	ZINC000248510221	442898442	/nfs/dbraw/zinc/89/84/42/442898442.db2.gz	ZTCSZXOMCXQZDP-RDJZCZTQSA-N	1	1	338.496	1.123	10	30		EDEEMO
CCCCCCCCCCCC[N@H+]1C[C@@H](O)[C@H](O)[C@H](O)[C@H]1CO	ZINC000616583544	450453905	/nfs/dbraw/zinc/45/39/05/450453905.db2.gz	TYXAKMAAZJJHCB-TVFCKZIOSA-N	1	1	331.497	1.667	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@H](CC)C1	ZINC000105826822	526542122	/nfs/dbraw/zinc/54/21/22/526542122.db2.gz	SRLPNNCMLAUHEQ-IXDOHACOSA-N	1	1	325.497	1.577	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000246328814	139104247	/nfs/dbraw/zinc/10/42/47/139104247.db2.gz	SIZXUKJCZQRRLF-SJORKVTESA-N	1	1	347.484	1.891	10	30		EDEEMO
N#Cc1cc(F)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(F)c1	ZINC000246440210	139108618	/nfs/dbraw/zinc/10/86/18/139108618.db2.gz	DINPHOFGUIHUSG-NSHDSACASA-N	1	1	327.356	1.305	10	30		EDEEMO
N#Cc1ccccc1OCC[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000105817361	441277717	/nfs/dbraw/zinc/27/77/17/441277717.db2.gz	PEQGXORZHGLNOL-UHFFFAOYSA-N	1	1	349.398	1.197	10	30		EDEEMO
C#CCSCCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000121451600	441708131	/nfs/dbraw/zinc/70/81/31/441708131.db2.gz	MFWZAINMUFSXRX-QGZVFWFLSA-N	1	1	347.484	1.414	10	30		EDEEMO
C[C@H](C#N)C(=O)N1CC[C@@H](C)[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C1	ZINC000145295016	441887709	/nfs/dbraw/zinc/88/77/09/441887709.db2.gz	HTHSDNKHQYZZDG-BZPMIXESSA-N	1	1	326.404	1.791	10	30		EDEEMO
N#Cc1cc(F)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(F)c1	ZINC000177146372	442305622	/nfs/dbraw/zinc/30/56/22/442305622.db2.gz	DINPHOFGUIHUSG-LLVKDONJSA-N	1	1	327.356	1.305	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000248638572	442911380	/nfs/dbraw/zinc/91/13/80/442911380.db2.gz	QWEDJOHFCKISKD-OLZOCXBDSA-N	1	1	334.395	1.294	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249535919	442983635	/nfs/dbraw/zinc/98/36/35/442983635.db2.gz	CKVNBKHWKASRHT-UXLLHSPISA-N	1	1	335.473	1.810	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249535919	442983641	/nfs/dbraw/zinc/98/36/41/442983641.db2.gz	CKVNBKHWKASRHT-UXLLHSPISA-N	1	1	335.473	1.810	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000184820645	443081421	/nfs/dbraw/zinc/08/14/21/443081421.db2.gz	OCGVGRLQKLOEDX-PBHICJAKSA-N	1	1	330.432	1.545	10	30		EDEEMO
CC(C)n1nnnc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000195047221	139005437	/nfs/dbraw/zinc/00/54/37/139005437.db2.gz	OEECBAQBUVUBPQ-UHFFFAOYSA-N	1	1	339.447	1.834	10	30		EDEEMO
CC[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@@H+]1CCOC	ZINC000117304731	221050413	/nfs/dbraw/zinc/05/04/13/221050413.db2.gz	ZWPNTYDBDFXYFK-HNNXBMFYSA-N	1	1	331.416	1.772	10	30		EDEEMO
CC[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@H+]1CCOC	ZINC000117304731	221050414	/nfs/dbraw/zinc/05/04/14/221050414.db2.gz	ZWPNTYDBDFXYFK-HNNXBMFYSA-N	1	1	331.416	1.772	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105834772	441287985	/nfs/dbraw/zinc/28/79/85/441287985.db2.gz	PVZUAXIEGLYHPA-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105834772	441287990	/nfs/dbraw/zinc/28/79/90/441287990.db2.gz	PVZUAXIEGLYHPA-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000105882654	441305933	/nfs/dbraw/zinc/30/59/33/441305933.db2.gz	IKXVINFWIUELLT-GJZGRUSLSA-N	1	1	338.415	1.889	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3cc(C#N)cs3)CC2)C1	ZINC000121067620	442172963	/nfs/dbraw/zinc/17/29/63/442172963.db2.gz	CFLYOQYBVCMLII-KRWDZBQOSA-N	1	1	348.516	1.847	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000249126475	442954598	/nfs/dbraw/zinc/95/45/98/442954598.db2.gz	CJQIBYFHEXYKTI-AAEUAGOBSA-N	1	1	330.363	1.331	10	30		EDEEMO
C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2nccnc2C#N)CC1	ZINC000328620813	444397771	/nfs/dbraw/zinc/39/77/71/444397771.db2.gz	ACYPWEZQGAVJRL-ZDUSSCGKSA-N	1	1	338.419	1.211	10	30		EDEEMO
Cc1ncc(CN2CC[NH+](CCC(=O)N(C)CCC#N)CC2)s1	ZINC000181561583	534737157	/nfs/dbraw/zinc/73/71/57/534737157.db2.gz	ICTVDADLVBOKHL-UHFFFAOYSA-N	1	1	335.477	1.331	10	30		EDEEMO
COc1cc(C#N)ccc1OCCN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246843858	536884215	/nfs/dbraw/zinc/88/42/15/536884215.db2.gz	CPVUUYMVYKKVNR-CABCVRRESA-N	1	1	333.432	1.333	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000174356175	237280445	/nfs/dbraw/zinc/28/04/45/237280445.db2.gz	PJDUFXRCBWFRQN-HUUCEWRRSA-N	1	1	331.416	1.045	10	30		EDEEMO
C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1N1CCOCC1	ZINC000246553007	139112591	/nfs/dbraw/zinc/11/25/91/139112591.db2.gz	UEMBBTQQSNUXEJ-DZGCQCFKSA-N	1	1	348.472	1.601	10	30		EDEEMO
CCOCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105835179	441287456	/nfs/dbraw/zinc/28/74/56/441287456.db2.gz	NETXBKZHHBACBG-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105835179	441287460	/nfs/dbraw/zinc/28/74/60/441287460.db2.gz	NETXBKZHHBACBG-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105835179	441287464	/nfs/dbraw/zinc/28/74/64/441287464.db2.gz	NETXBKZHHBACBG-INIZCTEOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105885457	441306786	/nfs/dbraw/zinc/30/67/86/441306786.db2.gz	CXAYUNFGTIQAPD-YOEHRIQHSA-N	1	1	346.479	1.615	10	30		EDEEMO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1[NH+]1CCOCC1	ZINC000175764938	442118693	/nfs/dbraw/zinc/11/86/93/442118693.db2.gz	IGPLIMDFJAXPIP-SUMWQHHRSA-N	1	1	346.406	1.559	10	30		EDEEMO
CC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@H+]1C[C@@H](C)O	ZINC000157945174	442630385	/nfs/dbraw/zinc/63/03/85/442630385.db2.gz	UFQHQNNSUAHSAO-WBVHZDCISA-N	1	1	347.459	1.723	10	30		EDEEMO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000248614459	442907169	/nfs/dbraw/zinc/90/71/69/442907169.db2.gz	LQSIMESEAWNXIW-CVEARBPZSA-N	1	1	347.459	1.848	10	30		EDEEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccn(CCC#N)n1	ZINC000177047515	534778259	/nfs/dbraw/zinc/77/82/59/534778259.db2.gz	WRAYHHRTOCNYDX-AWEZNQCLSA-N	1	1	327.392	1.998	10	30		EDEEMO
CC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168572099	527815582	/nfs/dbraw/zinc/81/55/82/527815582.db2.gz	WXPVZAHRAPQSTD-LLVKDONJSA-N	1	1	327.837	1.832	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000247404216	535608908	/nfs/dbraw/zinc/60/89/08/535608908.db2.gz	YVBNCWSQUQQLAI-JKSUJKDBSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000247404216	535608915	/nfs/dbraw/zinc/60/89/15/535608915.db2.gz	YVBNCWSQUQQLAI-JKSUJKDBSA-N	1	1	344.459	1.928	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1ccc(C(=O)N(C)C)cn1	ZINC000072437998	216232956	/nfs/dbraw/zinc/23/29/56/216232956.db2.gz	FTEWAWLICQLEPQ-KRWDZBQOSA-N	1	1	348.491	1.990	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1ccc(C(=O)N(C)C)cn1	ZINC000072437998	216232958	/nfs/dbraw/zinc/23/29/58/216232958.db2.gz	FTEWAWLICQLEPQ-KRWDZBQOSA-N	1	1	348.491	1.990	10	30		EDEEMO
CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000247226746	266381339	/nfs/dbraw/zinc/38/13/39/266381339.db2.gz	QVPUQWRSSVWHMX-CRAIPNDOSA-N	1	1	344.459	1.928	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000106114566	441326525	/nfs/dbraw/zinc/32/65/25/441326525.db2.gz	FVIKXHVHNSQJIY-QGZVFWFLSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000106114566	441326527	/nfs/dbraw/zinc/32/65/27/441326527.db2.gz	FVIKXHVHNSQJIY-QGZVFWFLSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000106114566	441326530	/nfs/dbraw/zinc/32/65/30/441326530.db2.gz	FVIKXHVHNSQJIY-QGZVFWFLSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000121779328	441780310	/nfs/dbraw/zinc/78/03/10/441780310.db2.gz	YQJIKNUQPZVOEF-JKSUJKDBSA-N	1	1	326.396	1.852	10	30		EDEEMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000176008849	442160043	/nfs/dbraw/zinc/16/00/43/442160043.db2.gz	ZGUJQQFLEUZBLU-CQSZACIVSA-N	1	1	330.363	1.333	10	30		EDEEMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000176008849	442160045	/nfs/dbraw/zinc/16/00/45/442160045.db2.gz	ZGUJQQFLEUZBLU-CQSZACIVSA-N	1	1	330.363	1.333	10	30		EDEEMO
CCOCC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1CC	ZINC000165339078	442208213	/nfs/dbraw/zinc/20/82/13/442208213.db2.gz	WOXXHKLWXVHVDY-AWEZNQCLSA-N	1	1	329.466	1.053	10	30		EDEEMO
CCOCC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@@H]1CC	ZINC000165339078	442208218	/nfs/dbraw/zinc/20/82/18/442208218.db2.gz	WOXXHKLWXVHVDY-AWEZNQCLSA-N	1	1	329.466	1.053	10	30		EDEEMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1	ZINC000152565493	442226478	/nfs/dbraw/zinc/22/64/78/442226478.db2.gz	YKNCVDCYIJWFJY-LPHOPBHVSA-N	1	1	339.395	1.846	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1	ZINC000195516280	443026868	/nfs/dbraw/zinc/02/68/68/443026868.db2.gz	FPCWMZGRWMOFEM-LSDHHAIUSA-N	1	1	345.447	1.524	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)n2)C1	ZINC000195516280	443026869	/nfs/dbraw/zinc/02/68/69/443026869.db2.gz	FPCWMZGRWMOFEM-LSDHHAIUSA-N	1	1	345.447	1.524	10	30		EDEEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1	ZINC000173741464	534780919	/nfs/dbraw/zinc/78/09/19/534780919.db2.gz	VJFNMHAYHXNPBP-HNNXBMFYSA-N	1	1	330.413	1.917	10	30		EDEEMO
C#CCN(CCC)S(=O)(=O)c1cc(C[NH3+])oc1Br	ZINC000165095369	526901794	/nfs/dbraw/zinc/90/17/94/526901794.db2.gz	FGEAMEBMCCVVRN-UHFFFAOYSA-N	1	1	335.223	1.535	10	30		EDEEMO
Cc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc(C#N)cc3F)C2)n1	ZINC000888076172	590929931	/nfs/dbraw/zinc/92/99/31/590929931.db2.gz	DHVSXVFOMLMDJF-KRWDZBQOSA-N	1	1	330.363	1.958	10	30		EDEEMO
Cc1noc(C[C@@]2(O)CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1	ZINC000888076172	590929934	/nfs/dbraw/zinc/92/99/34/590929934.db2.gz	DHVSXVFOMLMDJF-KRWDZBQOSA-N	1	1	330.363	1.958	10	30		EDEEMO
C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)C[C@H]1N1CCOCC1	ZINC000245789536	139086180	/nfs/dbraw/zinc/08/61/80/139086180.db2.gz	VWYCBVVGFXDRSA-RHSMWYFYSA-N	1	1	325.416	1.358	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000246956105	139128262	/nfs/dbraw/zinc/12/82/62/139128262.db2.gz	BMPMWHVCJWAKBR-DOTOQJQBSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246956105	139128263	/nfs/dbraw/zinc/12/82/63/139128263.db2.gz	BMPMWHVCJWAKBR-DOTOQJQBSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246956105	139128264	/nfs/dbraw/zinc/12/82/64/139128264.db2.gz	BMPMWHVCJWAKBR-DOTOQJQBSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000249235529	266384489	/nfs/dbraw/zinc/38/44/89/266384489.db2.gz	VZPQARGMXNRGAC-CABCVRRESA-N	1	1	340.427	1.890	10	30		EDEEMO
C=CCNC(=O)c1ccc(N2CC[N@H+](CCOCC)[C@@H](CC)C2)nc1	ZINC000116871225	441857450	/nfs/dbraw/zinc/85/74/50/441857450.db2.gz	YTGQSDGVWLPSSE-KRWDZBQOSA-N	1	1	346.475	1.935	10	30		EDEEMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1	ZINC000171704363	442372420	/nfs/dbraw/zinc/37/24/20/442372420.db2.gz	OAJGRTFPJMTNDL-QGZVFWFLSA-N	1	1	338.415	1.862	10	30		EDEEMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)c1ccccc1	ZINC000171704363	442372423	/nfs/dbraw/zinc/37/24/23/442372423.db2.gz	OAJGRTFPJMTNDL-QGZVFWFLSA-N	1	1	338.415	1.862	10	30		EDEEMO
CCn1cc(O[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@H]2O)cn1	ZINC000599502048	450026632	/nfs/dbraw/zinc/02/66/32/450026632.db2.gz	QPXYFUQGZLOGLG-QZTJIDSGSA-N	1	1	342.399	1.278	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803551	527631713	/nfs/dbraw/zinc/63/17/13/527631713.db2.gz	JRRYNXCBOZIBBY-DLBZAZTESA-N	1	1	343.475	1.966	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C3(C#N)CCCC3)CC2)C1	ZINC000105818142	529050953	/nfs/dbraw/zinc/05/09/53/529050953.db2.gz	TXKIJDIHDJKITM-KRWDZBQOSA-N	1	1	348.491	1.324	10	30		EDEEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000122092775	282215614	/nfs/dbraw/zinc/21/56/14/282215614.db2.gz	JNCYHQMLVFXFGX-MRXNPFEDSA-N	1	1	337.379	1.963	10	30		EDEEMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+]3CCC[C@H]3C2)c(OC)c1	ZINC000247203534	249315150	/nfs/dbraw/zinc/31/51/50/249315150.db2.gz	PDJBLGOOUSQIHD-ROUUACIJSA-N	1	1	346.471	1.943	10	30		EDEEMO
N#Cc1c(Br)cccc1NC1CC[NH+](CC(N)=O)CC1	ZINC000169028466	226229620	/nfs/dbraw/zinc/22/96/20/226229620.db2.gz	BFVIDJRBFKXULN-UHFFFAOYSA-N	1	1	337.221	1.682	10	30		EDEEMO
CC[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000105826507	441282215	/nfs/dbraw/zinc/28/22/15/441282215.db2.gz	LXKDAPDFQMQTMC-NXHRZFHOSA-N	1	1	347.459	1.075	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000105836661	441288756	/nfs/dbraw/zinc/28/87/56/441288756.db2.gz	ASXITGPWZAVCOB-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836661	441288760	/nfs/dbraw/zinc/28/87/60/441288760.db2.gz	ASXITGPWZAVCOB-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836661	441288762	/nfs/dbraw/zinc/28/87/62/441288762.db2.gz	ASXITGPWZAVCOB-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000105836659	441288802	/nfs/dbraw/zinc/28/88/02/441288802.db2.gz	ASXITGPWZAVCOB-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836659	441288805	/nfs/dbraw/zinc/28/88/05/441288805.db2.gz	ASXITGPWZAVCOB-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836659	441288809	/nfs/dbraw/zinc/28/88/09/441288809.db2.gz	ASXITGPWZAVCOB-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000076106916	441598611	/nfs/dbraw/zinc/59/86/11/441598611.db2.gz	VALWQFUHNZTQHI-HOTGVXAUSA-N	1	1	331.416	1.586	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000161219707	441973940	/nfs/dbraw/zinc/97/39/40/441973940.db2.gz	BFJNJTDCOYVEEK-HIFRSBDPSA-N	1	1	331.416	1.791	10	30		EDEEMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000170657150	442243633	/nfs/dbraw/zinc/24/36/33/442243633.db2.gz	QMMQUAZSOXUAIU-MRXNPFEDSA-N	1	1	330.413	1.534	10	30		EDEEMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000131523017	442373967	/nfs/dbraw/zinc/37/39/67/442373967.db2.gz	ZQZTYKIXJQBEGZ-MRXNPFEDSA-N	1	1	332.452	1.369	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194157954	442854488	/nfs/dbraw/zinc/85/44/88/442854488.db2.gz	AVTYOTSBDALYJW-CYBMUJFWSA-N	1	1	334.807	1.751	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1)C1CC1	ZINC000249545046	442984815	/nfs/dbraw/zinc/98/48/15/442984815.db2.gz	FYLWPXCUTQLMJN-YSVLISHTSA-N	1	1	333.457	1.564	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1)C1CC1	ZINC000249545046	442984821	/nfs/dbraw/zinc/98/48/21/442984821.db2.gz	FYLWPXCUTQLMJN-YSVLISHTSA-N	1	1	333.457	1.564	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000195517861	443027226	/nfs/dbraw/zinc/02/72/26/443027226.db2.gz	AWRCHUTUBGIPEB-OAHLLOKOSA-N	1	1	345.447	1.975	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1	ZINC000195517861	443027230	/nfs/dbraw/zinc/02/72/30/443027230.db2.gz	AWRCHUTUBGIPEB-OAHLLOKOSA-N	1	1	345.447	1.975	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000186008417	443296502	/nfs/dbraw/zinc/29/65/02/443296502.db2.gz	QWEDJOHFCKISKD-CHWSQXEVSA-N	1	1	334.395	1.294	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000249182550	139188536	/nfs/dbraw/zinc/18/85/36/139188536.db2.gz	NMJIGWITUVVZDH-RISCZKNCSA-N	1	1	330.363	1.331	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000190078819	267065256	/nfs/dbraw/zinc/06/52/56/267065256.db2.gz	GUMBQTNOPMNTGJ-BXUZGUMPSA-N	1	1	346.818	1.845	10	30		EDEEMO
CC(C)n1cc([C@]2(O)CC[N@@H+](CCOc3ccc(C#N)cc3)C2)nn1	ZINC000583618478	448446331	/nfs/dbraw/zinc/44/63/31/448446331.db2.gz	ZUDLZDLIXSOWEA-SFHVURJKSA-N	1	1	341.415	1.703	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000247250505	535215390	/nfs/dbraw/zinc/21/53/90/535215390.db2.gz	TWKBTHDIQNYVTG-MSOLQXFVSA-N	1	1	333.480	1.157	10	30		EDEEMO
COc1cc2c(cc1O)[C@@]13C=C(OC)C(=O)C=C1[C@@H](C2)[N@H+](C)CC3	ZINC000034582305	560087083	/nfs/dbraw/zinc/08/70/83/560087083.db2.gz	GSNZKNRMDZYEAI-AUUYWEPGSA-N	1	1	327.380	1.938	10	30	biogenic,in-vitro	EDEEMO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@](O)(c2cn(C(C)C)nn2)C1	ZINC000794082799	580872224	/nfs/dbraw/zinc/87/22/24/580872224.db2.gz	BNYZQEUNXUXQAS-GOSISDBHSA-N	1	1	341.415	1.833	10	30		EDEEMO
COc1ccc(C#N)cc1C[N@H+]1CC[C@](O)(c2cn(C(C)C)nn2)C1	ZINC000794082799	580872225	/nfs/dbraw/zinc/87/22/25/580872225.db2.gz	BNYZQEUNXUXQAS-GOSISDBHSA-N	1	1	341.415	1.833	10	30		EDEEMO
CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](Nc3nc(C)cc(C#N)n3)C2)[C@H]1C(C)C	ZINC000888099373	591029055	/nfs/dbraw/zinc/02/90/55/591029055.db2.gz	WLTZAKCJXLUDNV-YFHUEUNASA-N	1	1	329.448	1.938	10	30		EDEEMO
CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000101564225	219137547	/nfs/dbraw/zinc/13/75/47/219137547.db2.gz	LNFNADPZIZLMIE-IRXDYDNUSA-N	1	1	345.443	1.679	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000249258348	139189840	/nfs/dbraw/zinc/18/98/40/139189840.db2.gz	YTNWLAMPBNQQKL-HOTGVXAUSA-N	1	1	326.400	1.582	10	30		EDEEMO
C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000177902651	442394536	/nfs/dbraw/zinc/39/45/36/442394536.db2.gz	DRRICAZDYYNKNE-MLGOLLRUSA-N	1	1	332.379	1.882	10	30		EDEEMO
Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000178332247	442424854	/nfs/dbraw/zinc/42/48/54/442424854.db2.gz	YMNJTZFUMQYELB-MSOLQXFVSA-N	1	1	340.427	1.968	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1	ZINC000188083698	442709248	/nfs/dbraw/zinc/70/92/48/442709248.db2.gz	NKPNGIWEMMLFKS-HNNXBMFYSA-N	1	1	331.416	1.883	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1	ZINC000188083698	442709250	/nfs/dbraw/zinc/70/92/50/442709250.db2.gz	NKPNGIWEMMLFKS-HNNXBMFYSA-N	1	1	331.416	1.883	10	30		EDEEMO
CC[C@H]1CN(C(=O)COc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000246986275	442826373	/nfs/dbraw/zinc/82/63/73/442826373.db2.gz	UVQOIOJAWZORQO-HOCLYGCPSA-N	1	1	331.416	1.241	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1	ZINC000105806362	527927070	/nfs/dbraw/zinc/92/70/70/527927070.db2.gz	YAPJDTVGWRDIBS-SFHVURJKSA-N	1	1	344.463	1.432	10	30		EDEEMO
CC[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000174609796	529363705	/nfs/dbraw/zinc/36/37/05/529363705.db2.gz	DJPWFJJHTGGAGZ-GDBMZVCRSA-N	1	1	347.484	1.954	10	30		EDEEMO
CC[C@@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174609796	529363707	/nfs/dbraw/zinc/36/37/07/529363707.db2.gz	DJPWFJJHTGGAGZ-GDBMZVCRSA-N	1	1	347.484	1.954	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000247019530	139131598	/nfs/dbraw/zinc/13/15/98/139131598.db2.gz	PACJHTOMOQTSRI-HOCLYGCPSA-N	1	1	328.416	1.815	10	30		EDEEMO
CC[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000105836560	441288504	/nfs/dbraw/zinc/28/85/04/441288504.db2.gz	IZNNTKVGLUPFQJ-ROUUACIJSA-N	1	1	347.459	1.341	10	30		EDEEMO
CC[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836560	441288509	/nfs/dbraw/zinc/28/85/09/441288509.db2.gz	IZNNTKVGLUPFQJ-ROUUACIJSA-N	1	1	347.459	1.341	10	30		EDEEMO
CC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1CCOC	ZINC000105836560	441288515	/nfs/dbraw/zinc/28/85/15/441288515.db2.gz	IZNNTKVGLUPFQJ-ROUUACIJSA-N	1	1	347.459	1.341	10	30		EDEEMO
C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCCC1=O	ZINC000111685419	441539997	/nfs/dbraw/zinc/53/99/97/441539997.db2.gz	UGGXYKGJTRTJHU-MRXNPFEDSA-N	1	1	333.388	1.566	10	30		EDEEMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCCC1=O	ZINC000111685419	441540001	/nfs/dbraw/zinc/54/00/01/441540001.db2.gz	UGGXYKGJTRTJHU-MRXNPFEDSA-N	1	1	333.388	1.566	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1	ZINC000249206879	442960361	/nfs/dbraw/zinc/96/03/61/442960361.db2.gz	RWXXCOUTQHRFHD-ZBFHGGJFSA-N	1	1	343.427	1.885	10	30		EDEEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000122092550	282211169	/nfs/dbraw/zinc/21/11/69/282211169.db2.gz	JNCYHQMLVFXFGX-INIZCTEOSA-N	1	1	337.379	1.963	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C)Oc1ncc(Cl)cn1	ZINC000072407515	216198003	/nfs/dbraw/zinc/19/80/03/216198003.db2.gz	ZFIPWTXNMJBLFO-ZDUSSCGKSA-N	1	1	326.828	1.864	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CC(=O)N(C)C)Oc1ncc(Cl)cn1	ZINC000072407515	216198005	/nfs/dbraw/zinc/19/80/05/216198005.db2.gz	ZFIPWTXNMJBLFO-ZDUSSCGKSA-N	1	1	326.828	1.864	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000246502117	139111017	/nfs/dbraw/zinc/11/10/17/139111017.db2.gz	SFDBSGSUQRVVRZ-IAQYHMDHSA-N	1	1	348.834	1.995	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000252352532	139204216	/nfs/dbraw/zinc/20/42/16/139204216.db2.gz	MFJCHCLXLCMYCE-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000252352532	139204217	/nfs/dbraw/zinc/20/42/17/139204217.db2.gz	MFJCHCLXLCMYCE-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000252352532	139204218	/nfs/dbraw/zinc/20/42/18/139204218.db2.gz	MFJCHCLXLCMYCE-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[N@@H+]1[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC000248071897	257666829	/nfs/dbraw/zinc/66/68/29/257666829.db2.gz	XSFWGOTYJCWDGS-GBESFXJTSA-N	1	1	349.438	1.990	10	30		EDEEMO
N#Cc1ccc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)nc1	ZINC000159177511	225164172	/nfs/dbraw/zinc/16/41/72/225164172.db2.gz	QIWLABWPZWZIMI-KRWDZBQOSA-N	1	1	336.395	1.102	10	30		EDEEMO
C#CC[NH+]1CCC(C(=O)N2CCN(CCOCC)[C@@H](CC)C2)CC1	ZINC000116769094	441841900	/nfs/dbraw/zinc/84/19/00/441841900.db2.gz	PCAGBHBXAVNCPI-SFHVURJKSA-N	1	1	335.492	1.291	10	30		EDEEMO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1[NH+]1CCOCC1	ZINC000175764919	442118542	/nfs/dbraw/zinc/11/85/42/442118542.db2.gz	IGPLIMDFJAXPIP-CXAGYDPISA-N	1	1	346.406	1.559	10	30		EDEEMO
CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)cc1	ZINC000121046743	442169728	/nfs/dbraw/zinc/16/97/28/442169728.db2.gz	RCIKWZDTWYZCRU-IBGZPJMESA-N	1	1	328.460	1.943	10	30		EDEEMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000177695184	442372080	/nfs/dbraw/zinc/37/20/80/442372080.db2.gz	DHNPIGADCLMAIW-INIZCTEOSA-N	1	1	343.427	1.887	10	30		EDEEMO
Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000131664298	442377305	/nfs/dbraw/zinc/37/73/05/442377305.db2.gz	ORVBCCUDEVJHTM-INIZCTEOSA-N	1	1	329.448	1.886	10	30		EDEEMO
CC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000134397649	442478276	/nfs/dbraw/zinc/47/82/76/442478276.db2.gz	FBGWEEBPMCUDIM-WBVHZDCISA-N	1	1	345.443	1.435	10	30		EDEEMO
C=C[C@@](C)(CC)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000135024658	442548648	/nfs/dbraw/zinc/54/86/48/442548648.db2.gz	VXBCNTSZBATQMB-MJGOQNOKSA-N	1	1	337.508	1.842	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000180702989	442650036	/nfs/dbraw/zinc/65/00/36/442650036.db2.gz	XNBZHYLTJYIWER-ROUUACIJSA-N	1	1	349.523	1.095	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1	ZINC000249206947	442959722	/nfs/dbraw/zinc/95/97/22/442959722.db2.gz	RYFYVQZUPNXKPD-SJORKVTESA-N	1	1	325.412	1.692	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1	ZINC000249905172	443007913	/nfs/dbraw/zinc/00/79/13/443007913.db2.gz	URXFYAFAULIGMZ-HUUCEWRRSA-N	1	1	332.452	1.486	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1	ZINC000249905172	443007914	/nfs/dbraw/zinc/00/79/14/443007914.db2.gz	URXFYAFAULIGMZ-HUUCEWRRSA-N	1	1	332.452	1.486	10	30		EDEEMO
CCn1cc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1	ZINC000195500072	443025725	/nfs/dbraw/zinc/02/57/25/443025725.db2.gz	MQWGOHZZWVBJIW-GOSISDBHSA-N	1	1	329.448	1.891	10	30		EDEEMO
N#Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl	ZINC000195045614	139005463	/nfs/dbraw/zinc/00/54/63/139005463.db2.gz	NAPRHTQXNAMCJG-CQSZACIVSA-N	1	1	346.818	1.847	10	30		EDEEMO
N#Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1Cl	ZINC000195045614	139005464	/nfs/dbraw/zinc/00/54/64/139005464.db2.gz	NAPRHTQXNAMCJG-CQSZACIVSA-N	1	1	346.818	1.847	10	30		EDEEMO
C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000122466940	222093481	/nfs/dbraw/zinc/09/34/81/222093481.db2.gz	CDXGWEGMOPEHKX-UHFFFAOYSA-N	1	1	335.452	1.230	10	30		EDEEMO
C=CCCOCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000122466940	222093482	/nfs/dbraw/zinc/09/34/82/222093482.db2.gz	CDXGWEGMOPEHKX-UHFFFAOYSA-N	1	1	335.452	1.230	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000123346061	222260363	/nfs/dbraw/zinc/26/03/63/222260363.db2.gz	BYLGZLINZHWCKF-RISCZKNCSA-N	1	1	325.409	1.704	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000105834813	276322063	/nfs/dbraw/zinc/32/20/63/276322063.db2.gz	GHIGNPVGLXDDFT-INIZCTEOSA-N	1	1	336.480	1.372	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C	ZINC000105834813	276322065	/nfs/dbraw/zinc/32/20/65/276322065.db2.gz	GHIGNPVGLXDDFT-INIZCTEOSA-N	1	1	336.480	1.372	10	30		EDEEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000106398181	441339385	/nfs/dbraw/zinc/33/93/85/441339385.db2.gz	FUKNQJPJXQMZFN-KRWDZBQOSA-N	1	1	347.484	1.707	10	30		EDEEMO
N#CC1(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)CCCCC1	ZINC000105886307	441306400	/nfs/dbraw/zinc/30/64/00/441306400.db2.gz	QHOHNXIQZBNXJL-UHFFFAOYSA-N	1	1	329.448	1.938	10	30		EDEEMO
C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000177246693	442319386	/nfs/dbraw/zinc/31/93/86/442319386.db2.gz	KQSWKAPGCMRUAT-PBHICJAKSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000177246693	442319387	/nfs/dbraw/zinc/31/93/87/442319387.db2.gz	KQSWKAPGCMRUAT-PBHICJAKSA-N	1	1	328.416	1.149	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000158069154	442643974	/nfs/dbraw/zinc/64/39/74/442643974.db2.gz	IIRPVPCEAAPCST-MRXNPFEDSA-N	1	1	341.415	1.949	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249598308	442993145	/nfs/dbraw/zinc/99/31/45/442993145.db2.gz	XKYFBEKYTDVTQT-FPMFFAJLSA-N	1	1	337.445	1.156	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000249860455	443006645	/nfs/dbraw/zinc/00/66/45/443006645.db2.gz	FSBYQEMWHDJPRO-HOTGVXAUSA-N	1	1	329.448	1.824	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000195515997	443027110	/nfs/dbraw/zinc/02/71/10/443027110.db2.gz	FSBYQEMWHDJPRO-JKSUJKDBSA-N	1	1	329.448	1.824	10	30		EDEEMO
CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174621810	529362364	/nfs/dbraw/zinc/36/23/64/529362364.db2.gz	LMKNUAKHYUTPBJ-CRAIPNDOSA-N	1	1	329.444	1.794	10	30		EDEEMO
COCC[N@@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000177054430	285051582	/nfs/dbraw/zinc/05/15/82/285051582.db2.gz	TZAVDMXDXYWQRG-YOEHRIQHSA-N	1	1	331.416	1.425	10	30		EDEEMO
COCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000177054430	285051585	/nfs/dbraw/zinc/05/15/85/285051585.db2.gz	TZAVDMXDXYWQRG-YOEHRIQHSA-N	1	1	331.416	1.425	10	30		EDEEMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)COC(C)(C)C	ZINC000154851549	224315640	/nfs/dbraw/zinc/31/56/40/224315640.db2.gz	BOQLAOTTYPHLQU-KGLIPLIRSA-N	1	1	333.436	1.035	10	30		EDEEMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)COC(C)(C)C	ZINC000154851549	224315642	/nfs/dbraw/zinc/31/56/42/224315642.db2.gz	BOQLAOTTYPHLQU-KGLIPLIRSA-N	1	1	333.436	1.035	10	30		EDEEMO
CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000105825640	441281846	/nfs/dbraw/zinc/28/18/46/441281846.db2.gz	KMLHODBNZNZCCG-RHSMWYFYSA-N	1	1	330.432	1.274	10	30		EDEEMO
COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000105831686	441283847	/nfs/dbraw/zinc/28/38/47/441283847.db2.gz	YZWJBUXCJYXDFP-CABCVRRESA-N	1	1	330.432	1.538	10	30		EDEEMO
COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000105831686	441283852	/nfs/dbraw/zinc/28/38/52/441283852.db2.gz	YZWJBUXCJYXDFP-CABCVRRESA-N	1	1	330.432	1.538	10	30		EDEEMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000105889829	441309298	/nfs/dbraw/zinc/30/92/98/441309298.db2.gz	JIRZWQWSPOJZGZ-QGZVFWFLSA-N	1	1	339.399	1.484	10	30		EDEEMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1	ZINC000105889829	441309300	/nfs/dbraw/zinc/30/93/00/441309300.db2.gz	JIRZWQWSPOJZGZ-QGZVFWFLSA-N	1	1	339.399	1.484	10	30		EDEEMO
CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000180051290	442533637	/nfs/dbraw/zinc/53/36/37/442533637.db2.gz	YJSRZPQKBZOMFM-CABCVRRESA-N	1	1	346.431	1.898	10	30		EDEEMO
CCCCOC[C@@H](O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1	ZINC000193371320	442736668	/nfs/dbraw/zinc/73/66/68/442736668.db2.gz	IRMIGHMFGCZUQU-HNNXBMFYSA-N	1	1	335.423	1.997	10	30		EDEEMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)sc2c1CCCC2	ZINC000185157069	443149636	/nfs/dbraw/zinc/14/96/36/443149636.db2.gz	RFXVALRCZXRBKM-NEPJUHHUSA-N	1	1	349.456	1.255	10	30		EDEEMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000185797857	443259043	/nfs/dbraw/zinc/25/90/43/443259043.db2.gz	XPWZFPFKIREAHV-JSGCOSHPSA-N	1	1	337.445	1.574	10	30		EDEEMO
C#CCOC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(C)cc1	ZINC000036101728	518299971	/nfs/dbraw/zinc/29/99/71/518299971.db2.gz	OCRZDTKOQPILQR-FQEVSTJZSA-N	1	1	346.471	1.140	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000247200493	535608603	/nfs/dbraw/zinc/60/86/03/535608603.db2.gz	OXQYCQLQNRZJFS-JKSUJKDBSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000247200493	535608608	/nfs/dbraw/zinc/60/86/08/535608608.db2.gz	OXQYCQLQNRZJFS-JKSUJKDBSA-N	1	1	344.459	1.928	10	30		EDEEMO
CC[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247133713	536132528	/nfs/dbraw/zinc/13/25/28/536132528.db2.gz	KMLHODBNZNZCCG-YOEHRIQHSA-N	1	1	330.432	1.274	10	30		EDEEMO
C=CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC1)NCCNC2=O	ZINC000067540809	215159527	/nfs/dbraw/zinc/15/95/27/215159527.db2.gz	KZSIKZHDGMTCEP-UHFFFAOYSA-N	1	1	349.862	1.959	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000247150556	249314779	/nfs/dbraw/zinc/31/47/79/249314779.db2.gz	LMYNSJPBZQJQRQ-IRXDYDNUSA-N	1	1	344.459	1.320	10	30		EDEEMO
C#CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000121508704	441721062	/nfs/dbraw/zinc/72/10/62/441721062.db2.gz	AMUORPOJHRDYIA-UHFFFAOYSA-N	1	1	335.477	1.004	10	30		EDEEMO
C#CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000121508704	441721066	/nfs/dbraw/zinc/72/10/66/441721066.db2.gz	AMUORPOJHRDYIA-UHFFFAOYSA-N	1	1	335.477	1.004	10	30		EDEEMO
CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000125758681	442046099	/nfs/dbraw/zinc/04/60/99/442046099.db2.gz	DTFMPSWZSBHDPU-HZMBPMFUSA-N	1	1	343.399	1.843	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000125758681	442046102	/nfs/dbraw/zinc/04/61/02/442046102.db2.gz	DTFMPSWZSBHDPU-HZMBPMFUSA-N	1	1	343.399	1.843	10	30		EDEEMO
N#CCOc1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1	ZINC000171684164	442370052	/nfs/dbraw/zinc/37/00/52/442370052.db2.gz	XPIPTQHHIHMRIJ-MRXNPFEDSA-N	1	1	328.416	1.969	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1N1CCOCC1	ZINC000156667480	442507699	/nfs/dbraw/zinc/50/76/99/442507699.db2.gz	MLPGBNZGTDDKPZ-APWZRJJASA-N	1	1	329.444	1.980	10	30		EDEEMO
C=CCCS(=O)(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000192150045	442603960	/nfs/dbraw/zinc/60/39/60/442603960.db2.gz	VLIMEUXUFSOGGT-UHFFFAOYSA-N	1	1	346.493	1.630	10	30		EDEEMO
C=CCCS(=O)(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000192150045	442603965	/nfs/dbraw/zinc/60/39/65/442603965.db2.gz	VLIMEUXUFSOGGT-UHFFFAOYSA-N	1	1	346.493	1.630	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249535918	442984246	/nfs/dbraw/zinc/98/42/46/442984246.db2.gz	CKVNBKHWKASRHT-INMHGKMJSA-N	1	1	335.473	1.810	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249535918	442984248	/nfs/dbraw/zinc/98/42/48/442984248.db2.gz	CKVNBKHWKASRHT-INMHGKMJSA-N	1	1	335.473	1.810	10	30		EDEEMO
C[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173879528	534307810	/nfs/dbraw/zinc/30/78/10/534307810.db2.gz	KYJRRDSSTDNVFG-QAPCUYQASA-N	1	1	343.427	1.311	10	30		EDEEMO
C#CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1	ZINC000154796162	527141309	/nfs/dbraw/zinc/14/13/09/527141309.db2.gz	SGIFMVOWZCTBNN-UHFFFAOYSA-N	1	1	349.504	1.487	10	30		EDEEMO
C#CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1	ZINC000154796162	527141313	/nfs/dbraw/zinc/14/13/13/527141313.db2.gz	SGIFMVOWZCTBNN-UHFFFAOYSA-N	1	1	349.504	1.487	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1C	ZINC000117279608	595605283	/nfs/dbraw/zinc/60/52/83/595605283.db2.gz	ORVUSRMOBLKLOV-OAHLLOKOSA-N	1	1	331.416	1.772	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)c2ccccc2OCC#N)C[C@H]1C	ZINC000117279608	595605287	/nfs/dbraw/zinc/60/52/87/595605287.db2.gz	ORVUSRMOBLKLOV-OAHLLOKOSA-N	1	1	331.416	1.772	10	30		EDEEMO
CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1	ZINC000101729687	219159505	/nfs/dbraw/zinc/15/95/05/219159505.db2.gz	WKNLNYHTEJOLNV-HNNXBMFYSA-N	1	1	335.423	1.995	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1	ZINC000072453580	216241539	/nfs/dbraw/zinc/24/15/39/216241539.db2.gz	YZDQVBVKQZCAQT-HNNXBMFYSA-N	1	1	349.479	1.585	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1	ZINC000072453580	216241543	/nfs/dbraw/zinc/24/15/43/216241543.db2.gz	YZDQVBVKQZCAQT-HNNXBMFYSA-N	1	1	349.479	1.585	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000249258342	139189740	/nfs/dbraw/zinc/18/97/40/139189740.db2.gz	YTNWLAMPBNQQKL-CVEARBPZSA-N	1	1	326.400	1.582	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000177054639	286090156	/nfs/dbraw/zinc/09/01/56/286090156.db2.gz	RUPSWBJIXWHYGR-YJBOKZPZSA-N	1	1	345.443	1.815	10	30		EDEEMO
CC[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000105825642	441281577	/nfs/dbraw/zinc/28/15/77/441281577.db2.gz	KMLHODBNZNZCCG-PBHICJAKSA-N	1	1	330.432	1.274	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000152116967	442166634	/nfs/dbraw/zinc/16/66/34/442166634.db2.gz	VXDARQIXISYJBT-CQSZACIVSA-N	1	1	325.409	1.802	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000155680105	442419032	/nfs/dbraw/zinc/41/90/32/442419032.db2.gz	CGNXGSQHPIDOTQ-SJCJKPOMSA-N	1	1	344.459	1.641	10	30		EDEEMO
Cn1cnnc1C[C@@]1(O)CCC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000888076832	590933132	/nfs/dbraw/zinc/93/31/32/590933132.db2.gz	KZGXEEDFTNIXNS-KRWDZBQOSA-N	1	1	329.379	1.395	10	30		EDEEMO
Cn1cnnc1C[C@@]1(O)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000888076832	590933133	/nfs/dbraw/zinc/93/31/33/590933133.db2.gz	KZGXEEDFTNIXNS-KRWDZBQOSA-N	1	1	329.379	1.395	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245541969	139078472	/nfs/dbraw/zinc/07/84/72/139078472.db2.gz	LAGCKZVLSNMJRO-ZBFHGGJFSA-N	1	1	333.457	1.500	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246620575	139115572	/nfs/dbraw/zinc/11/55/72/139115572.db2.gz	RYCJSIQDSONRHS-PWSUYJOCSA-N	1	1	341.383	1.694	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000247686428	249318172	/nfs/dbraw/zinc/31/81/72/249318172.db2.gz	VALWQFUHNZTQHI-HZPDHXFCSA-N	1	1	331.416	1.586	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000252321829	139204157	/nfs/dbraw/zinc/20/41/57/139204157.db2.gz	ZCMAYQAIZKYCGG-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000252321829	139204158	/nfs/dbraw/zinc/20/41/58/139204158.db2.gz	ZCMAYQAIZKYCGG-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000252321829	139204159	/nfs/dbraw/zinc/20/41/59/139204159.db2.gz	ZCMAYQAIZKYCGG-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000105836665	441289566	/nfs/dbraw/zinc/28/95/66/441289566.db2.gz	RAUMZOFNXQKUNZ-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000105836665	441289570	/nfs/dbraw/zinc/28/95/70/441289570.db2.gz	RAUMZOFNXQKUNZ-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000105836665	441289573	/nfs/dbraw/zinc/28/95/73/441289573.db2.gz	RAUMZOFNXQKUNZ-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000105889838	441309323	/nfs/dbraw/zinc/30/93/23/441309323.db2.gz	ZAOQQDJOOYBEFO-QGZVFWFLSA-N	1	1	339.399	1.484	10	30		EDEEMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000105889838	441309325	/nfs/dbraw/zinc/30/93/25/441309325.db2.gz	ZAOQQDJOOYBEFO-QGZVFWFLSA-N	1	1	339.399	1.484	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000113231926	441590548	/nfs/dbraw/zinc/59/05/48/441590548.db2.gz	SJJNWMCYGPHIQK-SWLSCSKDSA-N	1	1	342.443	1.491	10	30		EDEEMO
Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000116394690	441816593	/nfs/dbraw/zinc/81/65/93/441816593.db2.gz	FXQUAUALWMKFOD-RHSMWYFYSA-N	1	1	349.394	1.413	10	30		EDEEMO
Cn1cc([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000116394690	441816595	/nfs/dbraw/zinc/81/65/95/441816595.db2.gz	FXQUAUALWMKFOD-RHSMWYFYSA-N	1	1	349.394	1.413	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000172335897	442445801	/nfs/dbraw/zinc/44/58/01/442445801.db2.gz	HHYLZUFENVZQFA-CYBMUJFWSA-N	1	1	334.395	1.559	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000172335897	442445805	/nfs/dbraw/zinc/44/58/05/442445805.db2.gz	HHYLZUFENVZQFA-CYBMUJFWSA-N	1	1	334.395	1.559	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000185039506	443123735	/nfs/dbraw/zinc/12/37/35/443123735.db2.gz	NQHUJBUFKMKVQS-ZBFHGGJFSA-N	1	1	343.427	1.482	10	30		EDEEMO
CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000174609812	529270092	/nfs/dbraw/zinc/27/00/92/529270092.db2.gz	DJPWFJJHTGGAGZ-ZBFHGGJFSA-N	1	1	347.484	1.954	10	30		EDEEMO
CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174609812	529270093	/nfs/dbraw/zinc/27/00/93/529270093.db2.gz	DJPWFJJHTGGAGZ-ZBFHGGJFSA-N	1	1	347.484	1.954	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000246748613	535256241	/nfs/dbraw/zinc/25/62/41/535256241.db2.gz	BHQQEUOUDZXCHL-CZUORRHYSA-N	1	1	328.416	1.133	10	30		EDEEMO
CCCCCCCCCCCC[N@@H+](C[C@@H](O)CO)C[C@H](O)CO	ZINC000100310835	219096948	/nfs/dbraw/zinc/09/69/48/219096948.db2.gz	MVKAHJLPJBMCFN-HDICACEKSA-N	1	1	333.513	1.916	10	30		EDEEMO
CCCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000245200621	139071100	/nfs/dbraw/zinc/07/11/00/139071100.db2.gz	LNFNADPZIZLMIE-DLBZAZTESA-N	1	1	345.443	1.679	10	30		EDEEMO
C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246021202	139092664	/nfs/dbraw/zinc/09/26/64/139092664.db2.gz	MLPGBNZGTDDKPZ-QFBILLFUSA-N	1	1	329.444	1.980	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000246781802	139121362	/nfs/dbraw/zinc/12/13/62/139121362.db2.gz	BERJQEGYDOCLJW-ZFWWWQNUSA-N	1	1	329.400	1.641	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000105823434	441280761	/nfs/dbraw/zinc/28/07/61/441280761.db2.gz	UJMGMUWZSIFKBP-HUUCEWRRSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000105823434	441280764	/nfs/dbraw/zinc/28/07/64/441280764.db2.gz	UJMGMUWZSIFKBP-HUUCEWRRSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000105823434	441280767	/nfs/dbraw/zinc/28/07/67/441280767.db2.gz	UJMGMUWZSIFKBP-HUUCEWRRSA-N	1	1	330.432	1.274	10	30		EDEEMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000181561404	442703859	/nfs/dbraw/zinc/70/38/59/442703859.db2.gz	HGVMPXOHVOOWCV-HNNXBMFYSA-N	1	1	330.436	1.139	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000181719026	442712447	/nfs/dbraw/zinc/71/24/47/442712447.db2.gz	VPEVAEQLVWSMDS-OAHLLOKOSA-N	1	1	334.395	1.295	10	30		EDEEMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000248535859	442899304	/nfs/dbraw/zinc/89/93/04/442899304.db2.gz	GQWXLGHSGVBDLQ-KGLIPLIRSA-N	1	1	342.399	1.223	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000248649033	442913013	/nfs/dbraw/zinc/91/30/13/442913013.db2.gz	KIERMXLOKMCDNB-HUUCEWRRSA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000248649033	442913017	/nfs/dbraw/zinc/91/30/17/442913017.db2.gz	KIERMXLOKMCDNB-HUUCEWRRSA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1	ZINC000248649033	442913020	/nfs/dbraw/zinc/91/30/20/442913020.db2.gz	KIERMXLOKMCDNB-HUUCEWRRSA-N	1	1	334.489	1.343	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1	ZINC000105807221	528690802	/nfs/dbraw/zinc/69/08/02/528690802.db2.gz	AYPXCISIUULPAQ-OAHLLOKOSA-N	1	1	344.463	1.385	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1	ZINC000246537481	536884089	/nfs/dbraw/zinc/88/40/89/536884089.db2.gz	SMNHROHLWHCQPA-NVXWUHKLSA-N	1	1	345.443	1.598	10	30		EDEEMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccnc(C#N)c1)C2	ZINC000888094673	591024434	/nfs/dbraw/zinc/02/44/34/591024434.db2.gz	HTDZQRUXVAEILA-XLMAVXFVSA-N	1	1	328.416	1.163	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1	ZINC000072409709	216201225	/nfs/dbraw/zinc/20/12/25/216201225.db2.gz	OLYFTILSKZXSQP-CQSZACIVSA-N	1	1	335.452	1.276	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1	ZINC000072409709	216201227	/nfs/dbraw/zinc/20/12/27/216201227.db2.gz	OLYFTILSKZXSQP-CQSZACIVSA-N	1	1	335.452	1.276	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000247247913	249315673	/nfs/dbraw/zinc/31/56/73/249315673.db2.gz	SWIACTLBLFMGQF-SJORKVTESA-N	1	1	325.497	1.842	10	30		EDEEMO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000185640011	274091343	/nfs/dbraw/zinc/09/13/43/274091343.db2.gz	MQFOVJNXOIDINH-GXTWGEPZSA-N	1	1	335.429	1.424	10	30		EDEEMO
C=CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000003977940	440908235	/nfs/dbraw/zinc/90/82/35/440908235.db2.gz	UZHSEJADLWPNLE-DQEVTTJGSA-N	1	1	327.380	1.301	10	30	in-man	EDEEMO
COCC[N@@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C	ZINC000152475910	442217856	/nfs/dbraw/zinc/21/78/56/442217856.db2.gz	XXXKHPMLXWAQTE-OAHLLOKOSA-N	1	1	345.443	1.895	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H]1C	ZINC000152475910	442217858	/nfs/dbraw/zinc/21/78/58/442217858.db2.gz	XXXKHPMLXWAQTE-OAHLLOKOSA-N	1	1	345.443	1.895	10	30		EDEEMO
C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000135024693	442548741	/nfs/dbraw/zinc/54/87/41/442548741.db2.gz	VXBCNTSZBATQMB-HKUYNNGSSA-N	1	1	337.508	1.842	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1	ZINC000134841742	442527657	/nfs/dbraw/zinc/52/76/57/442527657.db2.gz	MLMAYTTZGAHYDD-HNNXBMFYSA-N	1	1	347.390	1.875	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1	ZINC000134841742	442527662	/nfs/dbraw/zinc/52/76/62/442527662.db2.gz	MLMAYTTZGAHYDD-HNNXBMFYSA-N	1	1	347.390	1.875	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(CC#Cc3ccccc3)CC2)C1	ZINC000192002144	442561484	/nfs/dbraw/zinc/56/14/84/442561484.db2.gz	OERMYRKHEVKDSU-OAQYLSRUSA-N	1	1	341.499	1.765	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000246528124	442790320	/nfs/dbraw/zinc/79/03/20/442790320.db2.gz	RUPSWBJIXWHYGR-MAUKXSAKSA-N	1	1	345.443	1.815	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000105826824	526540957	/nfs/dbraw/zinc/54/09/57/526540957.db2.gz	SRLPNNCMLAUHEQ-IKGGRYGDSA-N	1	1	325.497	1.577	10	30		EDEEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000129302733	527976387	/nfs/dbraw/zinc/97/63/87/527976387.db2.gz	MMTMDKXZNFJKCQ-OAHLLOKOSA-N	1	1	346.406	1.872	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247404203	535607516	/nfs/dbraw/zinc/60/75/16/535607516.db2.gz	YVBNCWSQUQQLAI-HZPDHXFCSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247404203	535607520	/nfs/dbraw/zinc/60/75/20/535607520.db2.gz	YVBNCWSQUQQLAI-HZPDHXFCSA-N	1	1	344.459	1.928	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000122985076	138318537	/nfs/dbraw/zinc/31/85/37/138318537.db2.gz	WOGDQRGUOXUVGI-HUUCEWRRSA-N	1	1	337.420	1.945	10	30		EDEEMO
C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000105820474	237069819	/nfs/dbraw/zinc/06/98/19/237069819.db2.gz	LZFFCPUTGCUKND-SJLPKXTDSA-N	1	1	344.459	1.098	10	30		EDEEMO
CC[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247154882	139137840	/nfs/dbraw/zinc/13/78/40/139137840.db2.gz	LXKDAPDFQMQTMC-JQHSSLGASA-N	1	1	347.459	1.075	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161219823	441973607	/nfs/dbraw/zinc/97/36/07/441973607.db2.gz	BFJNJTDCOYVEEK-ZFWWWQNUSA-N	1	1	331.416	1.791	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000170903665	442286271	/nfs/dbraw/zinc/28/62/71/442286271.db2.gz	PVXTWRZJPQQFPH-OAHLLOKOSA-N	1	1	338.415	1.540	10	30		EDEEMO
C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000248632617	442910934	/nfs/dbraw/zinc/91/09/34/442910934.db2.gz	RUAXALIUSQQAHI-MSOLQXFVSA-N	1	1	337.508	1.842	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1	ZINC000195381565	443014297	/nfs/dbraw/zinc/01/42/97/443014297.db2.gz	BKBKEXDMGBTZGP-GFCCVEGCSA-N	1	1	336.461	1.897	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1	ZINC000195381565	443014299	/nfs/dbraw/zinc/01/42/99/443014299.db2.gz	BKBKEXDMGBTZGP-GFCCVEGCSA-N	1	1	336.461	1.897	10	30		EDEEMO
CCN(CCC#N)C(=O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195275669	443003532	/nfs/dbraw/zinc/00/35/32/443003532.db2.gz	AFMYLSOBLHFFBH-GOSISDBHSA-N	1	1	343.475	1.597	10	30		EDEEMO
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000173884421	534274124	/nfs/dbraw/zinc/27/41/24/534274124.db2.gz	YZBAIUCDGIDGEV-FVQGUVRESA-N	1	1	325.412	1.751	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000246995185	139130332	/nfs/dbraw/zinc/13/03/32/139130332.db2.gz	KLIFGXWAXMNDAM-IRXDYDNUSA-N	1	1	340.427	1.373	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C	ZINC000247066164	249314118	/nfs/dbraw/zinc/31/41/18/249314118.db2.gz	GHIGNPVGLXDDFT-MRXNPFEDSA-N	1	1	336.480	1.372	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C	ZINC000247066164	249314120	/nfs/dbraw/zinc/31/41/20/249314120.db2.gz	GHIGNPVGLXDDFT-MRXNPFEDSA-N	1	1	336.480	1.372	10	30		EDEEMO
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]2C1=O	ZINC000072462501	441232037	/nfs/dbraw/zinc/23/20/37/441232037.db2.gz	HXOFDHOGLHGHPR-IFXJQAMLSA-N	1	1	349.475	1.327	10	30		EDEEMO
COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000105831650	441284018	/nfs/dbraw/zinc/28/40/18/441284018.db2.gz	QUZZQEKOLSTMKB-CABCVRRESA-N	1	1	330.432	1.538	10	30		EDEEMO
COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000105831650	441284020	/nfs/dbraw/zinc/28/40/20/441284020.db2.gz	QUZZQEKOLSTMKB-CABCVRRESA-N	1	1	330.432	1.538	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000076075275	441593829	/nfs/dbraw/zinc/59/38/29/441593829.db2.gz	QMSMWICGVGFECH-UAGQMJEPSA-N	1	1	345.443	1.975	10	30		EDEEMO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCOCC1	ZINC000175764887	442118534	/nfs/dbraw/zinc/11/85/34/442118534.db2.gz	IGPLIMDFJAXPIP-DYVFJYSZSA-N	1	1	346.406	1.559	10	30		EDEEMO
C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1	ZINC000194047527	442836670	/nfs/dbraw/zinc/83/66/70/442836670.db2.gz	INCUCSQUYHGNQE-MRXNPFEDSA-N	1	1	335.411	1.942	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000195517858	443027008	/nfs/dbraw/zinc/02/70/08/443027008.db2.gz	QHSLPXHOJZBDCE-GUYCJALGSA-N	1	1	331.420	1.441	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000195517858	443027011	/nfs/dbraw/zinc/02/70/11/443027011.db2.gz	QHSLPXHOJZBDCE-GUYCJALGSA-N	1	1	331.420	1.441	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC	ZINC000184877616	443090092	/nfs/dbraw/zinc/09/00/92/443090092.db2.gz	PFLVCIVRMFLTGI-HNNXBMFYSA-N	1	1	343.427	1.580	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1	ZINC000583617346	448442994	/nfs/dbraw/zinc/44/29/94/448442994.db2.gz	XJVUDSWIXOVDOU-IBGZPJMESA-N	1	1	348.410	1.620	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@@](O)(c2c[nH]nn2)C1	ZINC000583617346	448443002	/nfs/dbraw/zinc/44/30/02/448443002.db2.gz	XJVUDSWIXOVDOU-IBGZPJMESA-N	1	1	348.410	1.620	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@@](O)(c2c[nH]nn2)C1	ZINC000583617346	448443006	/nfs/dbraw/zinc/44/30/06/448443006.db2.gz	XJVUDSWIXOVDOU-IBGZPJMESA-N	1	1	348.410	1.620	10	30		EDEEMO
CC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@H+]1C[C@H](C)O	ZINC000247087813	536151279	/nfs/dbraw/zinc/15/12/79/536151279.db2.gz	UFQHQNNSUAHSAO-RDJZCZTQSA-N	1	1	347.459	1.723	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1cncc(C(=O)N(C)C)n1	ZINC000072479676	216259246	/nfs/dbraw/zinc/25/92/46/216259246.db2.gz	AVHFNHCQVBNPIJ-OAHLLOKOSA-N	1	1	349.479	1.385	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1cncc(C(=O)N(C)C)n1	ZINC000072479676	216259249	/nfs/dbraw/zinc/25/92/49/216259249.db2.gz	AVHFNHCQVBNPIJ-OAHLLOKOSA-N	1	1	349.479	1.385	10	30		EDEEMO
C=CCNC(=O)c1ccc(N2CC[N@H+](CCOCC)[C@@H](C)C2)nc1	ZINC000174736120	441962880	/nfs/dbraw/zinc/96/28/80/441962880.db2.gz	HHMQBNAISGKTLW-HNNXBMFYSA-N	1	1	332.448	1.544	10	30		EDEEMO
C#CCOc1ccccc1C[NH+]1CCN(c2ccc3nncn3n2)CC1	ZINC000120496983	442083251	/nfs/dbraw/zinc/08/32/51/442083251.db2.gz	AYZQIPLCPIVRLO-UHFFFAOYSA-N	1	1	348.410	1.459	10	30		EDEEMO
CO[C@@H]1[C@H](OC(=O)C[NH3+])CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@H]1CC=C(C)C	ZINC000096793173	442150886	/nfs/dbraw/zinc/15/08/86/442150886.db2.gz	OHBNYNIEIMYTHU-OPICCCTDSA-N	1	1	339.432	1.565	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249535920	442983503	/nfs/dbraw/zinc/98/35/03/442983503.db2.gz	CKVNBKHWKASRHT-ZOBUZTSGSA-N	1	1	335.473	1.810	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249535920	442983505	/nfs/dbraw/zinc/98/35/05/442983505.db2.gz	CKVNBKHWKASRHT-ZOBUZTSGSA-N	1	1	335.473	1.810	10	30		EDEEMO
N#CCOc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)cc1	ZINC000818525394	593702899	/nfs/dbraw/zinc/70/28/99/593702899.db2.gz	PZLCSCIMEXYMRV-NXHRZFHOSA-N	1	1	343.427	1.235	10	30		EDEEMO
CN(C)[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1ccnn1	ZINC000859755241	596186356	/nfs/dbraw/zinc/18/63/56/596186356.db2.gz	GBQHDLYQXBJPRE-MSOLQXFVSA-N	1	1	340.431	1.406	10	30		EDEEMO
CN(C)[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1ccnn1	ZINC000859755241	596186358	/nfs/dbraw/zinc/18/63/58/596186358.db2.gz	GBQHDLYQXBJPRE-MSOLQXFVSA-N	1	1	340.431	1.406	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245541968	139078489	/nfs/dbraw/zinc/07/84/89/139078489.db2.gz	LAGCKZVLSNMJRO-HOCLYGCPSA-N	1	1	333.457	1.500	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245951316	139091091	/nfs/dbraw/zinc/09/10/91/139091091.db2.gz	CBSVOTUUIVLDMO-SJORKVTESA-N	1	1	347.484	1.891	10	30		EDEEMO
CC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC	ZINC000105836595	441288705	/nfs/dbraw/zinc/28/87/05/441288705.db2.gz	URBRBCASWUXASB-OAHLLOKOSA-N	1	1	348.447	1.749	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000136839377	441727844	/nfs/dbraw/zinc/72/78/44/441727844.db2.gz	STDQPAKQZNTPCO-ZIAGYGMSSA-N	1	1	349.406	1.757	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000136839377	441727850	/nfs/dbraw/zinc/72/78/50/441727850.db2.gz	STDQPAKQZNTPCO-ZIAGYGMSSA-N	1	1	349.406	1.757	10	30		EDEEMO
CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000117309966	441869345	/nfs/dbraw/zinc/86/93/45/441869345.db2.gz	AKZGHQQBQSVVOQ-QGZVFWFLSA-N	1	1	345.443	1.701	10	30		EDEEMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1	ZINC000171704361	442372280	/nfs/dbraw/zinc/37/22/80/442372280.db2.gz	OAJGRTFPJMTNDL-KRWDZBQOSA-N	1	1	338.415	1.862	10	30		EDEEMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)c1ccccc1	ZINC000171704361	442372281	/nfs/dbraw/zinc/37/22/81/442372281.db2.gz	OAJGRTFPJMTNDL-KRWDZBQOSA-N	1	1	338.415	1.862	10	30		EDEEMO
C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000171588242	442359959	/nfs/dbraw/zinc/35/99/59/442359959.db2.gz	URQWQBYEJJEPMS-OAHLLOKOSA-N	1	1	344.459	1.521	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2CC)C1	ZINC000105897383	526606987	/nfs/dbraw/zinc/60/69/87/526606987.db2.gz	OSQWJLKBGBIEET-UONOGXRCSA-N	1	1	333.436	1.483	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000246595718	535257466	/nfs/dbraw/zinc/25/74/66/535257466.db2.gz	ZFFWDSMZOIMZQU-IAQYHMDHSA-N	1	1	332.379	1.481	10	30		EDEEMO
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000177054099	529401417	/nfs/dbraw/zinc/40/14/17/529401417.db2.gz	CXMVLYFRQKGTQE-OLMNPRSZSA-N	1	1	345.443	1.549	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000130293045	237212729	/nfs/dbraw/zinc/21/27/29/237212729.db2.gz	BMBPLFQRPWVWNF-UHFFFAOYSA-N	1	1	343.435	1.133	10	30		EDEEMO
C[C@H](O)CN1C(=O)c2ccc(OC3CC[NH+](C)CC3)cc2[C@H]1C#N	ZINC000071682888	203103534	/nfs/dbraw/zinc/10/35/34/203103534.db2.gz	PKEWRJJUBVVKIQ-YVEFUNNKSA-N	1	1	329.400	1.561	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000161360768	206342691	/nfs/dbraw/zinc/34/26/91/206342691.db2.gz	PCDAIVQNXHSOTQ-NHYWBVRUSA-N	1	1	348.834	1.995	10	30		EDEEMO
CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000247380168	139146719	/nfs/dbraw/zinc/14/67/19/139146719.db2.gz	VVABYKFYQKKSHT-ZMSDIMECSA-N	1	1	344.459	1.662	10	30		EDEEMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177053911	442290419	/nfs/dbraw/zinc/29/04/19/442290419.db2.gz	UIDSTRKJQYUXCF-VBQJREDUSA-N	1	1	331.416	1.159	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000246339983	535256804	/nfs/dbraw/zinc/25/68/04/535256804.db2.gz	GXQXWIBRQCOOMV-IAQYHMDHSA-N	1	1	332.379	1.481	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C	ZINC000247175139	535602981	/nfs/dbraw/zinc/60/29/81/535602981.db2.gz	NCOSVPHIJAQELX-CYBMUJFWSA-N	1	1	348.447	1.749	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C	ZINC000247175139	535602984	/nfs/dbraw/zinc/60/29/84/535602984.db2.gz	NCOSVPHIJAQELX-CYBMUJFWSA-N	1	1	348.447	1.749	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000117296889	441868661	/nfs/dbraw/zinc/86/86/61/441868661.db2.gz	FSRLOTAIDCLDBA-OAHLLOKOSA-N	1	1	331.416	1.311	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000117296889	441868666	/nfs/dbraw/zinc/86/86/66/441868666.db2.gz	FSRLOTAIDCLDBA-OAHLLOKOSA-N	1	1	331.416	1.311	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)C1	ZINC000150772496	441947515	/nfs/dbraw/zinc/94/75/15/441947515.db2.gz	GXQXWIBRQCOOMV-NHYWBVRUSA-N	1	1	332.379	1.481	10	30		EDEEMO
CC(C)[C@H](O)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000154651328	442350067	/nfs/dbraw/zinc/35/00/67/442350067.db2.gz	KHAAUOXDVOJTEG-GOSISDBHSA-N	1	1	329.444	2.000	10	30		EDEEMO
C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177231936	442317078	/nfs/dbraw/zinc/31/70/78/442317078.db2.gz	KEPXURYGNAAEKD-YOEHRIQHSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177231936	442317083	/nfs/dbraw/zinc/31/70/83/442317083.db2.gz	KEPXURYGNAAEKD-YOEHRIQHSA-N	1	1	328.416	1.149	10	30		EDEEMO
CCN(CCC#N)C(=O)CN1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000171561499	442357290	/nfs/dbraw/zinc/35/72/90/442357290.db2.gz	XTQGWLUWDYXLBI-SFHVURJKSA-N	1	1	344.459	1.100	10	30		EDEEMO
C=CCOCCCC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000173093189	442602612	/nfs/dbraw/zinc/60/26/12/442602612.db2.gz	QQOPMKAAACJEIK-GOSISDBHSA-N	1	1	332.444	1.847	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000249142922	442956904	/nfs/dbraw/zinc/95/69/04/442956904.db2.gz	FXWSGYPEUGXFAW-GJZGRUSLSA-N	1	1	341.411	1.332	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000190347561	443089677	/nfs/dbraw/zinc/08/96/77/443089677.db2.gz	YTNWLAMPBNQQKL-JKSUJKDBSA-N	1	1	326.400	1.582	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185817346	443262680	/nfs/dbraw/zinc/26/26/80/443262680.db2.gz	HMZIUDFQZKOZJA-CQSZACIVSA-N	1	1	337.445	1.672	10	30		EDEEMO
Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccc(C#N)cn2)CCC[N@H+]1C	ZINC000583619654	448449860	/nfs/dbraw/zinc/44/98/60/448449860.db2.gz	YHEQYWWTYFRRHO-WMLDXEAASA-N	1	1	338.415	1.500	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000110742853	529226571	/nfs/dbraw/zinc/22/65/71/529226571.db2.gz	DDWONMZFEVMXOY-MRXNPFEDSA-N	1	1	331.416	1.047	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1	ZINC000246537474	536884285	/nfs/dbraw/zinc/88/42/85/536884285.db2.gz	SMNHROHLWHCQPA-DOTOQJQBSA-N	1	1	345.443	1.598	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000105835782	204169920	/nfs/dbraw/zinc/16/99/20/204169920.db2.gz	QVPUQWRSSVWHMX-MAUKXSAKSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000245200623	139071061	/nfs/dbraw/zinc/07/10/61/139071061.db2.gz	LNFNADPZIZLMIE-IAGOWNOFSA-N	1	1	345.443	1.679	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000246237710	139100443	/nfs/dbraw/zinc/10/04/43/139100443.db2.gz	QYSDQBVTHZQTEN-ZBFHGGJFSA-N	1	1	333.457	1.500	10	30		EDEEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000246502133	139111103	/nfs/dbraw/zinc/11/11/03/139111103.db2.gz	SFDBSGSUQRVVRZ-XHDPSFHLSA-N	1	1	348.834	1.995	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000247019553	139131619	/nfs/dbraw/zinc/13/16/19/139131619.db2.gz	PACJHTOMOQTSRI-ZBFHGGJFSA-N	1	1	328.416	1.815	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[NH+](C[C@@H](O)CC)CC2)c1C	ZINC000118859093	221197681	/nfs/dbraw/zinc/19/76/81/221197681.db2.gz	VHVGLQCVXPMNKQ-KRWDZBQOSA-N	1	1	333.476	1.862	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000113231925	441591071	/nfs/dbraw/zinc/59/10/71/441591071.db2.gz	SJJNWMCYGPHIQK-WFASDCNBSA-N	1	1	342.443	1.491	10	30		EDEEMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000181897191	442720826	/nfs/dbraw/zinc/72/08/26/442720826.db2.gz	GQWXLGHSGVBDLQ-UONOGXRCSA-N	1	1	342.399	1.223	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194157929	442853910	/nfs/dbraw/zinc/85/39/10/442853910.db2.gz	AVTYOTSBDALYJW-ZDUSSCGKSA-N	1	1	334.807	1.751	10	30		EDEEMO
Cn1nccc1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000195503050	443025955	/nfs/dbraw/zinc/02/59/55/443025955.db2.gz	SUKCOOKQFXKNBW-UHFFFAOYSA-N	1	1	329.448	1.942	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000195517859	443027064	/nfs/dbraw/zinc/02/70/64/443027064.db2.gz	QHSLPXHOJZBDCE-DYVFJYSZSA-N	1	1	331.420	1.441	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1	ZINC000195517859	443027068	/nfs/dbraw/zinc/02/70/68/443027068.db2.gz	QHSLPXHOJZBDCE-DYVFJYSZSA-N	1	1	331.420	1.441	10	30		EDEEMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccnc(C#N)c1)C2	ZINC000888094671	591024174	/nfs/dbraw/zinc/02/41/74/591024174.db2.gz	HTDZQRUXVAEILA-KONPQCLYSA-N	1	1	328.416	1.163	10	30		EDEEMO
Cn1c(C[C@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)n2)n[nH]c1=O	ZINC000888098668	591028782	/nfs/dbraw/zinc/02/87/82/591028782.db2.gz	JXPRZXGYZZECOI-IUODEOHRSA-N	1	1	326.404	1.678	10	30		EDEEMO
CCOC(=O)[C@@H]([NH3+])CSCCC(=O)Nc1sccc1C#N	ZINC000069584722	202286013	/nfs/dbraw/zinc/28/60/13/202286013.db2.gz	NEEYOYJVJKIOAG-JTQLQIEISA-N	1	1	327.431	1.572	10	30		EDEEMO
C[NH+]=C(NC[C@H]1CCOC1)NCC1(N2CCSCC2)CCCC1	ZINC000262857867	249324846	/nfs/dbraw/zinc/32/48/46/249324846.db2.gz	YKYJBBUVLIEFPR-OAHLLOKOSA-N	1	1	340.537	1.550	10	30		EDEEMO
COC(=O)[C@@]12O[C@@]13C[C@H](c1ccc(C)cc1C)[N@@H+](C)C[C@@]3(C)OC2=O	ZINC000097957505	441147745	/nfs/dbraw/zinc/14/77/45/441147745.db2.gz	YXVJIMLLOWNOQQ-AXUOBQJMSA-N	1	1	345.395	1.676	10	30		EDEEMO
C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000177832960	442389424	/nfs/dbraw/zinc/38/94/24/442389424.db2.gz	RBOVRPWDJHPJDB-BLLLJJGKSA-N	1	1	332.379	1.882	10	30		EDEEMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c(OC)c1	ZINC000189280477	442911579	/nfs/dbraw/zinc/91/15/79/442911579.db2.gz	BUQGZIRUNPVZSM-ZBFHGGJFSA-N	1	1	348.443	1.374	10	30		EDEEMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCNC(=O)[C@H]2C)c(OC)c1	ZINC000189280477	442911582	/nfs/dbraw/zinc/91/15/82/442911582.db2.gz	BUQGZIRUNPVZSM-ZBFHGGJFSA-N	1	1	348.443	1.374	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185817369	443262955	/nfs/dbraw/zinc/26/29/55/443262955.db2.gz	HMZIUDFQZKOZJA-AWEZNQCLSA-N	1	1	337.445	1.672	10	30		EDEEMO
C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)CC1	ZINC000175511213	526586451	/nfs/dbraw/zinc/58/64/51/526586451.db2.gz	CYKZFKLTBHKSDG-OAHLLOKOSA-N	1	1	348.451	1.237	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247404191	535605713	/nfs/dbraw/zinc/60/57/13/535605713.db2.gz	YVBNCWSQUQQLAI-CVEARBPZSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247404191	535605717	/nfs/dbraw/zinc/60/57/17/535605717.db2.gz	YVBNCWSQUQQLAI-CVEARBPZSA-N	1	1	344.459	1.928	10	30		EDEEMO
C[C@@H](O)CN1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)[C@@H]1C#N	ZINC000071682789	203103091	/nfs/dbraw/zinc/10/30/91/203103091.db2.gz	ZOEVCSZLBIYNME-DOMZBBRYSA-N	1	1	329.400	1.561	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000105826702	204165895	/nfs/dbraw/zinc/16/58/95/204165895.db2.gz	OIIJMOICAJTJDD-CRAIPNDOSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105826702	204165898	/nfs/dbraw/zinc/16/58/98/204165898.db2.gz	OIIJMOICAJTJDD-CRAIPNDOSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105826702	204165901	/nfs/dbraw/zinc/16/59/01/204165901.db2.gz	OIIJMOICAJTJDD-CRAIPNDOSA-N	1	1	344.459	1.664	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000246747609	139120083	/nfs/dbraw/zinc/12/00/83/139120083.db2.gz	BFJNJTDCOYVEEK-UKRRQHHQSA-N	1	1	331.416	1.791	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1	ZINC000136838094	441728275	/nfs/dbraw/zinc/72/82/75/441728275.db2.gz	SZTPEIPXHQKKGU-HNNXBMFYSA-N	1	1	349.406	1.758	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000150785926	441950888	/nfs/dbraw/zinc/95/08/88/441950888.db2.gz	CWMUXPDARPRVPA-BBRMVZONSA-N	1	1	328.416	1.650	10	30		EDEEMO
CCOCC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1CC	ZINC000165338966	442208112	/nfs/dbraw/zinc/20/81/12/442208112.db2.gz	WOXXHKLWXVHVDY-CQSZACIVSA-N	1	1	329.466	1.053	10	30		EDEEMO
CCOCC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1CC	ZINC000165338966	442208116	/nfs/dbraw/zinc/20/81/16/442208116.db2.gz	WOXXHKLWXVHVDY-CQSZACIVSA-N	1	1	329.466	1.053	10	30		EDEEMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cnc(C#N)cn2)CC1	ZINC000192241015	442621576	/nfs/dbraw/zinc/62/15/76/442621576.db2.gz	NECXTHZHSNNGBX-UHFFFAOYSA-N	1	1	345.447	1.981	10	30		EDEEMO
CC[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000247226753	442841757	/nfs/dbraw/zinc/84/17/57/442841757.db2.gz	QVPUQWRSSVWHMX-QAPCUYQASA-N	1	1	344.459	1.928	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000248649032	442912966	/nfs/dbraw/zinc/91/29/66/442912966.db2.gz	KIERMXLOKMCDNB-CABCVRRESA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000248649032	442912968	/nfs/dbraw/zinc/91/29/68/442912968.db2.gz	KIERMXLOKMCDNB-CABCVRRESA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000248649032	442912970	/nfs/dbraw/zinc/91/29/70/442912970.db2.gz	KIERMXLOKMCDNB-CABCVRRESA-N	1	1	334.489	1.343	10	30		EDEEMO
N=C(N)NN=Cc1ccc(Oc2ccc(C=NNC(N)=[NH2+])cc2)cc1	ZINC000584604674	448584074	/nfs/dbraw/zinc/58/40/74/448584074.db2.gz	DRTJGRCSPJIPPA-VGENTYGXSA-N	1	1	338.375	1.113	10	30		EDEEMO
N#Cc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)cc1	ZINC000616639583	450456996	/nfs/dbraw/zinc/45/69/96/450456996.db2.gz	RNJYXZBNTLZUPP-QGZVFWFLSA-N	1	1	327.409	1.893	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869685	527626897	/nfs/dbraw/zinc/62/68/97/527626897.db2.gz	UQEHRMFOMPVKID-QGZVFWFLSA-N	1	1	345.491	1.517	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2nncn2CC)CC1	ZINC000130292822	528692809	/nfs/dbraw/zinc/69/28/09/528692809.db2.gz	MYJRASTWHRIOKF-CQSZACIVSA-N	1	1	332.452	1.486	10	30		EDEEMO
Cn1cnnc1C[C@@]1(O)CCC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000888077195	590932060	/nfs/dbraw/zinc/93/20/60/590932060.db2.gz	RNQILCIAIRTKKJ-SFHVURJKSA-N	1	1	341.415	1.135	10	30		EDEEMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccn1)C2	ZINC000888094776	591024393	/nfs/dbraw/zinc/02/43/93/591024393.db2.gz	JMTWARXIMIFSHN-KONPQCLYSA-N	1	1	328.416	1.163	10	30		EDEEMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](Nc3nc(C)cc(C#N)n3)C2)[C@@H]1C(C)C	ZINC000888099370	591029103	/nfs/dbraw/zinc/02/91/03/591029103.db2.gz	WLTZAKCJXLUDNV-CBZIJGRNSA-N	1	1	329.448	1.938	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105823437	204166664	/nfs/dbraw/zinc/16/66/64/204166664.db2.gz	UJMGMUWZSIFKBP-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105823437	204166669	/nfs/dbraw/zinc/16/66/69/204166669.db2.gz	UJMGMUWZSIFKBP-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000105823437	204166673	/nfs/dbraw/zinc/16/66/73/204166673.db2.gz	UJMGMUWZSIFKBP-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000155679989	206026836	/nfs/dbraw/zinc/02/68/36/206026836.db2.gz	CGNXGSQHPIDOTQ-YVEFUNNKSA-N	1	1	344.459	1.641	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000246298142	139103019	/nfs/dbraw/zinc/10/30/19/139103019.db2.gz	CWMUXPDARPRVPA-CZUORRHYSA-N	1	1	328.416	1.650	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1C	ZINC000117279811	221042488	/nfs/dbraw/zinc/04/24/88/221042488.db2.gz	WXBNQDKVLISGOE-HZPDHXFCSA-N	1	1	345.443	1.895	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@H]1C	ZINC000117279811	221042489	/nfs/dbraw/zinc/04/24/89/221042489.db2.gz	WXBNQDKVLISGOE-HZPDHXFCSA-N	1	1	345.443	1.895	10	30		EDEEMO
C=CCC[C@@H](C[NH+]1CCN(C(C)=O)CC1)Oc1cccc(C#N)n1	ZINC000072476504	441232331	/nfs/dbraw/zinc/23/23/31/441232331.db2.gz	DIWSDVXBHOCGOR-KRWDZBQOSA-N	1	1	328.416	1.831	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105885452	441307159	/nfs/dbraw/zinc/30/71/59/441307159.db2.gz	VNEFWMMPLAZSMK-MRXNPFEDSA-N	1	1	332.452	1.369	10	30		EDEEMO
C=C[C@](C)(CC)C(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000135024673	442547859	/nfs/dbraw/zinc/54/78/59/442547859.db2.gz	VXBCNTSZBATQMB-PKOBYXMFSA-N	1	1	337.508	1.842	10	30		EDEEMO
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCCC#N)C1	ZINC000192939766	442699722	/nfs/dbraw/zinc/69/97/22/442699722.db2.gz	VCHGZLOXAXAQQT-INIZCTEOSA-N	1	1	336.461	1.469	10	30		EDEEMO
C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)CC1	ZINC000181722251	442712510	/nfs/dbraw/zinc/71/25/10/442712510.db2.gz	ZTCSZXOMCXQZDP-NVXWUHKLSA-N	1	1	338.496	1.123	10	30		EDEEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000246765505	442811706	/nfs/dbraw/zinc/81/17/06/442811706.db2.gz	PBHHXAQDGZEFCH-GJZGRUSLSA-N	1	1	347.484	1.705	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000246765505	442811709	/nfs/dbraw/zinc/81/17/09/442811709.db2.gz	PBHHXAQDGZEFCH-GJZGRUSLSA-N	1	1	347.484	1.705	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)s1	ZINC000182737777	442816673	/nfs/dbraw/zinc/81/66/73/442816673.db2.gz	LHJDQHUXPZGMRO-OLZOCXBDSA-N	1	1	338.477	1.658	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)s1	ZINC000182737777	442816679	/nfs/dbraw/zinc/81/66/79/442816679.db2.gz	LHJDQHUXPZGMRO-OLZOCXBDSA-N	1	1	338.477	1.658	10	30		EDEEMO
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000246986253	442825798	/nfs/dbraw/zinc/82/57/98/442825798.db2.gz	UVQOIOJAWZORQO-GOEBONIOSA-N	1	1	331.416	1.241	10	30		EDEEMO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000248449030	442893731	/nfs/dbraw/zinc/89/37/31/442893731.db2.gz	HVGGALPMOAPLOH-WMLDXEAASA-N	1	1	330.432	1.545	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C	ZINC000173675390	533704397	/nfs/dbraw/zinc/70/43/97/533704397.db2.gz	ANMXGYFORIWKLP-ZIAGYGMSSA-N	1	1	341.415	1.495	10	30		EDEEMO
C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105802670	527605111	/nfs/dbraw/zinc/60/51/11/527605111.db2.gz	SFEUFFMZHAWWLD-MRXNPFEDSA-N	1	1	329.448	1.578	10	30		EDEEMO
CCOCCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000247175724	535603382	/nfs/dbraw/zinc/60/33/82/535603382.db2.gz	NETXBKZHHBACBG-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000247175724	535603393	/nfs/dbraw/zinc/60/33/93/535603393.db2.gz	NETXBKZHHBACBG-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000247175724	535603395	/nfs/dbraw/zinc/60/33/95/535603395.db2.gz	NETXBKZHHBACBG-MRXNPFEDSA-N	1	1	344.459	1.929	10	30		EDEEMO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC[C@H]1CCCN1C	ZINC000262446769	249320547	/nfs/dbraw/zinc/32/05/47/249320547.db2.gz	IYSXEWFVRRLOMX-MNOVXSKESA-N	1	1	330.885	1.694	10	30		EDEEMO
C=CCCOCCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000122654599	222131347	/nfs/dbraw/zinc/13/13/47/222131347.db2.gz	GTNLBRXSZHGKED-SFHVURJKSA-N	1	1	347.459	1.640	10	30		EDEEMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105884724	441306633	/nfs/dbraw/zinc/30/66/33/441306633.db2.gz	SBJKNNHONRENSJ-QGZVFWFLSA-N	1	1	331.464	1.808	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1C	ZINC000175982359	442156805	/nfs/dbraw/zinc/15/68/05/442156805.db2.gz	QAGUVKNJVXLSMV-OAHLLOKOSA-N	1	1	346.431	1.299	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H]1C	ZINC000175982359	442156810	/nfs/dbraw/zinc/15/68/10/442156810.db2.gz	QAGUVKNJVXLSMV-OAHLLOKOSA-N	1	1	346.431	1.299	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128668062	442280947	/nfs/dbraw/zinc/28/09/47/442280947.db2.gz	LAGCKZVLSNMJRO-GDBMZVCRSA-N	1	1	333.457	1.500	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000180832385	442664145	/nfs/dbraw/zinc/66/41/45/442664145.db2.gz	CBSVOTUUIVLDMO-IAGOWNOFSA-N	1	1	347.484	1.891	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C[C@@H](C)O	ZINC000181719349	442712544	/nfs/dbraw/zinc/71/25/44/442712544.db2.gz	CCRHYWVUETZLAV-CJNGLKHVSA-N	1	1	348.422	1.684	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)s1	ZINC000182737759	442816097	/nfs/dbraw/zinc/81/60/97/442816097.db2.gz	LHJDQHUXPZGMRO-CHWSQXEVSA-N	1	1	338.477	1.658	10	30		EDEEMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)s1	ZINC000182737759	442816101	/nfs/dbraw/zinc/81/61/01/442816101.db2.gz	LHJDQHUXPZGMRO-CHWSQXEVSA-N	1	1	338.477	1.658	10	30		EDEEMO
C#CCNC(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195258951	443002258	/nfs/dbraw/zinc/00/22/58/443002258.db2.gz	KIERMXLOKMCDNB-GJZGRUSLSA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195258951	443002259	/nfs/dbraw/zinc/00/22/59/443002259.db2.gz	KIERMXLOKMCDNB-GJZGRUSLSA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195258951	443002264	/nfs/dbraw/zinc/00/22/64/443002264.db2.gz	KIERMXLOKMCDNB-GJZGRUSLSA-N	1	1	334.489	1.343	10	30		EDEEMO
C#CCSCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000190717317	443169739	/nfs/dbraw/zinc/16/97/39/443169739.db2.gz	COEHBRSSFOPRAZ-QGZVFWFLSA-N	1	1	346.500	1.911	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000247212837	535604811	/nfs/dbraw/zinc/60/48/11/535604811.db2.gz	PVZUAXIEGLYHPA-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000247212837	535604813	/nfs/dbraw/zinc/60/48/13/535604813.db2.gz	PVZUAXIEGLYHPA-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000105826704	441281386	/nfs/dbraw/zinc/28/13/86/441281386.db2.gz	OIIJMOICAJTJDD-QAPCUYQASA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105826704	441281392	/nfs/dbraw/zinc/28/13/92/441281392.db2.gz	OIIJMOICAJTJDD-QAPCUYQASA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105826704	441281393	/nfs/dbraw/zinc/28/13/93/441281393.db2.gz	OIIJMOICAJTJDD-QAPCUYQASA-N	1	1	344.459	1.664	10	30		EDEEMO
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C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000175663466	442101852	/nfs/dbraw/zinc/10/18/52/442101852.db2.gz	XQDARPHKKZIFLX-WMLDXEAASA-N	1	1	328.416	1.420	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000176894658	442268651	/nfs/dbraw/zinc/26/86/51/442268651.db2.gz	IWOCHALPAOPRBJ-OAHLLOKOSA-N	1	1	328.416	1.748	10	30		EDEEMO
COCC[N@@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C	ZINC000177054417	442291797	/nfs/dbraw/zinc/29/17/97/442291797.db2.gz	TZAVDMXDXYWQRG-PBHICJAKSA-N	1	1	331.416	1.425	10	30		EDEEMO
COCC[N@H+]1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C	ZINC000177054417	442291799	/nfs/dbraw/zinc/29/17/99/442291799.db2.gz	TZAVDMXDXYWQRG-PBHICJAKSA-N	1	1	331.416	1.425	10	30		EDEEMO
CC[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C[C@H](C)O	ZINC000245798118	535865517	/nfs/dbraw/zinc/86/55/17/535865517.db2.gz	XKDAEONVXZXGFV-GOEBONIOSA-N	1	1	327.432	1.483	10	30		EDEEMO
N#Cc1ccc(C[N@H+]2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1	ZINC000818187306	593679805	/nfs/dbraw/zinc/67/98/05/593679805.db2.gz	FZMKQMIZWMLPIB-KRWDZBQOSA-N	1	1	328.372	1.981	10	30		EDEEMO
N#Cc1ccc(C[N@@H+]2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)o1	ZINC000818187306	593679806	/nfs/dbraw/zinc/67/98/06/593679806.db2.gz	FZMKQMIZWMLPIB-KRWDZBQOSA-N	1	1	328.372	1.981	10	30		EDEEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1	ZINC000177973915	232046335	/nfs/dbraw/zinc/04/63/35/232046335.db2.gz	AXOBZHODGOHINL-MRXNPFEDSA-N	1	1	337.383	1.693	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1	ZINC000072422875	216211864	/nfs/dbraw/zinc/21/18/64/216211864.db2.gz	UPODMYLXRFKFCP-HNNXBMFYSA-N	1	1	349.479	1.585	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1	ZINC000072422875	216211865	/nfs/dbraw/zinc/21/18/65/216211865.db2.gz	UPODMYLXRFKFCP-HNNXBMFYSA-N	1	1	349.479	1.585	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1nccc(N(C)CC)n1	ZINC000072431267	216224052	/nfs/dbraw/zinc/22/40/52/216224052.db2.gz	OXXNUDJQALTZPP-OAHLLOKOSA-N	1	1	349.479	1.666	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1nccc(N(C)CC)n1	ZINC000072431267	216224053	/nfs/dbraw/zinc/22/40/53/216224053.db2.gz	OXXNUDJQALTZPP-OAHLLOKOSA-N	1	1	349.479	1.666	10	30		EDEEMO
[NH2+]=C(NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1)N1CCCC1	ZINC000196053374	241035870	/nfs/dbraw/zinc/03/58/70/241035870.db2.gz	RTXAUZULUIECPD-UHFFFAOYSA-N	1	1	347.422	1.827	10	30		EDEEMO
Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000247220457	139141203	/nfs/dbraw/zinc/14/12/03/139141203.db2.gz	YMNJTZFUMQYELB-ZWKOTPCHSA-N	1	1	340.427	1.968	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000249193147	139188969	/nfs/dbraw/zinc/18/89/69/139188969.db2.gz	PPRMQGFJIGCVKU-HOTGVXAUSA-N	1	1	340.427	1.890	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000117292644	221045503	/nfs/dbraw/zinc/04/55/03/221045503.db2.gz	JXDKGHOKHLHODN-HNNXBMFYSA-N	1	1	347.484	1.971	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000117292644	221045506	/nfs/dbraw/zinc/04/55/06/221045506.db2.gz	JXDKGHOKHLHODN-HNNXBMFYSA-N	1	1	347.484	1.971	10	30		EDEEMO
N#Cc1ccc(OC2CN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1	ZINC000329673459	268167929	/nfs/dbraw/zinc/16/79/29/268167929.db2.gz	SVXKLHAJAVYYKM-CQSZACIVSA-N	1	1	326.400	1.772	10	30		EDEEMO
C#CCOc1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000120493343	442082626	/nfs/dbraw/zinc/08/26/26/442082626.db2.gz	IVKUBPASYWXIMC-UHFFFAOYSA-N	1	1	348.410	1.459	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177680007	442369685	/nfs/dbraw/zinc/36/96/85/442369685.db2.gz	YDSIJXVAXKHCKQ-CQSZACIVSA-N	1	1	345.374	1.083	10	30		EDEEMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177689281	442371541	/nfs/dbraw/zinc/37/15/41/442371541.db2.gz	DNVUJMMLMTZTFT-CQSZACIVSA-N	1	1	342.399	1.202	10	30		EDEEMO
Cn1nccc1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000195504052	443025429	/nfs/dbraw/zinc/02/54/29/443025429.db2.gz	KVUJFEPVTQJAIZ-UHFFFAOYSA-N	1	1	328.420	1.255	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000190353220	443090870	/nfs/dbraw/zinc/09/08/70/443090870.db2.gz	IGEAIGDJNRTTBP-HUUCEWRRSA-N	1	1	344.390	1.721	10	30		EDEEMO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000184821755	443081483	/nfs/dbraw/zinc/08/14/83/443081483.db2.gz	HVGGALPMOAPLOH-RHSMWYFYSA-N	1	1	330.432	1.545	10	30		EDEEMO
CC(C)n1cc([C@@]2(O)CC[N@@H+](CCOc3ccc(C#N)cc3)C2)nn1	ZINC000583618477	448447558	/nfs/dbraw/zinc/44/75/58/448447558.db2.gz	ZUDLZDLIXSOWEA-GOSISDBHSA-N	1	1	341.415	1.703	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000174356191	237279991	/nfs/dbraw/zinc/27/99/91/237279991.db2.gz	PJDUFXRCBWFRQN-LSDHHAIUSA-N	1	1	331.416	1.045	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000252321637	139204188	/nfs/dbraw/zinc/20/41/88/139204188.db2.gz	UJMGMUWZSIFKBP-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000252321637	139204189	/nfs/dbraw/zinc/20/41/89/139204189.db2.gz	UJMGMUWZSIFKBP-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C	ZINC000252321637	139204190	/nfs/dbraw/zinc/20/41/90/139204190.db2.gz	UJMGMUWZSIFKBP-GJZGRUSLSA-N	1	1	330.432	1.274	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1	ZINC000105799515	441274021	/nfs/dbraw/zinc/27/40/21/441274021.db2.gz	JUTXJJCTEPQZFI-INIZCTEOSA-N	1	1	329.448	1.578	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000105824924	441280615	/nfs/dbraw/zinc/28/06/15/441280615.db2.gz	VVABYKFYQKKSHT-HLLBOEOZSA-N	1	1	344.459	1.662	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C	ZINC000113231981	441590420	/nfs/dbraw/zinc/59/04/20/441590420.db2.gz	BERJQEGYDOCLJW-UKRRQHHQSA-N	1	1	329.400	1.641	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1CC	ZINC000120151622	442017298	/nfs/dbraw/zinc/01/72/98/442017298.db2.gz	RXIVDHIJXDCODF-HNNXBMFYSA-N	1	1	348.451	1.761	10	30		EDEEMO
N#CCOc1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1	ZINC000171684170	442370101	/nfs/dbraw/zinc/37/01/01/442370101.db2.gz	XPIPTQHHIHMRIJ-INIZCTEOSA-N	1	1	328.416	1.969	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249537429	442984277	/nfs/dbraw/zinc/98/42/77/442984277.db2.gz	CWJLCOVPIQKNNQ-VNQPRFMTSA-N	1	1	335.473	1.764	10	30		EDEEMO
CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O	ZINC000246717882	139118575	/nfs/dbraw/zinc/11/85/75/139118575.db2.gz	DJPWFJJHTGGAGZ-HOCLYGCPSA-N	1	1	347.484	1.954	10	30		EDEEMO
CC[C@H]1CN(C(=O)CSc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000246717882	139118576	/nfs/dbraw/zinc/11/85/76/139118576.db2.gz	DJPWFJJHTGGAGZ-HOCLYGCPSA-N	1	1	347.484	1.954	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000252321636	139204373	/nfs/dbraw/zinc/20/43/73/139204373.db2.gz	UJMGMUWZSIFKBP-CABCVRRESA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000252321636	139204374	/nfs/dbraw/zinc/20/43/74/139204374.db2.gz	UJMGMUWZSIFKBP-CABCVRRESA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C	ZINC000252321636	139204375	/nfs/dbraw/zinc/20/43/75/139204375.db2.gz	UJMGMUWZSIFKBP-CABCVRRESA-N	1	1	330.432	1.274	10	30		EDEEMO
CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000077170042	441727284	/nfs/dbraw/zinc/72/72/84/441727284.db2.gz	DUGLHLFRAHGNQY-VOLNDZDFSA-N	1	1	348.491	1.906	10	30		EDEEMO
CC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000077170042	441727288	/nfs/dbraw/zinc/72/72/88/441727288.db2.gz	DUGLHLFRAHGNQY-VOLNDZDFSA-N	1	1	348.491	1.906	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1C	ZINC000247224571	442841967	/nfs/dbraw/zinc/84/19/67/442841967.db2.gz	VUZAXZCAVGERNS-CABCVRRESA-N	1	1	331.416	1.505	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@H]1C	ZINC000247224571	442841971	/nfs/dbraw/zinc/84/19/71/442841971.db2.gz	VUZAXZCAVGERNS-CABCVRRESA-N	1	1	331.416	1.505	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000190353237	443090665	/nfs/dbraw/zinc/09/06/65/443090665.db2.gz	IGEAIGDJNRTTBP-LSDHHAIUSA-N	1	1	344.390	1.721	10	30		EDEEMO
N#Cc1cccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)c1	ZINC000616605124	450455322	/nfs/dbraw/zinc/45/53/22/450455322.db2.gz	SRNWSYCONWUUBF-KRWDZBQOSA-N	1	1	327.409	1.893	10	30		EDEEMO
C[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173879539	533836938	/nfs/dbraw/zinc/83/69/38/533836938.db2.gz	KYJRRDSSTDNVFG-YJBOKZPZSA-N	1	1	343.427	1.311	10	30		EDEEMO
CC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000168572202	527745103	/nfs/dbraw/zinc/74/51/03/527745103.db2.gz	WXPVZAHRAPQSTD-NSHDSACASA-N	1	1	327.837	1.832	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1	ZINC000072422876	216211127	/nfs/dbraw/zinc/21/11/27/216211127.db2.gz	UPODMYLXRFKFCP-OAHLLOKOSA-N	1	1	349.479	1.585	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1ncc(C)c(N(C)C)n1	ZINC000072422876	216211130	/nfs/dbraw/zinc/21/11/30/216211130.db2.gz	UPODMYLXRFKFCP-OAHLLOKOSA-N	1	1	349.479	1.585	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247193636	139139644	/nfs/dbraw/zinc/13/96/44/139139644.db2.gz	OIIJMOICAJTJDD-YJBOKZPZSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000247193636	139139645	/nfs/dbraw/zinc/13/96/45/139139645.db2.gz	OIIJMOICAJTJDD-YJBOKZPZSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000247193636	139139646	/nfs/dbraw/zinc/13/96/46/139139646.db2.gz	OIIJMOICAJTJDD-YJBOKZPZSA-N	1	1	344.459	1.664	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000252443604	139204582	/nfs/dbraw/zinc/20/45/82/139204582.db2.gz	DAWFSROTCWASNB-RISCZKNCSA-N	1	1	346.818	1.845	10	30		EDEEMO
CCOCC[N@@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1CC	ZINC000116898951	221008428	/nfs/dbraw/zinc/00/84/28/221008428.db2.gz	RFRCRPRXOLCZEO-HNNXBMFYSA-N	1	1	331.482	1.443	10	30		EDEEMO
CCOCC[N@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@@H]1CC	ZINC000116898951	221008429	/nfs/dbraw/zinc/00/84/29/221008429.db2.gz	RFRCRPRXOLCZEO-HNNXBMFYSA-N	1	1	331.482	1.443	10	30		EDEEMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105884725	441307415	/nfs/dbraw/zinc/30/74/15/441307415.db2.gz	SBJKNNHONRENSJ-KRWDZBQOSA-N	1	1	331.464	1.808	10	30		EDEEMO
C=CCNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)nc1	ZINC000174733182	441960985	/nfs/dbraw/zinc/96/09/85/441960985.db2.gz	PNEUFOMOKGLWMO-GDBMZVCRSA-N	1	1	332.448	1.279	10	30		EDEEMO
C=CCNC(=O)c1ccc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nc1	ZINC000174737187	441962868	/nfs/dbraw/zinc/96/28/68/441962868.db2.gz	FIBGHIRRXZEMEO-INIZCTEOSA-N	1	1	332.448	1.544	10	30		EDEEMO
CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000161334018	441987573	/nfs/dbraw/zinc/98/75/73/441987573.db2.gz	YRYAMSSYUUJBEJ-OAHLLOKOSA-N	1	1	344.463	1.820	10	30		EDEEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000161334018	441987579	/nfs/dbraw/zinc/98/75/79/441987579.db2.gz	YRYAMSSYUUJBEJ-OAHLLOKOSA-N	1	1	344.463	1.820	10	30		EDEEMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000152517247	442221567	/nfs/dbraw/zinc/22/15/67/442221567.db2.gz	DGFKLPIXTCHYKR-INIZCTEOSA-N	1	1	327.388	1.191	10	30		EDEEMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2cccnc2)C1	ZINC000152517247	442221569	/nfs/dbraw/zinc/22/15/69/442221569.db2.gz	DGFKLPIXTCHYKR-INIZCTEOSA-N	1	1	327.388	1.191	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177253395	442320161	/nfs/dbraw/zinc/32/01/61/442320161.db2.gz	ARFQKWIKBJDLSL-APWZRJJASA-N	1	1	329.444	1.980	10	30		EDEEMO
CN(C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1)C1(C#N)CCCCC1	ZINC000171704985	442371923	/nfs/dbraw/zinc/37/19/23/442371923.db2.gz	GPWOOLPKVDEFCG-HNNXBMFYSA-N	1	1	330.436	1.600	10	30		EDEEMO
CN(C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)C1(C#N)CCCCC1	ZINC000171704985	442371924	/nfs/dbraw/zinc/37/19/24/442371924.db2.gz	GPWOOLPKVDEFCG-HNNXBMFYSA-N	1	1	330.436	1.600	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000180051304	442534064	/nfs/dbraw/zinc/53/40/64/442534064.db2.gz	YJSRZPQKBZOMFM-HUUCEWRRSA-N	1	1	346.431	1.898	10	30		EDEEMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000192630233	442670233	/nfs/dbraw/zinc/67/02/33/442670233.db2.gz	ZNZMFNKGNSHKSX-INIZCTEOSA-N	1	1	349.390	1.647	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000190089656	443056499	/nfs/dbraw/zinc/05/64/99/443056499.db2.gz	NMJIGWITUVVZDH-BXUZGUMPSA-N	1	1	330.363	1.331	10	30		EDEEMO
CCn1cc(O[C@@H]2C[N@@H+](CCOc3ccccc3C#N)C[C@H]2O)cn1	ZINC000599502226	450026395	/nfs/dbraw/zinc/02/63/95/450026395.db2.gz	WXFNOISZFYDEOA-SJLPKXTDSA-N	1	1	342.399	1.278	10	30		EDEEMO
N#Cc1cccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2)c1	ZINC000616639951	450456897	/nfs/dbraw/zinc/45/68/97/450456897.db2.gz	SRNWSYCONWUUBF-QGZVFWFLSA-N	1	1	327.409	1.893	10	30		EDEEMO
CC[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174621824	529268760	/nfs/dbraw/zinc/26/87/60/529268760.db2.gz	LMKNUAKHYUTPBJ-QAPCUYQASA-N	1	1	329.444	1.794	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000888077213	590932250	/nfs/dbraw/zinc/93/22/50/590932250.db2.gz	SOINCCUCBNQUDE-GOSISDBHSA-N	1	1	341.415	1.135	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000173726431	529408490	/nfs/dbraw/zinc/40/84/90/529408490.db2.gz	RKYBNGGWUGYDIP-ZIAGYGMSSA-N	1	1	337.420	1.945	10	30		EDEEMO
N#Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1Cl	ZINC000195045631	139005543	/nfs/dbraw/zinc/00/55/43/139005543.db2.gz	NAPRHTQXNAMCJG-AWEZNQCLSA-N	1	1	346.818	1.847	10	30		EDEEMO
N#Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Cl	ZINC000195045631	139005544	/nfs/dbraw/zinc/00/55/44/139005544.db2.gz	NAPRHTQXNAMCJG-AWEZNQCLSA-N	1	1	346.818	1.847	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195319074	139013906	/nfs/dbraw/zinc/01/39/06/139013906.db2.gz	MLKQQHAJGBXDRX-CQSZACIVSA-N	1	1	328.416	1.103	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000246956135	139128438	/nfs/dbraw/zinc/12/84/38/139128438.db2.gz	BMPMWHVCJWAKBR-RDJZCZTQSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246956135	139128439	/nfs/dbraw/zinc/12/84/39/139128439.db2.gz	BMPMWHVCJWAKBR-RDJZCZTQSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246956135	139128440	/nfs/dbraw/zinc/12/84/40/139128440.db2.gz	BMPMWHVCJWAKBR-RDJZCZTQSA-N	1	1	344.459	1.664	10	30		EDEEMO
C=CCCOCCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000122654859	222131879	/nfs/dbraw/zinc/13/18/79/222131879.db2.gz	GTNLBRXSZHGKED-GOSISDBHSA-N	1	1	347.459	1.640	10	30		EDEEMO
C=CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@@H](O)[C@H]3O5	ZINC000044963902	440926834	/nfs/dbraw/zinc/92/68/34/440926834.db2.gz	HMWHERQFMBEHNG-XABSUIGJSA-N	1	1	329.396	1.093	10	30		EDEEMO
C=CCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@@H]3O5	ZINC000077285031	441747310	/nfs/dbraw/zinc/74/73/10/441747310.db2.gz	AGAIYDYACAKVRE-XFWGSAIBSA-N	1	1	341.407	1.692	10	30	in-vitro	EDEEMO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000175663429	442102058	/nfs/dbraw/zinc/10/20/58/442102058.db2.gz	XQDARPHKKZIFLX-YOEHRIQHSA-N	1	1	328.416	1.420	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128656397	442279884	/nfs/dbraw/zinc/27/98/84/442279884.db2.gz	DBBZDBIWEBUJSE-MRXNPFEDSA-N	1	1	335.473	1.748	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192738796	442682154	/nfs/dbraw/zinc/68/21/54/442682154.db2.gz	HLOIHINYTJNCGY-AWEZNQCLSA-N	1	1	345.447	1.654	10	30		EDEEMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000248616568	442908018	/nfs/dbraw/zinc/90/80/18/442908018.db2.gz	AQCMZZDEISJAOW-CABCVRRESA-N	1	1	348.443	1.787	10	30		EDEEMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000248616568	442908019	/nfs/dbraw/zinc/90/80/19/442908019.db2.gz	AQCMZZDEISJAOW-CABCVRRESA-N	1	1	348.443	1.787	10	30		EDEEMO
C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000248632618	442911132	/nfs/dbraw/zinc/91/11/32/442911132.db2.gz	RUAXALIUSQQAHI-QZTJIDSGSA-N	1	1	337.508	1.842	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C	ZINC000106100038	527296228	/nfs/dbraw/zinc/29/62/28/527296228.db2.gz	XKINDCJWEZFKDS-HZPDHXFCSA-N	1	1	333.476	1.861	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1C	ZINC000106100038	527296230	/nfs/dbraw/zinc/29/62/30/527296230.db2.gz	XKINDCJWEZFKDS-HZPDHXFCSA-N	1	1	333.476	1.861	10	30		EDEEMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)o2)cc1	ZINC000173921557	231072365	/nfs/dbraw/zinc/07/23/65/231072365.db2.gz	ZLJRGWDOMLMSOK-MRXNPFEDSA-N	1	1	339.399	1.515	10	30		EDEEMO
N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)o2)cc1	ZINC000173921557	231072369	/nfs/dbraw/zinc/07/23/69/231072369.db2.gz	ZLJRGWDOMLMSOK-MRXNPFEDSA-N	1	1	339.399	1.515	10	30		EDEEMO
C=CCNc1[nH+]cnc(N2CCN(c3ccc(OC)cc3)CC2)c1N	ZINC000040708844	213372892	/nfs/dbraw/zinc/37/28/92/213372892.db2.gz	OMRQNPLKXJGTKL-UHFFFAOYSA-N	1	1	340.431	1.992	10	30		EDEEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000105896095	237073299	/nfs/dbraw/zinc/07/32/99/237073299.db2.gz	XWSWLQXKSGJHAE-INIZCTEOSA-N	1	1	342.447	1.830	10	30		EDEEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000105896095	237073308	/nfs/dbraw/zinc/07/33/08/237073308.db2.gz	XWSWLQXKSGJHAE-INIZCTEOSA-N	1	1	342.447	1.830	10	30		EDEEMO
CC[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CC[N@H+]1C[C@H](C)O	ZINC000247087798	139135139	/nfs/dbraw/zinc/13/51/39/139135139.db2.gz	UFQHQNNSUAHSAO-DOTOQJQBSA-N	1	1	347.459	1.723	10	30		EDEEMO
CC[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000247112526	139136217	/nfs/dbraw/zinc/13/62/17/139136217.db2.gz	IZNNTKVGLUPFQJ-ZWKOTPCHSA-N	1	1	347.459	1.341	10	30		EDEEMO
CC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CCOC	ZINC000247112526	139136218	/nfs/dbraw/zinc/13/62/18/139136218.db2.gz	IZNNTKVGLUPFQJ-ZWKOTPCHSA-N	1	1	347.459	1.341	10	30		EDEEMO
CC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1CCOC	ZINC000247112526	139136219	/nfs/dbraw/zinc/13/62/19/139136219.db2.gz	IZNNTKVGLUPFQJ-ZWKOTPCHSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000261615542	278894199	/nfs/dbraw/zinc/89/41/99/278894199.db2.gz	AVUPZTFRGZVAPD-GFCCVEGCSA-N	1	1	327.837	1.974	10	30		EDEEMO
C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1N1CCOCC1	ZINC000177234341	442317386	/nfs/dbraw/zinc/31/73/86/442317386.db2.gz	UEMBBTQQSNUXEJ-ZFWWWQNUSA-N	1	1	348.472	1.601	10	30		EDEEMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000193106495	442713951	/nfs/dbraw/zinc/71/39/51/442713951.db2.gz	FCUVFIHZIVWDRW-AWEZNQCLSA-N	1	1	343.431	1.360	10	30		EDEEMO
CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000247190651	536159627	/nfs/dbraw/zinc/15/96/27/536159627.db2.gz	OCOLJYKFBZXRIJ-WBVHZDCISA-N	1	1	344.459	1.928	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000888076833	590933094	/nfs/dbraw/zinc/93/30/94/590933094.db2.gz	KZGXEEDFTNIXNS-QGZVFWFLSA-N	1	1	329.379	1.395	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000888076833	590933097	/nfs/dbraw/zinc/93/30/97/590933097.db2.gz	KZGXEEDFTNIXNS-QGZVFWFLSA-N	1	1	329.379	1.395	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1ncc(F)c(N(C)C)n1	ZINC000072428853	216221231	/nfs/dbraw/zinc/22/12/31/216221231.db2.gz	PJWUUDGYXSGLGG-AWEZNQCLSA-N	1	1	339.459	1.889	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1ncc(F)c(N(C)C)n1	ZINC000072428853	216221236	/nfs/dbraw/zinc/22/12/36/216221236.db2.gz	PJWUUDGYXSGLGG-AWEZNQCLSA-N	1	1	339.459	1.889	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C#N	ZINC000246376575	139105997	/nfs/dbraw/zinc/10/59/97/139105997.db2.gz	JMRSNVMUBFABAX-CJNGLKHVSA-N	1	1	328.416	1.650	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC	ZINC000246623727	249310723	/nfs/dbraw/zinc/31/07/23/249310723.db2.gz	DGHPMBVAHIVAMD-GJZGRUSLSA-N	1	1	348.443	1.787	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1OC	ZINC000246623727	249310725	/nfs/dbraw/zinc/31/07/25/249310725.db2.gz	DGHPMBVAHIVAMD-GJZGRUSLSA-N	1	1	348.443	1.787	10	30		EDEEMO
Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)nn1	ZINC000247076285	249313761	/nfs/dbraw/zinc/31/37/61/249313761.db2.gz	GTFHHQLANWKRSD-OAHLLOKOSA-N	1	1	330.436	1.058	10	30		EDEEMO
Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)nn1	ZINC000247076285	249313764	/nfs/dbraw/zinc/31/37/64/249313764.db2.gz	GTFHHQLANWKRSD-OAHLLOKOSA-N	1	1	330.436	1.058	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000247558060	249317716	/nfs/dbraw/zinc/31/77/16/249317716.db2.gz	QMSMWICGVGFECH-XIRDDKMYSA-N	1	1	345.443	1.975	10	30		EDEEMO
CS(=O)(=O)O[C@@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000074942345	278114947	/nfs/dbraw/zinc/11/49/47/278114947.db2.gz	GEBZPCVBXSAHLQ-CVEARBPZSA-N	1	1	325.430	1.786	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC	ZINC000105837771	441289980	/nfs/dbraw/zinc/28/99/80/441289980.db2.gz	BHBHWOMBCFHSOO-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000171602505	442361570	/nfs/dbraw/zinc/36/15/70/442361570.db2.gz	SGLYISDDYSBTCK-MRXNPFEDSA-N	1	1	338.415	1.891	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000172335926	442445787	/nfs/dbraw/zinc/44/57/87/442445787.db2.gz	HHYLZUFENVZQFA-ZDUSSCGKSA-N	1	1	334.395	1.559	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000172335926	442445790	/nfs/dbraw/zinc/44/57/90/442445790.db2.gz	HHYLZUFENVZQFA-ZDUSSCGKSA-N	1	1	334.395	1.559	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000247224593	442842235	/nfs/dbraw/zinc/84/22/35/442842235.db2.gz	VUZAXZCAVGERNS-GJZGRUSLSA-N	1	1	331.416	1.505	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000247224593	442842240	/nfs/dbraw/zinc/84/22/40/442842240.db2.gz	VUZAXZCAVGERNS-GJZGRUSLSA-N	1	1	331.416	1.505	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249537425	442983418	/nfs/dbraw/zinc/98/34/18/442983418.db2.gz	CWJLCOVPIQKNNQ-FVQBIDKESA-N	1	1	335.473	1.764	10	30		EDEEMO
CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000195287751	443005412	/nfs/dbraw/zinc/00/54/12/443005412.db2.gz	KXPDUUWGVPOBPJ-SFHVURJKSA-N	1	1	343.475	1.597	10	30		EDEEMO
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000195297672	443006300	/nfs/dbraw/zinc/00/63/00/443006300.db2.gz	CDSRWKZAMZEARX-FUHWJXTLSA-N	1	1	343.475	1.596	10	30		EDEEMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000195297672	443006303	/nfs/dbraw/zinc/00/63/03/443006303.db2.gz	CDSRWKZAMZEARX-FUHWJXTLSA-N	1	1	343.475	1.596	10	30		EDEEMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1	ZINC000195297672	443006304	/nfs/dbraw/zinc/00/63/04/443006304.db2.gz	CDSRWKZAMZEARX-FUHWJXTLSA-N	1	1	343.475	1.596	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1	ZINC000249862158	443006929	/nfs/dbraw/zinc/00/69/29/443006929.db2.gz	GLTGHODFHQNAAF-KBPBESRZSA-N	1	1	331.420	1.216	10	30		EDEEMO
C=CCNC(=O)CN1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1	ZINC000190360969	443092760	/nfs/dbraw/zinc/09/27/60/443092760.db2.gz	HFOIARIHEJMTGQ-UHFFFAOYSA-N	1	1	339.480	1.417	10	30		EDEEMO
C=CCNC(=O)C[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000190360969	443092764	/nfs/dbraw/zinc/09/27/64/443092764.db2.gz	HFOIARIHEJMTGQ-UHFFFAOYSA-N	1	1	339.480	1.417	10	30		EDEEMO
CCn1cc(O[C@@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]2O)cn1	ZINC000599501921	450026236	/nfs/dbraw/zinc/02/62/36/450026236.db2.gz	LOYGPKQBIWMLQO-SJLPKXTDSA-N	1	1	342.399	1.407	10	30		EDEEMO
CCn1cc(O[C@@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]2O)cn1	ZINC000599501921	450026243	/nfs/dbraw/zinc/02/62/43/450026243.db2.gz	LOYGPKQBIWMLQO-SJLPKXTDSA-N	1	1	342.399	1.407	10	30		EDEEMO
C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000173804623	534303108	/nfs/dbraw/zinc/30/31/08/534303108.db2.gz	IWZSBCNBNSYHIF-QAPCUYQASA-N	1	1	327.428	1.670	10	30		EDEEMO
CC(C)(C)C[N@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000171946436	527681097	/nfs/dbraw/zinc/68/10/97/527681097.db2.gz	BODDGHISZZCJQA-AWEZNQCLSA-N	1	1	343.427	1.905	10	30		EDEEMO
CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000171946436	527681102	/nfs/dbraw/zinc/68/11/02/527681102.db2.gz	BODDGHISZZCJQA-AWEZNQCLSA-N	1	1	343.427	1.905	10	30		EDEEMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccn1)C2	ZINC000888094778	591024117	/nfs/dbraw/zinc/02/41/17/591024117.db2.gz	JMTWARXIMIFSHN-XLMAVXFVSA-N	1	1	328.416	1.163	10	30		EDEEMO
C[NH+]1CCC(Oc2cccc3c2C(=O)N(C(C)(C)CO)[C@@H]3C#N)CC1	ZINC000071682810	215794961	/nfs/dbraw/zinc/79/49/61/215794961.db2.gz	LMEOEWHHIQXKCB-OAHLLOKOSA-N	1	1	343.427	1.951	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246620559	139115421	/nfs/dbraw/zinc/11/54/21/139115421.db2.gz	RYCJSIQDSONRHS-JQWIXIFHSA-N	1	1	341.383	1.694	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000246781771	139121473	/nfs/dbraw/zinc/12/14/73/139121473.db2.gz	BERJQEGYDOCLJW-HIFRSBDPSA-N	1	1	329.400	1.641	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000246995199	139130136	/nfs/dbraw/zinc/13/01/36/139130136.db2.gz	KLIFGXWAXMNDAM-SJORKVTESA-N	1	1	340.427	1.373	10	30		EDEEMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000076106915	441598099	/nfs/dbraw/zinc/59/80/99/441598099.db2.gz	VALWQFUHNZTQHI-CVEARBPZSA-N	1	1	331.416	1.586	10	30		EDEEMO
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000174640297	441947975	/nfs/dbraw/zinc/94/79/75/441947975.db2.gz	UVQOIOJAWZORQO-GDBMZVCRSA-N	1	1	331.416	1.241	10	30		EDEEMO
C[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1[NH+]1CCOCC1	ZINC000175764905	442118664	/nfs/dbraw/zinc/11/86/64/442118664.db2.gz	IGPLIMDFJAXPIP-GUYCJALGSA-N	1	1	346.406	1.559	10	30		EDEEMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246554908	442792587	/nfs/dbraw/zinc/79/25/87/442792587.db2.gz	UIDSTRKJQYUXCF-KEYYUXOJSA-N	1	1	331.416	1.159	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000248638577	442911031	/nfs/dbraw/zinc/91/10/31/442911031.db2.gz	QWEDJOHFCKISKD-STQMWFEESA-N	1	1	334.395	1.294	10	30		EDEEMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195327964	443010504	/nfs/dbraw/zinc/01/05/04/443010504.db2.gz	OJOFWNWGAJVSGM-INIZCTEOSA-N	1	1	329.448	1.653	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000190081849	443055078	/nfs/dbraw/zinc/05/50/78/443055078.db2.gz	CJQIBYFHEXYKTI-DGCLKSJQSA-N	1	1	330.363	1.331	10	30		EDEEMO
C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2ncccc2C#N)CC1	ZINC000328623207	444398116	/nfs/dbraw/zinc/39/81/16/444398116.db2.gz	BSOWHUBEIZSFNO-OAHLLOKOSA-N	1	1	337.431	1.816	10	30		EDEEMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1	ZINC000181183686	528378307	/nfs/dbraw/zinc/37/83/07/528378307.db2.gz	UXZVLDZOMFBBDE-HNNXBMFYSA-N	1	1	346.431	1.877	10	30		EDEEMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000248657892	536885550	/nfs/dbraw/zinc/88/55/50/536885550.db2.gz	XPWZFPFKIREAHV-GXTWGEPZSA-N	1	1	337.445	1.574	10	30		EDEEMO
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(C#N)nc1)C2	ZINC000888094598	591024675	/nfs/dbraw/zinc/02/46/75/591024675.db2.gz	FCHQWCLIFZJZIT-FPAYPSAMSA-N	1	1	342.443	1.092	10	30		EDEEMO
CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C[C@H](C)O	ZINC000245798120	139086316	/nfs/dbraw/zinc/08/63/16/139086316.db2.gz	XKDAEONVXZXGFV-HOCLYGCPSA-N	1	1	327.432	1.483	10	30		EDEEMO
C=CCC[C@H](O)C[NH+]1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000245969711	249305134	/nfs/dbraw/zinc/30/51/34/249305134.db2.gz	AATYRBHHTCCPGH-ROUUACIJSA-N	1	1	325.497	1.040	10	30		EDEEMO
C[NH+]=C(NC[C@@H]1CCOC1)NCC1(N2CCSCC2)CCCC1	ZINC000262857845	249324531	/nfs/dbraw/zinc/32/45/31/249324531.db2.gz	YKYJBBUVLIEFPR-HNNXBMFYSA-N	1	1	340.537	1.550	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000247398776	139147433	/nfs/dbraw/zinc/14/74/33/139147433.db2.gz	QXQYWSMMJPTYLX-RHSMWYFYSA-N	1	1	330.432	1.965	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000105845591	441292235	/nfs/dbraw/zinc/29/22/35/441292235.db2.gz	MMHOPPZODTWAPM-HXUWFJFHSA-N	1	1	342.487	1.785	10	30		EDEEMO
C#CCSCCNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000121426242	441703812	/nfs/dbraw/zinc/70/38/12/441703812.db2.gz	ZVNJOBVGQRVBAF-KRWDZBQOSA-N	1	1	347.484	1.071	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl	ZINC000177401689	442336895	/nfs/dbraw/zinc/33/68/95/442336895.db2.gz	UVMYBJAQJSTYAZ-CQSZACIVSA-N	1	1	346.818	1.847	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Cl	ZINC000177401689	442336898	/nfs/dbraw/zinc/33/68/98/442336898.db2.gz	UVMYBJAQJSTYAZ-CQSZACIVSA-N	1	1	346.818	1.847	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000178515161	442440525	/nfs/dbraw/zinc/44/05/25/442440525.db2.gz	SIPPYVZAPDIOGZ-HNNXBMFYSA-N	1	1	326.400	1.502	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000178515161	442440527	/nfs/dbraw/zinc/44/05/27/442440527.db2.gz	SIPPYVZAPDIOGZ-HNNXBMFYSA-N	1	1	326.400	1.502	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000172334796	442445879	/nfs/dbraw/zinc/44/58/79/442445879.db2.gz	VDRLQRVRLLTOOD-OAHLLOKOSA-N	1	1	346.431	1.451	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000172334796	442445881	/nfs/dbraw/zinc/44/58/81/442445881.db2.gz	VDRLQRVRLLTOOD-OAHLLOKOSA-N	1	1	346.431	1.451	10	30		EDEEMO
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1C[C@@H](C)O	ZINC000181719331	442712433	/nfs/dbraw/zinc/71/24/33/442712433.db2.gz	CCRHYWVUETZLAV-CZUORRHYSA-N	1	1	348.422	1.684	10	30		EDEEMO
CCCCOC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000248643649	442912320	/nfs/dbraw/zinc/91/23/20/442912320.db2.gz	DULPOMCDWMFWTC-CABCVRRESA-N	1	1	333.436	1.036	10	30		EDEEMO
CCCCOC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000248643649	442912324	/nfs/dbraw/zinc/91/23/24/442912324.db2.gz	DULPOMCDWMFWTC-CABCVRRESA-N	1	1	333.436	1.036	10	30		EDEEMO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1	ZINC000184601456	443047438	/nfs/dbraw/zinc/04/74/38/443047438.db2.gz	SFMOPFRBPLQRKI-OAHLLOKOSA-N	1	1	337.387	1.451	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000190089675	443055723	/nfs/dbraw/zinc/05/57/23/443055723.db2.gz	NMJIGWITUVVZDH-SMDDNHRTSA-N	1	1	330.363	1.331	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190093065	443056084	/nfs/dbraw/zinc/05/60/84/443056084.db2.gz	ZKJMVVNTZBSBPC-DZGCQCFKSA-N	1	1	326.400	1.500	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](CCOCC)[C@H](C)C1	ZINC000105835241	526541477	/nfs/dbraw/zinc/54/14/77/526541477.db2.gz	ZUOIBALNOGEMBH-SJORKVTESA-N	1	1	325.497	1.842	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000105835241	526541481	/nfs/dbraw/zinc/54/14/81/526541481.db2.gz	ZUOIBALNOGEMBH-SJORKVTESA-N	1	1	325.497	1.842	10	30		EDEEMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CCCO1	ZINC000036099790	540122215	/nfs/dbraw/zinc/12/22/15/540122215.db2.gz	JUPFJRSWWAVBGL-IRXDYDNUSA-N	1	1	339.382	1.957	10	30		EDEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CCCO1	ZINC000036099790	540122218	/nfs/dbraw/zinc/12/22/18/540122218.db2.gz	JUPFJRSWWAVBGL-IRXDYDNUSA-N	1	1	339.382	1.957	10	30		EDEEMO
C[C@H](O)C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C	ZINC000246942146	139127943	/nfs/dbraw/zinc/12/79/43/139127943.db2.gz	ANMXGYFORIWKLP-KBPBESRZSA-N	1	1	341.415	1.495	10	30		EDEEMO
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[N@@H+]1CCOC	ZINC000117307487	221050662	/nfs/dbraw/zinc/05/06/62/221050662.db2.gz	YLUZOPFETLJPPZ-MRXNPFEDSA-N	1	1	331.416	1.506	10	30		EDEEMO
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000117307487	221050664	/nfs/dbraw/zinc/05/06/64/221050664.db2.gz	YLUZOPFETLJPPZ-MRXNPFEDSA-N	1	1	331.416	1.506	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000105834423	441287697	/nfs/dbraw/zinc/28/76/97/441287697.db2.gz	YVBNCWSQUQQLAI-HOTGVXAUSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000105834423	441287700	/nfs/dbraw/zinc/28/77/00/441287700.db2.gz	YVBNCWSQUQQLAI-HOTGVXAUSA-N	1	1	344.459	1.928	10	30		EDEEMO
C=C(C)COc1ccccc1[C@H]1N[C@](CO)(CCO)[C@H]2C[N@@H+](C)C[C@H]21	ZINC000065372215	441419893	/nfs/dbraw/zinc/41/98/93/441419893.db2.gz	ZNMHLJZFNYJQAK-BWPNAZKDSA-N	1	1	346.471	1.577	10	30		EDEEMO
C=C(C)COc1ccccc1[C@H]1[NH2+][C@](CO)(CCO)[C@H]2CN(C)C[C@H]21	ZINC000065372215	441419896	/nfs/dbraw/zinc/41/98/96/441419896.db2.gz	ZNMHLJZFNYJQAK-BWPNAZKDSA-N	1	1	346.471	1.577	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000117296891	441868512	/nfs/dbraw/zinc/86/85/12/441868512.db2.gz	FSRLOTAIDCLDBA-HNNXBMFYSA-N	1	1	331.416	1.311	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000117296891	441868518	/nfs/dbraw/zinc/86/85/18/441868518.db2.gz	FSRLOTAIDCLDBA-HNNXBMFYSA-N	1	1	331.416	1.311	10	30		EDEEMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1C#N	ZINC000123115721	441876202	/nfs/dbraw/zinc/87/62/02/441876202.db2.gz	FBVPMZLBZUODKC-OAHLLOKOSA-N	1	1	330.413	1.917	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3ccc(C#N)o3)CC2)C1	ZINC000121039809	442169394	/nfs/dbraw/zinc/16/93/94/442169394.db2.gz	QLIVNYQEAUWGCB-GOSISDBHSA-N	1	1	332.448	1.378	10	30		EDEEMO
CO[C@@H]1[C@H](OC(=O)C[NH3+])CC[C@]2(CO2)[C@H]1[C@]1(C)O[C@@H]1CC=C(C)C	ZINC000096793172	442150641	/nfs/dbraw/zinc/15/06/41/442150641.db2.gz	OHBNYNIEIMYTHU-GMYDAAELSA-N	1	1	339.432	1.565	10	30		EDEEMO
C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000177902636	442394455	/nfs/dbraw/zinc/39/44/55/442394455.db2.gz	DRRICAZDYYNKNE-LRDDRELGSA-N	1	1	332.379	1.882	10	30		EDEEMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156689502	442509432	/nfs/dbraw/zinc/50/94/32/442509432.db2.gz	CAUMIOZRGXATQD-CYBMUJFWSA-N	1	1	327.837	1.974	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156689502	442509437	/nfs/dbraw/zinc/50/94/37/442509437.db2.gz	CAUMIOZRGXATQD-CYBMUJFWSA-N	1	1	327.837	1.974	10	30		EDEEMO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000186164371	442475575	/nfs/dbraw/zinc/47/55/75/442475575.db2.gz	LQSIMESEAWNXIW-JKSUJKDBSA-N	1	1	347.459	1.848	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000180051274	442533453	/nfs/dbraw/zinc/53/34/53/442533453.db2.gz	YJSRZPQKBZOMFM-LSDHHAIUSA-N	1	1	346.431	1.898	10	30		EDEEMO
N#Cc1cccnc1-n1cc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1	ZINC000184601478	443047677	/nfs/dbraw/zinc/04/76/77/443047677.db2.gz	SFMOPFRBPLQRKI-HNNXBMFYSA-N	1	1	337.387	1.451	10	30		EDEEMO
COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)CC[C@@H]21	ZINC000299746307	444133363	/nfs/dbraw/zinc/13/33/63/444133363.db2.gz	WOCSVZFMGUMIJZ-CVEARBPZSA-N	1	1	344.415	1.181	10	30		EDEEMO
COCCN1C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3OC)CC[C@@H]21	ZINC000299746307	444133369	/nfs/dbraw/zinc/13/33/69/444133369.db2.gz	WOCSVZFMGUMIJZ-CVEARBPZSA-N	1	1	344.415	1.181	10	30		EDEEMO
Cc1cc(C#N)nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)n1	ZINC000585790471	448774187	/nfs/dbraw/zinc/77/41/87/448774187.db2.gz	QQTVCDYGAGFENE-WMLDXEAASA-N	1	1	339.447	1.910	10	30		EDEEMO
C#Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1	ZINC000106433214	595288961	/nfs/dbraw/zinc/28/89/61/595288961.db2.gz	BASYZITXABKDIW-LJQANCHMSA-N	1	1	349.434	1.896	10	30		EDEEMO
C=CCNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)nc1	ZINC000246215539	249306637	/nfs/dbraw/zinc/30/66/37/249306637.db2.gz	PNEUFOMOKGLWMO-HOCLYGCPSA-N	1	1	332.448	1.279	10	30		EDEEMO
COCCN1CC[C@@]2(C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2C)C1=O	ZINC000247832789	257678277	/nfs/dbraw/zinc/67/82/77/257678277.db2.gz	IABXLILKFJLFGA-KXBFYZLASA-N	1	1	327.428	1.875	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000105836666	441288876	/nfs/dbraw/zinc/28/88/76/441288876.db2.gz	RAUMZOFNXQKUNZ-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000105836666	441288879	/nfs/dbraw/zinc/28/88/79/441288879.db2.gz	RAUMZOFNXQKUNZ-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000105836666	441288883	/nfs/dbraw/zinc/28/88/83/441288883.db2.gz	RAUMZOFNXQKUNZ-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCOc1ccc(C#N)cc1	ZINC000173508727	441773971	/nfs/dbraw/zinc/77/39/71/441773971.db2.gz	PACJHTOMOQTSRI-GOEBONIOSA-N	1	1	328.416	1.815	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000173943726	441866344	/nfs/dbraw/zinc/86/63/44/441866344.db2.gz	HQOYSNRDMJBOEX-MRXNPFEDSA-N	1	1	331.416	1.352	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000176005119	442160108	/nfs/dbraw/zinc/16/01/08/442160108.db2.gz	SWUYXPVWFSQEGG-CQSZACIVSA-N	1	1	332.379	1.579	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000164512569	529226430	/nfs/dbraw/zinc/22/64/30/529226430.db2.gz	YRYPVRUQQJYGFQ-MRXNPFEDSA-N	1	1	345.443	1.631	10	30		EDEEMO
Cn1cc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cn1	ZINC000247025105	139132034	/nfs/dbraw/zinc/13/20/34/139132034.db2.gz	NDWQNVXWDQULRM-NVXWUHKLSA-N	1	1	326.400	1.521	10	30		EDEEMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CCCCC1	ZINC000105883258	441305360	/nfs/dbraw/zinc/30/53/60/441305360.db2.gz	AOKUPEOLQCOTLY-OAHLLOKOSA-N	1	1	330.436	1.333	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000246319003	442772147	/nfs/dbraw/zinc/77/21/47/442772147.db2.gz	CXMVLYFRQKGTQE-ZTFGCOKTSA-N	1	1	345.443	1.549	10	30		EDEEMO
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000246318987	442772353	/nfs/dbraw/zinc/77/23/53/442772353.db2.gz	CXMVLYFRQKGTQE-QGTPRVQTSA-N	1	1	345.443	1.549	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C1CC1	ZINC000249545043	442984847	/nfs/dbraw/zinc/98/48/47/442984847.db2.gz	FYLWPXCUTQLMJN-JLJPHGGASA-N	1	1	333.457	1.564	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)C1CC1	ZINC000249545043	442984852	/nfs/dbraw/zinc/98/48/52/442984852.db2.gz	FYLWPXCUTQLMJN-JLJPHGGASA-N	1	1	333.457	1.564	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184611001	443049243	/nfs/dbraw/zinc/04/92/43/443049243.db2.gz	INOCQFUFBGNOQA-AWEZNQCLSA-N	1	1	339.403	1.745	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000117283904	595614923	/nfs/dbraw/zinc/61/49/23/595614923.db2.gz	MZOLUXALHYFKFZ-MRXNPFEDSA-N	1	1	345.443	1.701	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000117283904	595614928	/nfs/dbraw/zinc/61/49/28/595614928.db2.gz	MZOLUXALHYFKFZ-MRXNPFEDSA-N	1	1	345.443	1.701	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](CC)C1	ZINC000174768125	695483476	/nfs/dbraw/zinc/48/34/76/695483476.db2.gz	QWTOHROTCNTXIF-AWEZNQCLSA-N	1	1	347.390	1.377	10	30		EDEEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000246748628	139120011	/nfs/dbraw/zinc/12/00/11/139120011.db2.gz	BHQQEUOUDZXCHL-XJKSGUPXSA-N	1	1	328.416	1.133	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C)nn2)CC1	ZINC000247154923	249314974	/nfs/dbraw/zinc/31/49/74/249314974.db2.gz	LXSLHEBGCFETCN-QGZVFWFLSA-N	1	1	343.475	1.886	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000249182548	139188608	/nfs/dbraw/zinc/18/86/08/139188608.db2.gz	NMJIGWITUVVZDH-FZMZJTMJSA-N	1	1	330.363	1.331	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125367015	442015178	/nfs/dbraw/zinc/01/51/78/442015178.db2.gz	RYCJSIQDSONRHS-ZYHUDNBSSA-N	1	1	341.383	1.694	10	30		EDEEMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000181561387	442703988	/nfs/dbraw/zinc/70/39/88/442703988.db2.gz	HGVMPXOHVOOWCV-OAHLLOKOSA-N	1	1	330.436	1.139	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1	ZINC000249206876	442960286	/nfs/dbraw/zinc/96/02/86/442960286.db2.gz	RWXXCOUTQHRFHD-HOCLYGCPSA-N	1	1	343.427	1.885	10	30		EDEEMO
C[N@H+]1CC[C@@H](C[NH+]=C([O-])NCCn2ccnc2)[C@@H]1c1cccnc1	ZINC000328630844	444403886	/nfs/dbraw/zinc/40/38/86/444403886.db2.gz	QHGNIGZHCHWKQZ-HOTGVXAUSA-N	1	1	328.420	1.475	10	30		EDEEMO
C[N@@H+]1CC[C@@H](CNC([O-])=[NH+]CCn2ccnc2)[C@@H]1c1cccnc1	ZINC000328630844	444403888	/nfs/dbraw/zinc/40/38/88/444403888.db2.gz	QHGNIGZHCHWKQZ-HOTGVXAUSA-N	1	1	328.420	1.475	10	30		EDEEMO
C[N@H+]1CC[C@@H](CNC([O-])=[NH+]CCn2ccnc2)[C@@H]1c1cccnc1	ZINC000328630844	444403893	/nfs/dbraw/zinc/40/38/93/444403893.db2.gz	QHGNIGZHCHWKQZ-HOTGVXAUSA-N	1	1	328.420	1.475	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1C	ZINC000127997613	597714077	/nfs/dbraw/zinc/71/40/77/597714077.db2.gz	DXOOZKFWJYJQQE-INIZCTEOSA-N	1	1	345.443	1.701	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1C	ZINC000127997613	597714080	/nfs/dbraw/zinc/71/40/80/597714080.db2.gz	DXOOZKFWJYJQQE-INIZCTEOSA-N	1	1	345.443	1.701	10	30		EDEEMO
Cn1cc([C@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000246880251	139125332	/nfs/dbraw/zinc/12/53/32/139125332.db2.gz	FXQUAUALWMKFOD-YOEHRIQHSA-N	1	1	349.394	1.413	10	30		EDEEMO
Cn1cc([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000246880251	139125333	/nfs/dbraw/zinc/12/53/33/139125333.db2.gz	FXQUAUALWMKFOD-YOEHRIQHSA-N	1	1	349.394	1.413	10	30		EDEEMO
COCC[N@@H+]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000105832034	532961671	/nfs/dbraw/zinc/96/16/71/532961671.db2.gz	BEEPULRHNVGJRT-QGZVFWFLSA-N	1	1	344.459	1.586	10	30		EDEEMO
COCC[N@H+]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000105832034	532961678	/nfs/dbraw/zinc/96/16/78/532961678.db2.gz	BEEPULRHNVGJRT-QGZVFWFLSA-N	1	1	344.459	1.586	10	30		EDEEMO
COCC[N@@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1C	ZINC000152476008	442217495	/nfs/dbraw/zinc/21/74/95/442217495.db2.gz	XXXKHPMLXWAQTE-HNNXBMFYSA-N	1	1	345.443	1.895	10	30		EDEEMO
COCC[N@H+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@@H]1C	ZINC000152476008	442217497	/nfs/dbraw/zinc/21/74/97/442217497.db2.gz	XXXKHPMLXWAQTE-HNNXBMFYSA-N	1	1	345.443	1.895	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000170903661	442285896	/nfs/dbraw/zinc/28/58/96/442285896.db2.gz	PVXTWRZJPQQFPH-HNNXBMFYSA-N	1	1	338.415	1.540	10	30		EDEEMO
CCn1cc(C[N@@H+]2CCCN(C(=O)NCCCCC#N)CC2)cn1	ZINC000171853442	442384923	/nfs/dbraw/zinc/38/49/23/442384923.db2.gz	UEGSAIAGCFKTAS-UHFFFAOYSA-N	1	1	332.452	1.814	10	30		EDEEMO
CCn1cc(C[N@H+]2CCCN(C(=O)NCCCCC#N)CC2)cn1	ZINC000171853442	442384925	/nfs/dbraw/zinc/38/49/25/442384925.db2.gz	UEGSAIAGCFKTAS-UHFFFAOYSA-N	1	1	332.452	1.814	10	30		EDEEMO
C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nn2)CC1	ZINC000192269438	442625115	/nfs/dbraw/zinc/62/51/15/442625115.db2.gz	FMCCXZYBQKCNBY-HNNXBMFYSA-N	1	1	345.447	1.981	10	30		EDEEMO
C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)nn2)CC1	ZINC000192269438	442625119	/nfs/dbraw/zinc/62/51/19/442625119.db2.gz	FMCCXZYBQKCNBY-HNNXBMFYSA-N	1	1	345.447	1.981	10	30		EDEEMO
C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000195322901	443009861	/nfs/dbraw/zinc/00/98/61/443009861.db2.gz	JJJZGFPAKHZLST-HNNXBMFYSA-N	1	1	349.456	1.071	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C#N	ZINC000190085372	443055081	/nfs/dbraw/zinc/05/50/81/443055081.db2.gz	WFQLIYDOCXQDLS-UONOGXRCSA-N	1	1	326.400	1.500	10	30		EDEEMO
C=CCNC(=O)C[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190517378	443124727	/nfs/dbraw/zinc/12/47/27/443124727.db2.gz	BVMOZWYUXWQFCF-HNNXBMFYSA-N	1	1	339.480	1.417	10	30		EDEEMO
C=C(C)C[C@H](C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000185544669	443217261	/nfs/dbraw/zinc/21/72/61/443217261.db2.gz	RUAXALIUSQQAHI-ZWKOTPCHSA-N	1	1	337.508	1.842	10	30		EDEEMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](C[C@H](O)CC)CC1	ZINC000181183706	528378718	/nfs/dbraw/zinc/37/87/18/528378718.db2.gz	UXZVLDZOMFBBDE-OAHLLOKOSA-N	1	1	346.431	1.877	10	30		EDEEMO
Cn1cnnc1C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000888077425	590933166	/nfs/dbraw/zinc/93/31/66/590933166.db2.gz	APDNEEYRDGERPH-KRWDZBQOSA-N	1	1	329.379	1.395	10	30		EDEEMO
COC(=O)CN1C(=O)c2ccc(OC3CC[NH+](C)CC3)cc2[C@@H]1C#N	ZINC000071682894	215795061	/nfs/dbraw/zinc/79/50/61/215795061.db2.gz	LCWNKLXTUHPVSE-INIZCTEOSA-N	1	1	343.383	1.353	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1	ZINC000072453581	441232704	/nfs/dbraw/zinc/23/27/04/441232704.db2.gz	YZDQVBVKQZCAQT-OAHLLOKOSA-N	1	1	349.479	1.585	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1cc(C)nc(N(C)C)n1	ZINC000072453581	441232705	/nfs/dbraw/zinc/23/27/05/441232705.db2.gz	YZDQVBVKQZCAQT-OAHLLOKOSA-N	1	1	349.479	1.585	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161348527	441988679	/nfs/dbraw/zinc/98/86/79/441988679.db2.gz	URXFYAFAULIGMZ-GJZGRUSLSA-N	1	1	332.452	1.486	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000161348527	441988683	/nfs/dbraw/zinc/98/86/83/441988683.db2.gz	URXFYAFAULIGMZ-GJZGRUSLSA-N	1	1	332.452	1.486	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176897016	442268994	/nfs/dbraw/zinc/26/89/94/442268994.db2.gz	BUGHAUVNNMBWNL-CQSZACIVSA-N	1	1	332.379	1.579	10	30		EDEEMO
C=CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000172144584	442415056	/nfs/dbraw/zinc/41/50/56/442415056.db2.gz	IBDIAFYUAGFBPM-UHFFFAOYSA-N	1	1	337.493	1.557	10	30		EDEEMO
C=CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000172144584	442415059	/nfs/dbraw/zinc/41/50/59/442415059.db2.gz	IBDIAFYUAGFBPM-UHFFFAOYSA-N	1	1	337.493	1.557	10	30		EDEEMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000248616574	442907992	/nfs/dbraw/zinc/90/79/92/442907992.db2.gz	AQCMZZDEISJAOW-GJZGRUSLSA-N	1	1	348.443	1.787	10	30		EDEEMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000248616574	442907996	/nfs/dbraw/zinc/90/79/96/442907996.db2.gz	AQCMZZDEISJAOW-GJZGRUSLSA-N	1	1	348.443	1.787	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)CCc2c(C)nn(CCC#N)c2C)C1	ZINC000194651995	442932157	/nfs/dbraw/zinc/93/21/57/442932157.db2.gz	RODYMCSEFSHBHF-INIZCTEOSA-N	1	1	331.464	1.947	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249537427	442983667	/nfs/dbraw/zinc/98/36/67/442983667.db2.gz	CWJLCOVPIQKNNQ-KBMXLJTQSA-N	1	1	335.473	1.764	10	30		EDEEMO
C[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000128770394	534308195	/nfs/dbraw/zinc/30/81/95/534308195.db2.gz	YGDZAZWDKWZPQO-CRAIPNDOSA-N	1	1	343.427	1.311	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1	ZINC000105807218	528618653	/nfs/dbraw/zinc/61/86/53/528618653.db2.gz	AYPXCISIUULPAQ-HNNXBMFYSA-N	1	1	344.463	1.385	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000247239726	535599393	/nfs/dbraw/zinc/59/93/93/535599393.db2.gz	WXBNQDKVLISGOE-HOTGVXAUSA-N	1	1	345.443	1.895	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000247239726	535599398	/nfs/dbraw/zinc/59/93/98/535599398.db2.gz	WXBNQDKVLISGOE-HOTGVXAUSA-N	1	1	345.443	1.895	10	30		EDEEMO
Cc1cnn([C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000105901652	441313757	/nfs/dbraw/zinc/31/37/57/441313757.db2.gz	RDIFXBKXEUAPBC-INIZCTEOSA-N	1	1	328.420	1.484	10	30		EDEEMO
Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000105901652	441313760	/nfs/dbraw/zinc/31/37/60/441313760.db2.gz	RDIFXBKXEUAPBC-INIZCTEOSA-N	1	1	328.420	1.484	10	30		EDEEMO
N#CCCCCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000172133849	442413354	/nfs/dbraw/zinc/41/33/54/442413354.db2.gz	ZCUUPFDHMPNLIV-KRWDZBQOSA-N	1	1	330.432	1.741	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000246429284	442780454	/nfs/dbraw/zinc/78/04/54/442780454.db2.gz	LECYJJSFTPHXHO-QZTJIDSGSA-N	1	1	345.443	1.815	10	30		EDEEMO
C#CCC(C)(C)C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000185544749	443217112	/nfs/dbraw/zinc/21/71/12/443217112.db2.gz	KTSLXOVXBHMPHM-QGZVFWFLSA-N	1	1	335.492	1.289	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000105836766	526542088	/nfs/dbraw/zinc/54/20/88/526542088.db2.gz	SWIACTLBLFMGQF-DLBZAZTESA-N	1	1	325.497	1.842	10	30		EDEEMO
C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1	ZINC000245946354	536420360	/nfs/dbraw/zinc/42/03/60/536420360.db2.gz	ADWNOTGKBRLYDJ-ZWKOTPCHSA-N	1	1	337.427	1.982	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181741483	700001332	/nfs/dbraw/zinc/00/13/32/700001332.db2.gz	KMMFMHYDOXRQOV-UONOGXRCSA-N	1	1	344.415	1.516	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000190078838	267242184	/nfs/dbraw/zinc/24/21/84/267242184.db2.gz	GUMBQTNOPMNTGJ-SMDDNHRTSA-N	1	1	346.818	1.845	10	30		EDEEMO
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000105824950	441280511	/nfs/dbraw/zinc/28/05/11/441280511.db2.gz	KXLHMKQJDRGDRR-RVKKMQEKSA-N	1	1	344.459	1.662	10	30		EDEEMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1	ZINC000170657149	442243738	/nfs/dbraw/zinc/24/37/38/442243738.db2.gz	QMMQUAZSOXUAIU-INIZCTEOSA-N	1	1	330.413	1.534	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1	ZINC000177267980	442322538	/nfs/dbraw/zinc/32/25/38/442322538.db2.gz	SMNHROHLWHCQPA-WBVHZDCISA-N	1	1	345.443	1.598	10	30		EDEEMO
CN(CCC#N)C(=O)CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000131504059	442373597	/nfs/dbraw/zinc/37/35/97/442373597.db2.gz	BNRUIVIGXPCACO-SFHVURJKSA-N	1	1	344.459	1.100	10	30		EDEEMO
C=CCOc1ccccc1CNC(=O)N1CC[NH+](C[C@@H](O)CC)CC1	ZINC000181744624	442714551	/nfs/dbraw/zinc/71/45/51/442714551.db2.gz	RGWSWLFPUBCEGO-KRWDZBQOSA-N	1	1	347.459	1.850	10	30		EDEEMO
C=CCNC(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195261708	443002308	/nfs/dbraw/zinc/00/23/08/443002308.db2.gz	AOFKBRAMFUIERP-GJZGRUSLSA-N	1	1	336.505	1.896	10	30		EDEEMO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195261708	443002313	/nfs/dbraw/zinc/00/23/13/443002313.db2.gz	AOFKBRAMFUIERP-GJZGRUSLSA-N	1	1	336.505	1.896	10	30		EDEEMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1	ZINC000195261708	443002318	/nfs/dbraw/zinc/00/23/18/443002318.db2.gz	AOFKBRAMFUIERP-GJZGRUSLSA-N	1	1	336.505	1.896	10	30		EDEEMO
C=C(C)CN(CC)C(=O)CN(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000105862390	526519260	/nfs/dbraw/zinc/51/92/60/526519260.db2.gz	INZIGBWCBKYEOX-INIZCTEOSA-N	1	1	325.497	1.436	10	30		EDEEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247370322	535603464	/nfs/dbraw/zinc/60/34/64/535603464.db2.gz	UNENRYIDUPVFGJ-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247370322	535603473	/nfs/dbraw/zinc/60/34/73/535603473.db2.gz	UNENRYIDUPVFGJ-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](Nc3nc(C)cc(C#N)n3)C2)[C@H]1C(C)C	ZINC000888099371	591029021	/nfs/dbraw/zinc/02/90/21/591029021.db2.gz	WLTZAKCJXLUDNV-KONPQCLYSA-N	1	1	329.448	1.938	10	30		EDEEMO
C=C(Br)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1	ZINC000184969112	698726783	/nfs/dbraw/zinc/72/67/83/698726783.db2.gz	VXHQGARJXCZABG-NEPJUHHUSA-N	1	1	334.258	1.382	10	30		EDEEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000177981516	232048467	/nfs/dbraw/zinc/04/84/67/232048467.db2.gz	YWJBIOSLYPHMDV-INIZCTEOSA-N	1	1	337.383	1.693	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247151240	249314745	/nfs/dbraw/zinc/31/47/45/249314745.db2.gz	LQGHDVVMJGNLFP-CVEARBPZSA-N	1	1	344.463	1.385	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000247370005	139146280	/nfs/dbraw/zinc/14/62/80/139146280.db2.gz	PCDAIVQNXHSOTQ-IAQYHMDHSA-N	1	1	348.834	1.995	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000249185496	139188572	/nfs/dbraw/zinc/18/85/72/139188572.db2.gz	NZVRWOVNCDIWCS-RISCZKNCSA-N	1	1	330.363	1.331	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000117279809	221041751	/nfs/dbraw/zinc/04/17/51/221041751.db2.gz	WXBNQDKVLISGOE-JKSUJKDBSA-N	1	1	345.443	1.895	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C[C@@H]1C	ZINC000117279809	221041752	/nfs/dbraw/zinc/04/17/52/221041752.db2.gz	WXBNQDKVLISGOE-JKSUJKDBSA-N	1	1	345.443	1.895	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000052592285	132184348	/nfs/dbraw/zinc/18/43/48/132184348.db2.gz	HFRFYAIXQZKCPZ-INIZCTEOSA-N	1	1	342.447	1.269	10	30		EDEEMO
C[C@H](C#N)C(=O)N1CC[C@H](C)[C@@H](N(C)c2[nH+]cnc3[nH]ccc32)C1	ZINC000169306740	226239296	/nfs/dbraw/zinc/23/92/96/226239296.db2.gz	HTHSDNKHQYZZDG-SCRDCRAPSA-N	1	1	326.404	1.791	10	30		EDEEMO
N#Cc1ccc(OC2CN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)cc1	ZINC000329673458	268167815	/nfs/dbraw/zinc/16/78/15/268167815.db2.gz	SVXKLHAJAVYYKM-AWEZNQCLSA-N	1	1	326.400	1.772	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1	ZINC000105801673	276134953	/nfs/dbraw/zinc/13/49/53/276134953.db2.gz	IHYOXJMVTDKEIZ-HNNXBMFYSA-N	1	1	344.463	1.305	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccc(C)nn2)CC1	ZINC000105801673	276134954	/nfs/dbraw/zinc/13/49/54/276134954.db2.gz	IHYOXJMVTDKEIZ-HNNXBMFYSA-N	1	1	344.463	1.305	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC	ZINC000105837773	441290438	/nfs/dbraw/zinc/29/04/38/441290438.db2.gz	BHBHWOMBCFHSOO-SFHVURJKSA-N	1	1	344.459	1.929	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105885451	441306774	/nfs/dbraw/zinc/30/67/74/441306774.db2.gz	VNEFWMMPLAZSMK-INIZCTEOSA-N	1	1	332.452	1.369	10	30		EDEEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000105896097	441312335	/nfs/dbraw/zinc/31/23/35/441312335.db2.gz	XWSWLQXKSGJHAE-MRXNPFEDSA-N	1	1	342.447	1.830	10	30		EDEEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000105896097	441312341	/nfs/dbraw/zinc/31/23/41/441312341.db2.gz	XWSWLQXKSGJHAE-MRXNPFEDSA-N	1	1	342.447	1.830	10	30		EDEEMO
C=CCSCCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000117040400	441863334	/nfs/dbraw/zinc/86/33/34/441863334.db2.gz	XELJAXICBCCRAM-QGZVFWFLSA-N	1	1	349.500	1.966	10	30		EDEEMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177053899	442290632	/nfs/dbraw/zinc/29/06/32/442290632.db2.gz	UIDSTRKJQYUXCF-CPUCHLNUSA-N	1	1	331.416	1.159	10	30		EDEEMO
Cc1nc(C)n(C[C@H]2CCC[N@H+](CCC(=O)N(C)CCC#N)C2)n1	ZINC000131523240	442373621	/nfs/dbraw/zinc/37/36/21/442373621.db2.gz	ZQZTYKIXJQBEGZ-INIZCTEOSA-N	1	1	332.452	1.369	10	30		EDEEMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCNC(=O)[C@H]2C)c(OC)c1	ZINC000253309181	443049416	/nfs/dbraw/zinc/04/94/16/443049416.db2.gz	BUQGZIRUNPVZSM-GDBMZVCRSA-N	1	1	348.443	1.374	10	30		EDEEMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCNC(=O)[C@H]2C)c(OC)c1	ZINC000253309181	443049418	/nfs/dbraw/zinc/04/94/18/443049418.db2.gz	BUQGZIRUNPVZSM-GDBMZVCRSA-N	1	1	348.443	1.374	10	30		EDEEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000185079407	443132034	/nfs/dbraw/zinc/13/20/34/443132034.db2.gz	IKQLMNDEPKGEEX-MRXNPFEDSA-N	1	1	346.431	1.187	10	30		EDEEMO
C[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000128770201	533840328	/nfs/dbraw/zinc/84/03/28/533840328.db2.gz	YGDZAZWDKWZPQO-YJBOKZPZSA-N	1	1	343.427	1.311	10	30		EDEEMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1	ZINC000105804802	528849435	/nfs/dbraw/zinc/84/94/35/528849435.db2.gz	VYXHMZZOFALMNT-QGZVFWFLSA-N	1	1	330.436	1.407	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1cncc(C(=O)N(C)C)n1	ZINC000072479677	216259188	/nfs/dbraw/zinc/25/91/88/216259188.db2.gz	AVHFNHCQVBNPIJ-HNNXBMFYSA-N	1	1	349.479	1.385	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1cncc(C(=O)N(C)C)n1	ZINC000072479677	216259191	/nfs/dbraw/zinc/25/91/91/216259191.db2.gz	AVHFNHCQVBNPIJ-HNNXBMFYSA-N	1	1	349.479	1.385	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247193623	139139731	/nfs/dbraw/zinc/13/97/31/139139731.db2.gz	OIIJMOICAJTJDD-MAUKXSAKSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000247193623	139139732	/nfs/dbraw/zinc/13/97/32/139139732.db2.gz	OIIJMOICAJTJDD-MAUKXSAKSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000247193623	139139733	/nfs/dbraw/zinc/13/97/33/139139733.db2.gz	OIIJMOICAJTJDD-MAUKXSAKSA-N	1	1	344.459	1.664	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000247025935	249314006	/nfs/dbraw/zinc/31/40/06/249314006.db2.gz	CXAYUNFGTIQAPD-WMLDXEAASA-N	1	1	346.479	1.615	10	30		EDEEMO
CN(C(=O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1)C1(C#N)CCCCC1	ZINC000116324044	441812563	/nfs/dbraw/zinc/81/25/63/441812563.db2.gz	GDOIOEXKKCKPIC-OAHLLOKOSA-N	1	1	329.448	1.894	10	30		EDEEMO
CN(C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)C1(C#N)CCCCC1	ZINC000116324044	441812565	/nfs/dbraw/zinc/81/25/65/441812565.db2.gz	GDOIOEXKKCKPIC-OAHLLOKOSA-N	1	1	329.448	1.894	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1F	ZINC000177392802	442335749	/nfs/dbraw/zinc/33/57/49/442335749.db2.gz	LRTVTYWXZAZTQX-AWEZNQCLSA-N	1	1	330.363	1.333	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1F	ZINC000177392802	442335752	/nfs/dbraw/zinc/33/57/52/442335752.db2.gz	LRTVTYWXZAZTQX-AWEZNQCLSA-N	1	1	330.363	1.333	10	30		EDEEMO
N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000156224179	442456291	/nfs/dbraw/zinc/45/62/91/442456291.db2.gz	HONPFXACUDGRSR-GOSISDBHSA-N	1	1	326.400	1.925	10	30		EDEEMO
N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](Cn3cccn3)C2)c1	ZINC000156224179	442456299	/nfs/dbraw/zinc/45/62/99/442456299.db2.gz	HONPFXACUDGRSR-GOSISDBHSA-N	1	1	326.400	1.925	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1	ZINC000195518282	443028571	/nfs/dbraw/zinc/02/85/71/443028571.db2.gz	LBPURWGGZIWFHO-UKRRQHHQSA-N	1	1	333.436	1.641	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Cc2noc(C)n2)C1	ZINC000195518282	443028573	/nfs/dbraw/zinc/02/85/73/443028573.db2.gz	LBPURWGGZIWFHO-UKRRQHHQSA-N	1	1	333.436	1.641	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1	ZINC000177975111	527444506	/nfs/dbraw/zinc/44/45/06/527444506.db2.gz	OZLVOEACHDXRFB-KRWDZBQOSA-N	1	1	336.395	1.803	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869683	527633488	/nfs/dbraw/zinc/63/34/88/527633488.db2.gz	UQEHRMFOMPVKID-KRWDZBQOSA-N	1	1	345.491	1.517	10	30		EDEEMO
CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000174610679	529364858	/nfs/dbraw/zinc/36/48/58/529364858.db2.gz	PJMCAONHOVSJMO-NVXWUHKLSA-N	1	1	345.443	1.435	10	30		EDEEMO
C#CCOc1ccc(C(=O)N2CC[N@H+](CCOC)[C@H](CC)C2)cc1	ZINC000121417917	594843475	/nfs/dbraw/zinc/84/34/75/594843475.db2.gz	LRGNBEAVNXLVLJ-QGZVFWFLSA-N	1	1	330.428	1.881	10	30		EDEEMO
C#CCOc1ccc(C(=O)N2CC[N@@H+](CCOC)[C@H](CC)C2)cc1	ZINC000121417917	594843477	/nfs/dbraw/zinc/84/34/77/594843477.db2.gz	LRGNBEAVNXLVLJ-QGZVFWFLSA-N	1	1	330.428	1.881	10	30		EDEEMO
CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO	ZINC000072399776	216194018	/nfs/dbraw/zinc/19/40/18/216194018.db2.gz	TYXAKMAAZJJHCB-FJIDUMEYSA-N	1	1	331.497	1.667	10	30		EDEEMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195319085	139014043	/nfs/dbraw/zinc/01/40/43/139014043.db2.gz	MLKQQHAJGBXDRX-AWEZNQCLSA-N	1	1	328.416	1.103	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000247558053	249317673	/nfs/dbraw/zinc/31/76/73/249317673.db2.gz	QMSMWICGVGFECH-USXIJHARSA-N	1	1	345.443	1.975	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000105821492	533698726	/nfs/dbraw/zinc/69/87/26/533698726.db2.gz	LMYNSJPBZQJQRQ-DLBZAZTESA-N	1	1	344.459	1.320	10	30		EDEEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000106397684	441339402	/nfs/dbraw/zinc/33/94/02/441339402.db2.gz	PNKJSFKXUYRVLJ-HNNXBMFYSA-N	1	1	333.457	1.565	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C#N	ZINC000150798511	441953072	/nfs/dbraw/zinc/95/30/72/441953072.db2.gz	JMRSNVMUBFABAX-XJKSGUPXSA-N	1	1	328.416	1.650	10	30		EDEEMO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000175663448	442101328	/nfs/dbraw/zinc/10/13/28/442101328.db2.gz	XQDARPHKKZIFLX-RHSMWYFYSA-N	1	1	328.416	1.420	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176244235	442198891	/nfs/dbraw/zinc/19/88/91/442198891.db2.gz	QYSDQBVTHZQTEN-GDBMZVCRSA-N	1	1	333.457	1.500	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128656665	442280438	/nfs/dbraw/zinc/28/04/38/442280438.db2.gz	DBBZDBIWEBUJSE-INIZCTEOSA-N	1	1	335.473	1.748	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1F	ZINC000177392778	442335604	/nfs/dbraw/zinc/33/56/04/442335604.db2.gz	LRTVTYWXZAZTQX-CQSZACIVSA-N	1	1	330.363	1.333	10	30		EDEEMO
N#Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1F	ZINC000177392778	442335605	/nfs/dbraw/zinc/33/56/05/442335605.db2.gz	LRTVTYWXZAZTQX-CQSZACIVSA-N	1	1	330.363	1.333	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000177393801	442336533	/nfs/dbraw/zinc/33/65/33/442336533.db2.gz	QEOWEISHKSGRJG-OAHLLOKOSA-N	1	1	326.400	1.502	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000177393801	442336537	/nfs/dbraw/zinc/33/65/37/442336537.db2.gz	QEOWEISHKSGRJG-OAHLLOKOSA-N	1	1	326.400	1.502	10	30		EDEEMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156689352	442509651	/nfs/dbraw/zinc/50/96/51/442509651.db2.gz	CAUMIOZRGXATQD-ZDUSSCGKSA-N	1	1	327.837	1.974	10	30		EDEEMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000156689352	442509653	/nfs/dbraw/zinc/50/96/53/442509653.db2.gz	CAUMIOZRGXATQD-ZDUSSCGKSA-N	1	1	327.837	1.974	10	30		EDEEMO
CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000247006546	442827958	/nfs/dbraw/zinc/82/79/58/442827958.db2.gz	VXOYBXNIPPKATN-ZMSDIMECSA-N	1	1	345.443	1.629	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000190343137	443088330	/nfs/dbraw/zinc/08/83/30/443088330.db2.gz	VZPQARGMXNRGAC-HUUCEWRRSA-N	1	1	340.427	1.890	10	30		EDEEMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803190	526518846	/nfs/dbraw/zinc/51/88/46/526518846.db2.gz	WZQIKDNWKXXNRW-MRXNPFEDSA-N	1	1	331.464	1.802	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1CC	ZINC000105837815	528751122	/nfs/dbraw/zinc/75/11/22/528751122.db2.gz	BAIPBDQQDOMIRP-WMZOPIPTSA-N	1	1	336.480	1.228	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1N1CCOCC1	ZINC000246475047	139110004	/nfs/dbraw/zinc/11/00/04/139110004.db2.gz	OHVUIGRELPMKOS-CRAIPNDOSA-N	1	1	342.443	1.539	10	30		EDEEMO
CC[C@@H](O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000118856559	441908438	/nfs/dbraw/zinc/90/84/38/441908438.db2.gz	LXQRDDCYTBWOOP-QGZVFWFLSA-N	1	1	330.432	1.275	10	30		EDEEMO
CC[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000174606452	441944225	/nfs/dbraw/zinc/94/42/25/441944225.db2.gz	MUMFWGBJODRUPW-NCQICXCDSA-N	1	1	327.428	1.875	10	30		EDEEMO
C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1N1CCOCC1	ZINC000177272804	442323619	/nfs/dbraw/zinc/32/36/19/442323619.db2.gz	PRZHAIMFRYQCCA-IRXDYDNUSA-N	1	1	348.491	1.324	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000178509520	442439988	/nfs/dbraw/zinc/43/99/88/442439988.db2.gz	RQZBMZXTCHCENY-HNNXBMFYSA-N	1	1	328.416	1.748	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000178509507	442440160	/nfs/dbraw/zinc/44/01/60/442440160.db2.gz	RQZBMZXTCHCENY-OAHLLOKOSA-N	1	1	328.416	1.748	10	30		EDEEMO
CCOCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000157951866	442631662	/nfs/dbraw/zinc/63/16/62/442631662.db2.gz	VPAQYLLEHRRRRH-INIZCTEOSA-N	1	1	347.459	1.988	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000249890348	443008793	/nfs/dbraw/zinc/00/87/93/443008793.db2.gz	QHSLPXHOJZBDCE-SUMWQHHRSA-N	1	1	331.420	1.441	10	30		EDEEMO
Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000249890348	443008795	/nfs/dbraw/zinc/00/87/95/443008795.db2.gz	QHSLPXHOJZBDCE-SUMWQHHRSA-N	1	1	331.420	1.441	10	30		EDEEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000173743646	534779722	/nfs/dbraw/zinc/77/97/22/534779722.db2.gz	SQBBZYCZFQSGHJ-AWEZNQCLSA-N	1	1	331.401	1.312	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247200478	535607898	/nfs/dbraw/zinc/60/78/98/535607898.db2.gz	OXQYCQLQNRZJFS-HZPDHXFCSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247200478	535607903	/nfs/dbraw/zinc/60/79/03/535607903.db2.gz	OXQYCQLQNRZJFS-HZPDHXFCSA-N	1	1	344.459	1.928	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245951313	139091034	/nfs/dbraw/zinc/09/10/34/139091034.db2.gz	CBSVOTUUIVLDMO-IRXDYDNUSA-N	1	1	347.484	1.891	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000246379234	139106193	/nfs/dbraw/zinc/10/61/93/139106193.db2.gz	IACFCOJAOJBQFS-CRAIPNDOSA-N	1	1	342.443	1.539	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000246645075	281196077	/nfs/dbraw/zinc/19/60/77/281196077.db2.gz	YQJIKNUQPZVOEF-HOTGVXAUSA-N	1	1	326.396	1.852	10	30		EDEEMO
COCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106108319	441326458	/nfs/dbraw/zinc/32/64/58/441326458.db2.gz	RVFPEDCREIPHGR-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106108319	441326462	/nfs/dbraw/zinc/32/64/62/441326462.db2.gz	RVFPEDCREIPHGR-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C	ZINC000106108319	441326465	/nfs/dbraw/zinc/32/64/65/441326465.db2.gz	RVFPEDCREIPHGR-HNNXBMFYSA-N	1	1	330.432	1.539	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000105929764	441317558	/nfs/dbraw/zinc/31/75/58/441317558.db2.gz	VLWNSWDIXUAMAK-KRWDZBQOSA-N	1	1	332.452	1.532	10	30		EDEEMO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000175663412	442101441	/nfs/dbraw/zinc/10/14/41/442101441.db2.gz	XQDARPHKKZIFLX-PBHICJAKSA-N	1	1	328.416	1.420	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000249890343	443008726	/nfs/dbraw/zinc/00/87/26/443008726.db2.gz	QHSLPXHOJZBDCE-CXAGYDPISA-N	1	1	331.420	1.441	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1	ZINC000249890343	443008730	/nfs/dbraw/zinc/00/87/30/443008730.db2.gz	QHSLPXHOJZBDCE-CXAGYDPISA-N	1	1	331.420	1.441	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000249905167	443008758	/nfs/dbraw/zinc/00/87/58/443008758.db2.gz	URXFYAFAULIGMZ-CABCVRRESA-N	1	1	332.452	1.486	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nncn2CC)C1	ZINC000249905167	443008763	/nfs/dbraw/zinc/00/87/63/443008763.db2.gz	URXFYAFAULIGMZ-CABCVRRESA-N	1	1	332.452	1.486	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)no1	ZINC000195518344	443027798	/nfs/dbraw/zinc/02/77/98/443027798.db2.gz	CMWHBEVITRUERT-OAHLLOKOSA-N	1	1	344.419	1.288	10	30		EDEEMO
Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)no1	ZINC000195518344	443027801	/nfs/dbraw/zinc/02/78/01/443027801.db2.gz	CMWHBEVITRUERT-OAHLLOKOSA-N	1	1	344.419	1.288	10	30		EDEEMO
C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000186015285	443297331	/nfs/dbraw/zinc/29/73/31/443297331.db2.gz	HHKZCUCAWNGPDV-XQLPTFJDSA-N	1	1	335.448	1.359	10	30		EDEEMO
CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247200469	535605325	/nfs/dbraw/zinc/60/53/25/535605325.db2.gz	OXQYCQLQNRZJFS-CVEARBPZSA-N	1	1	344.459	1.928	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C	ZINC000247200469	535605331	/nfs/dbraw/zinc/60/53/31/535605331.db2.gz	OXQYCQLQNRZJFS-CVEARBPZSA-N	1	1	344.459	1.928	10	30		EDEEMO
C=CCn1c(C)nn(CN2CC[N@@H+](CCOC)[C@@H](CC)C2)c1=S	ZINC000117325230	595629154	/nfs/dbraw/zinc/62/91/54/595629154.db2.gz	WSQPKMXVYIHJSP-HNNXBMFYSA-N	1	1	339.509	1.909	10	30		EDEEMO
CCCCOC[C@@H](O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000195183108	139009175	/nfs/dbraw/zinc/00/91/75/139009175.db2.gz	DULPOMCDWMFWTC-GJZGRUSLSA-N	1	1	333.436	1.036	10	30		EDEEMO
CCCCOC[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000195183108	139009176	/nfs/dbraw/zinc/00/91/76/139009176.db2.gz	DULPOMCDWMFWTC-GJZGRUSLSA-N	1	1	333.436	1.036	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125367236	300316215	/nfs/dbraw/zinc/31/62/15/300316215.db2.gz	RYCJSIQDSONRHS-CMPLNLGQSA-N	1	1	341.383	1.694	10	30		EDEEMO
COCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000105831688	441286095	/nfs/dbraw/zinc/28/60/95/441286095.db2.gz	YZWJBUXCJYXDFP-GJZGRUSLSA-N	1	1	330.432	1.538	10	30		EDEEMO
COCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000105831688	441286098	/nfs/dbraw/zinc/28/60/98/441286098.db2.gz	YZWJBUXCJYXDFP-GJZGRUSLSA-N	1	1	330.432	1.538	10	30		EDEEMO
CC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000106102791	441326813	/nfs/dbraw/zinc/32/68/13/441326813.db2.gz	BMPMWHVCJWAKBR-NVXWUHKLSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@@H](C)O	ZINC000106102791	441326818	/nfs/dbraw/zinc/32/68/18/441326818.db2.gz	BMPMWHVCJWAKBR-NVXWUHKLSA-N	1	1	344.459	1.664	10	30		EDEEMO
CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1C[C@@H](C)O	ZINC000106102791	441326820	/nfs/dbraw/zinc/32/68/20/441326820.db2.gz	BMPMWHVCJWAKBR-NVXWUHKLSA-N	1	1	344.459	1.664	10	30		EDEEMO
C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000105874533	441303177	/nfs/dbraw/zinc/30/31/77/441303177.db2.gz	IDEOPFDLUWZNKD-GJZGRUSLSA-N	1	1	335.473	1.191	10	30		EDEEMO
C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000105874533	441303181	/nfs/dbraw/zinc/30/31/81/441303181.db2.gz	IDEOPFDLUWZNKD-GJZGRUSLSA-N	1	1	335.473	1.191	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C#N	ZINC000150798534	441953505	/nfs/dbraw/zinc/95/35/05/441953505.db2.gz	JMRSNVMUBFABAX-BBRMVZONSA-N	1	1	328.416	1.650	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000178523261	442441069	/nfs/dbraw/zinc/44/10/69/442441069.db2.gz	XUKJIZCXAGCOAL-LRDDRELGSA-N	1	1	328.416	1.650	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000249874464	443008041	/nfs/dbraw/zinc/00/80/41/443008041.db2.gz	LBPURWGGZIWFHO-HIFRSBDPSA-N	1	1	333.436	1.641	10	30		EDEEMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000249874464	443008045	/nfs/dbraw/zinc/00/80/45/443008045.db2.gz	LBPURWGGZIWFHO-HIFRSBDPSA-N	1	1	333.436	1.641	10	30		EDEEMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195327956	443010826	/nfs/dbraw/zinc/01/08/26/443010826.db2.gz	OJOFWNWGAJVSGM-MRXNPFEDSA-N	1	1	329.448	1.653	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC	ZINC000174309739	526838824	/nfs/dbraw/zinc/83/88/24/526838824.db2.gz	DGHPMBVAHIVAMD-LSDHHAIUSA-N	1	1	348.443	1.787	10	30		EDEEMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1OC	ZINC000174309739	526838828	/nfs/dbraw/zinc/83/88/28/526838828.db2.gz	DGHPMBVAHIVAMD-LSDHHAIUSA-N	1	1	348.443	1.787	10	30		EDEEMO
CC[C@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000177054815	529301019	/nfs/dbraw/zinc/30/10/19/529301019.db2.gz	LECYJJSFTPHXHO-ROUUACIJSA-N	1	1	345.443	1.815	10	30		EDEEMO
CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccccc1	ZINC000103526279	219311905	/nfs/dbraw/zinc/31/19/05/219311905.db2.gz	MSHGLMJGKAVEEA-OBRKIGFESA-N	1	1	345.395	1.489	10	30	in-vitro	EDEEMO
CC(=O)OC[C@@H](C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccccc1	ZINC000103526279	219311908	/nfs/dbraw/zinc/31/19/08/219311908.db2.gz	MSHGLMJGKAVEEA-OBRKIGFESA-N	1	1	345.395	1.489	10	30	in-vitro	EDEEMO
CC[NH+]1CCN(CCCN2C(=O)c3ccc(OC)cc3C2C#N)CC1	ZINC000071678578	203102914	/nfs/dbraw/zinc/10/29/14/203102914.db2.gz	SJPSKFZMIWXGQO-GOSISDBHSA-N	1	1	342.443	1.743	10	30		EDEEMO
COCCN1C(=O)c2ccc(OC3CC[NH+](C)CC3)cc2[C@H]1C#N	ZINC000071682893	203104033	/nfs/dbraw/zinc/10/40/33/203104033.db2.gz	ZRGNVCXBJLPQLD-QGZVFWFLSA-N	1	1	329.400	1.826	10	30		EDEEMO
C[C@@H](O)CN1C(=O)c2ccc(OC3CC[NH+](C)CC3)cc2[C@@H]1C#N	ZINC000071682891	203104166	/nfs/dbraw/zinc/10/41/66/203104166.db2.gz	PKEWRJJUBVVKIQ-PXAZEXFGSA-N	1	1	329.400	1.561	10	30		EDEEMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000246413164	139107579	/nfs/dbraw/zinc/10/75/79/139107579.db2.gz	KEPXURYGNAAEKD-RHSMWYFYSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCOCC1	ZINC000246413164	139107580	/nfs/dbraw/zinc/10/75/80/139107580.db2.gz	KEPXURYGNAAEKD-RHSMWYFYSA-N	1	1	328.416	1.149	10	30		EDEEMO
COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1	ZINC000177267996	207312954	/nfs/dbraw/zinc/31/29/54/207312954.db2.gz	SMNHROHLWHCQPA-RDJZCZTQSA-N	1	1	345.443	1.598	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C#N	ZINC000177401905	207331119	/nfs/dbraw/zinc/33/11/19/207331119.db2.gz	ISTXNNJBAKMWRC-AWEZNQCLSA-N	1	1	326.400	1.502	10	30		EDEEMO
Cc1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1C#N	ZINC000177401905	207331124	/nfs/dbraw/zinc/33/11/24/207331124.db2.gz	ISTXNNJBAKMWRC-AWEZNQCLSA-N	1	1	326.400	1.502	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1	ZINC000247245316	533501320	/nfs/dbraw/zinc/50/13/20/533501320.db2.gz	SRLPNNCMLAUHEQ-YESZJQIVSA-N	1	1	325.497	1.577	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000052592287	132184244	/nfs/dbraw/zinc/18/42/44/132184244.db2.gz	HFRFYAIXQZKCPZ-MRXNPFEDSA-N	1	1	342.447	1.269	10	30		EDEEMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1	ZINC000329384675	290035683	/nfs/dbraw/zinc/03/56/83/290035683.db2.gz	RSUIZDUDNVDEGL-HZPDHXFCSA-N	1	1	336.480	1.370	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1CC	ZINC000105837701	441290497	/nfs/dbraw/zinc/29/04/97/441290497.db2.gz	PVPCHRRHEIISNH-GOSISDBHSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000176892051	442268275	/nfs/dbraw/zinc/26/82/75/442268275.db2.gz	WIJLMBHVMFELDK-CQSZACIVSA-N	1	1	328.416	1.748	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000176897039	442269014	/nfs/dbraw/zinc/26/90/14/442269014.db2.gz	BUGHAUVNNMBWNL-AWEZNQCLSA-N	1	1	332.379	1.579	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000178515146	442440366	/nfs/dbraw/zinc/44/03/66/442440366.db2.gz	SIPPYVZAPDIOGZ-OAHLLOKOSA-N	1	1	326.400	1.502	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000178515146	442440369	/nfs/dbraw/zinc/44/03/69/442440369.db2.gz	SIPPYVZAPDIOGZ-OAHLLOKOSA-N	1	1	326.400	1.502	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000248449032	442892870	/nfs/dbraw/zinc/89/28/70/442892870.db2.gz	HVGGALPMOAPLOH-YOEHRIQHSA-N	1	1	330.432	1.545	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1	ZINC000249206946	442960331	/nfs/dbraw/zinc/96/03/31/442960331.db2.gz	RYFYVQZUPNXKPD-IRXDYDNUSA-N	1	1	325.412	1.692	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000190110857	443059002	/nfs/dbraw/zinc/05/90/02/443059002.db2.gz	FXWSGYPEUGXFAW-HUUCEWRRSA-N	1	1	341.411	1.332	10	30		EDEEMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1	ZINC000245828053	443250215	/nfs/dbraw/zinc/25/02/15/443250215.db2.gz	QFZHQZPJCZOLNL-CVEARBPZSA-N	1	1	327.388	1.227	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@H+](Cc2cccc(C#N)c2F)C1	ZINC000888077511	590933354	/nfs/dbraw/zinc/93/33/54/590933354.db2.gz	FYECTIUVDSMWQZ-QGZVFWFLSA-N	1	1	329.379	1.395	10	30		EDEEMO
Cn1cnnc1C[C@]1(O)CCC[N@@H+](Cc2cccc(C#N)c2F)C1	ZINC000888077511	590933357	/nfs/dbraw/zinc/93/33/57/590933357.db2.gz	FYECTIUVDSMWQZ-QGZVFWFLSA-N	1	1	329.379	1.395	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113225451	201068445	/nfs/dbraw/zinc/06/84/45/201068445.db2.gz	DAWFSROTCWASNB-BXUZGUMPSA-N	1	1	346.818	1.845	10	30		EDEEMO
CS(=O)(=O)O[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000074942341	203297164	/nfs/dbraw/zinc/29/71/64/203297164.db2.gz	GEBZPCVBXSAHLQ-HZPDHXFCSA-N	1	1	325.430	1.786	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000105845595	204168182	/nfs/dbraw/zinc/16/81/82/204168182.db2.gz	MMHOPPZODTWAPM-FQEVSTJZSA-N	1	1	342.487	1.785	10	30		EDEEMO
C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246021205	139092695	/nfs/dbraw/zinc/09/26/95/139092695.db2.gz	MLPGBNZGTDDKPZ-VQIMIIECSA-N	1	1	329.444	1.980	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000246228207	281199568	/nfs/dbraw/zinc/19/95/68/281199568.db2.gz	WOGDQRGUOXUVGI-GJZGRUSLSA-N	1	1	337.420	1.945	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N	ZINC000122985307	288312511	/nfs/dbraw/zinc/31/25/11/288312511.db2.gz	WOGDQRGUOXUVGI-LSDHHAIUSA-N	1	1	337.420	1.945	10	30		EDEEMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(c2cccnn2)CC1	ZINC000105799517	441273772	/nfs/dbraw/zinc/27/37/72/441273772.db2.gz	JUTXJJCTEPQZFI-MRXNPFEDSA-N	1	1	329.448	1.578	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@H]1CC	ZINC000116768253	441842698	/nfs/dbraw/zinc/84/26/98/441842698.db2.gz	QWXZODLXYGIJGY-QGZVFWFLSA-N	1	1	345.443	1.896	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)COc2ccccc2C#N)C[C@H]1CC	ZINC000116768253	441842703	/nfs/dbraw/zinc/84/27/03/441842703.db2.gz	QWXZODLXYGIJGY-QGZVFWFLSA-N	1	1	345.443	1.896	10	30		EDEEMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)nn2)CC1	ZINC000192242241	442621380	/nfs/dbraw/zinc/62/13/80/442621380.db2.gz	OUTSXZAKXVBEAO-UHFFFAOYSA-N	1	1	345.447	1.981	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1	ZINC000188128340	442714495	/nfs/dbraw/zinc/71/44/95/442714495.db2.gz	CKVNBKHWKASRHT-VYDXJSESSA-N	1	1	335.473	1.810	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1	ZINC000188128340	442714497	/nfs/dbraw/zinc/71/44/97/442714497.db2.gz	CKVNBKHWKASRHT-VYDXJSESSA-N	1	1	335.473	1.810	10	30		EDEEMO
C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1	ZINC000176839103	527454052	/nfs/dbraw/zinc/45/40/52/527454052.db2.gz	NSUIVSNZTABZLK-YOEHRIQHSA-N	1	1	342.443	1.634	10	30		EDEEMO
CC[C@H]1CN(C(=O)c2ccccc2OCC#N)CC[N@H+]1C[C@@H](C)O	ZINC000174601218	529283838	/nfs/dbraw/zinc/28/38/38/529283838.db2.gz	UHNOBPGBQICVHT-CABCVRRESA-N	1	1	331.416	1.506	10	30		EDEEMO
C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1ncc(Cl)cn1	ZINC000072407514	216198870	/nfs/dbraw/zinc/19/88/70/216198870.db2.gz	ZFIPWTXNMJBLFO-CYBMUJFWSA-N	1	1	326.828	1.864	10	30		EDEEMO
C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1ncc(Cl)cn1	ZINC000072407514	216198872	/nfs/dbraw/zinc/19/88/72/216198872.db2.gz	ZFIPWTXNMJBLFO-CYBMUJFWSA-N	1	1	326.828	1.864	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113225453	201067804	/nfs/dbraw/zinc/06/78/04/201067804.db2.gz	DAWFSROTCWASNB-SMDDNHRTSA-N	1	1	346.818	1.845	10	30		EDEEMO
Cn1cc(CN2CCC[N@@H+](CCOc3ccc(C#N)cc3)CC2)cn1	ZINC000105868956	204171839	/nfs/dbraw/zinc/17/18/39/204171839.db2.gz	DQNVNOGFPVVQBZ-UHFFFAOYSA-N	1	1	339.443	1.878	10	30		EDEEMO
COCC[N@H+]1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000157949696	206165586	/nfs/dbraw/zinc/16/55/86/206165586.db2.gz	DYMZYYOONGDKQF-OAHLLOKOSA-N	1	1	333.432	1.598	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](CCOCC)[C@@H](C)C1	ZINC000247440368	249316666	/nfs/dbraw/zinc/31/66/66/249316666.db2.gz	ZUOIBALNOGEMBH-DLBZAZTESA-N	1	1	325.497	1.842	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000247440368	249316669	/nfs/dbraw/zinc/31/66/69/249316669.db2.gz	ZUOIBALNOGEMBH-DLBZAZTESA-N	1	1	325.497	1.842	10	30		EDEEMO
C=CCn1c(C)cc(C(=O)CN2CC[NH+](C[C@H](O)CC)CC2)c1C	ZINC000118859094	221198256	/nfs/dbraw/zinc/19/82/56/221198256.db2.gz	VHVGLQCVXPMNKQ-QGZVFWFLSA-N	1	1	333.476	1.862	10	30		EDEEMO
CC[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000118856557	264267535	/nfs/dbraw/zinc/26/75/35/264267535.db2.gz	LXQRDDCYTBWOOP-KRWDZBQOSA-N	1	1	330.432	1.275	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nncn2CC)C1	ZINC000161348406	441988900	/nfs/dbraw/zinc/98/89/00/441988900.db2.gz	URXFYAFAULIGMZ-LSDHHAIUSA-N	1	1	332.452	1.486	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nncn2CC)C1	ZINC000161348406	441988903	/nfs/dbraw/zinc/98/89/03/441988903.db2.gz	URXFYAFAULIGMZ-LSDHHAIUSA-N	1	1	332.452	1.486	10	30		EDEEMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000195515940	443027177	/nfs/dbraw/zinc/02/71/77/443027177.db2.gz	GLTGHODFHQNAAF-ZIAGYGMSSA-N	1	1	331.420	1.216	10	30		EDEEMO
C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1	ZINC000127342300	527348705	/nfs/dbraw/zinc/34/87/05/527348705.db2.gz	SQQARVZJZSGJNE-UHFFFAOYSA-N	1	1	349.479	1.713	10	30		EDEEMO
C=CCCOCCNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1	ZINC000127342300	527348709	/nfs/dbraw/zinc/34/87/09/527348709.db2.gz	SQQARVZJZSGJNE-UHFFFAOYSA-N	1	1	349.479	1.713	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000129349876	527447005	/nfs/dbraw/zinc/44/70/05/527447005.db2.gz	NQPQXQKOBDXJEP-QGZVFWFLSA-N	1	1	327.428	1.843	10	30		EDEEMO
CC[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000247154888	139137865	/nfs/dbraw/zinc/13/78/65/139137865.db2.gz	LXKDAPDFQMQTMC-KBAYOESNSA-N	1	1	347.459	1.075	10	30		EDEEMO
C=CCC[C@@H](O)C[NH+]1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000127555262	442211715	/nfs/dbraw/zinc/21/17/15/442211715.db2.gz	AATYRBHHTCCPGH-QZTJIDSGSA-N	1	1	325.497	1.040	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[NH+](C[C@H](O)CC)CC1	ZINC000188071767	442708116	/nfs/dbraw/zinc/70/81/16/442708116.db2.gz	LAFKUAHOFNCNQH-OAHLLOKOSA-N	1	1	331.416	1.619	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000190099671	443056891	/nfs/dbraw/zinc/05/68/91/443056891.db2.gz	NZVRWOVNCDIWCS-SMDDNHRTSA-N	1	1	330.363	1.331	10	30		EDEEMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000185797836	443258873	/nfs/dbraw/zinc/25/88/73/443258873.db2.gz	XPWZFPFKIREAHV-OCCSQVGLSA-N	1	1	337.445	1.574	10	30		EDEEMO
CC(=O)N[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131060445	597661632	/nfs/dbraw/zinc/66/16/32/597661632.db2.gz	QURAAVOXFJWGHT-KRWDZBQOSA-N	1	1	338.415	1.683	10	30		EDEEMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000106191068	204188206	/nfs/dbraw/zinc/18/82/06/204188206.db2.gz	GJIRRNOFECFBNB-MRXNPFEDSA-N	1	1	339.399	1.484	10	30		EDEEMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000106191068	204188210	/nfs/dbraw/zinc/18/82/10/204188210.db2.gz	GJIRRNOFECFBNB-MRXNPFEDSA-N	1	1	339.399	1.484	10	30		EDEEMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000249264992	139189875	/nfs/dbraw/zinc/18/98/75/139189875.db2.gz	ZKJMVVNTZBSBPC-HIFRSBDPSA-N	1	1	326.400	1.500	10	30		EDEEMO
C=C[C@](C)(CC)C(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000135024642	442547772	/nfs/dbraw/zinc/54/77/72/442547772.db2.gz	VXBCNTSZBATQMB-IEBWSBKVSA-N	1	1	337.508	1.842	10	30		EDEEMO
C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000195322749	443009270	/nfs/dbraw/zinc/00/92/70/443009270.db2.gz	WCTVZWHWQLJSRN-OAHLLOKOSA-N	1	1	349.456	1.071	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1	ZINC000190352036	443090403	/nfs/dbraw/zinc/09/04/03/443090403.db2.gz	RYFYVQZUPNXKPD-IAGOWNOFSA-N	1	1	325.412	1.692	10	30		EDEEMO
Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccnc(C#N)c2)CCC[N@H+]1C	ZINC000583619575	486278607	/nfs/dbraw/zinc/27/86/07/486278607.db2.gz	VFOVPNSWUUZGQT-WMLDXEAASA-N	1	1	338.415	1.500	10	30		EDEEMO
C#CCCCNC(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1	ZINC000173330824	526709745	/nfs/dbraw/zinc/70/97/45/526709745.db2.gz	GMCNXYXMJXDUMB-UHFFFAOYSA-N	1	1	331.464	1.924	10	30		EDEEMO
C#CCCCNC(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1	ZINC000173330824	526709750	/nfs/dbraw/zinc/70/97/50/526709750.db2.gz	GMCNXYXMJXDUMB-UHFFFAOYSA-N	1	1	331.464	1.924	10	30		EDEEMO
CCOCC[N@@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C	ZINC000173374738	528743961	/nfs/dbraw/zinc/74/39/61/528743961.db2.gz	YIXADSOTBPPPMR-CQSZACIVSA-N	1	1	334.424	1.371	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1C	ZINC000173374738	528743966	/nfs/dbraw/zinc/74/39/66/528743966.db2.gz	YIXADSOTBPPPMR-CQSZACIVSA-N	1	1	334.424	1.371	10	30		EDEEMO
C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246421811	139107656	/nfs/dbraw/zinc/10/76/56/139107656.db2.gz	KQSWKAPGCMRUAT-RHSMWYFYSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1N1CCOCC1	ZINC000246421811	139107657	/nfs/dbraw/zinc/10/76/57/139107657.db2.gz	KQSWKAPGCMRUAT-RHSMWYFYSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC[C@@H]1CCCN1C	ZINC000262446771	249320313	/nfs/dbraw/zinc/32/03/13/249320313.db2.gz	IYSXEWFVRRLOMX-QWRGUYRKSA-N	1	1	330.885	1.694	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000249185493	139188568	/nfs/dbraw/zinc/18/85/68/139188568.db2.gz	NZVRWOVNCDIWCS-FZMZJTMJSA-N	1	1	330.363	1.331	10	30		EDEEMO
CC[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@@H+]1CCOC	ZINC000173374772	441729184	/nfs/dbraw/zinc/72/91/84/441729184.db2.gz	YOKZFZLCSXMLBY-AWEZNQCLSA-N	1	1	334.424	1.371	10	30		EDEEMO
CC[C@H]1CN(C(=O)Nc2ccn(CCC#N)n2)CC[N@H+]1CCOC	ZINC000173374772	441729191	/nfs/dbraw/zinc/72/91/91/441729191.db2.gz	YOKZFZLCSXMLBY-AWEZNQCLSA-N	1	1	334.424	1.371	10	30		EDEEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1CCOC	ZINC000117526499	441874552	/nfs/dbraw/zinc/87/45/52/441874552.db2.gz	LHMQXZFIIGHBLR-MRXNPFEDSA-N	1	1	344.415	1.066	10	30		EDEEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000117526499	441874554	/nfs/dbraw/zinc/87/45/54/441874554.db2.gz	LHMQXZFIIGHBLR-MRXNPFEDSA-N	1	1	344.415	1.066	10	30		EDEEMO
CCOCC[N@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1CC	ZINC000120151467	442018111	/nfs/dbraw/zinc/01/81/11/442018111.db2.gz	RXIVDHIJXDCODF-OAHLLOKOSA-N	1	1	348.451	1.761	10	30		EDEEMO
C#CCCCCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000154911236	442363798	/nfs/dbraw/zinc/36/37/98/442363798.db2.gz	SFOQTDHXBSQOEM-GOSISDBHSA-N	1	1	329.444	1.851	10	30		EDEEMO
C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)CC1	ZINC000181722268	442712536	/nfs/dbraw/zinc/71/25/36/442712536.db2.gz	ZTCSZXOMCXQZDP-WBVHZDCISA-N	1	1	338.496	1.123	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000195515764	443027419	/nfs/dbraw/zinc/02/74/19/443027419.db2.gz	DWSBZQCHOMHIKI-QAPCUYQASA-N	1	1	329.448	1.870	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1	ZINC000195515764	443027420	/nfs/dbraw/zinc/02/74/20/443027420.db2.gz	DWSBZQCHOMHIKI-QAPCUYQASA-N	1	1	329.448	1.870	10	30		EDEEMO
C#CCSCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000190717299	443169253	/nfs/dbraw/zinc/16/92/53/443169253.db2.gz	COEHBRSSFOPRAZ-KRWDZBQOSA-N	1	1	346.500	1.911	10	30		EDEEMO
C=CC[NH+]1CCC(NC(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)CC1	ZINC000178090009	526429603	/nfs/dbraw/zinc/42/96/03/526429603.db2.gz	GQDANKKWGOHNNB-AWEZNQCLSA-N	1	1	348.451	1.100	10	30		EDEEMO
C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863260	526518754	/nfs/dbraw/zinc/51/87/54/526518754.db2.gz	IKJZKVLHPCDGLP-UHFFFAOYSA-N	1	1	347.507	1.704	10	30		EDEEMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863260	526518759	/nfs/dbraw/zinc/51/87/59/526518759.db2.gz	IKJZKVLHPCDGLP-UHFFFAOYSA-N	1	1	347.507	1.704	10	30		EDEEMO
N#Cc1ccc(OCC[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000105816779	204164951	/nfs/dbraw/zinc/16/49/51/204164951.db2.gz	QNDREVFMQQRBRH-UHFFFAOYSA-N	1	1	349.398	1.197	10	30		EDEEMO
CC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000106114568	204186281	/nfs/dbraw/zinc/18/62/81/204186281.db2.gz	FVIKXHVHNSQJIY-KRWDZBQOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000106114568	204186286	/nfs/dbraw/zinc/18/62/86/204186286.db2.gz	FVIKXHVHNSQJIY-KRWDZBQOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000106114568	204186292	/nfs/dbraw/zinc/18/62/92/204186292.db2.gz	FVIKXHVHNSQJIY-KRWDZBQOSA-N	1	1	344.459	1.929	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000247250520	249315465	/nfs/dbraw/zinc/31/54/65/249315465.db2.gz	TWKBTHDIQNYVTG-QZTJIDSGSA-N	1	1	333.480	1.157	10	30		EDEEMO
CC[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000248456796	139164927	/nfs/dbraw/zinc/16/49/27/139164927.db2.gz	OCGVGRLQKLOEDX-YOEHRIQHSA-N	1	1	330.432	1.545	10	30		EDEEMO
CN(C)C1(C#N)CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1	ZINC000333075177	282025040	/nfs/dbraw/zinc/02/50/40/282025040.db2.gz	VVJVVOLTXMIWBB-MRXNPFEDSA-N	1	1	333.480	1.633	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000105823443	441280252	/nfs/dbraw/zinc/28/02/52/441280252.db2.gz	ZCMAYQAIZKYCGG-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000105823443	441280254	/nfs/dbraw/zinc/28/02/54/441280254.db2.gz	ZCMAYQAIZKYCGG-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H]1C	ZINC000105823443	441280257	/nfs/dbraw/zinc/28/02/57/441280257.db2.gz	ZCMAYQAIZKYCGG-LSDHHAIUSA-N	1	1	330.432	1.274	10	30		EDEEMO
CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000161351438	441988559	/nfs/dbraw/zinc/98/85/59/441988559.db2.gz	QHCBKFQMXNCVJL-OAHLLOKOSA-N	1	1	343.435	1.133	10	30		EDEEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000161351438	441988565	/nfs/dbraw/zinc/98/85/65/441988565.db2.gz	QHCBKFQMXNCVJL-OAHLLOKOSA-N	1	1	343.435	1.133	10	30		EDEEMO
CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000128476043	442268846	/nfs/dbraw/zinc/26/88/46/442268846.db2.gz	YBCUOGUPYHTWIP-CQSZACIVSA-N	1	1	345.428	1.738	10	30		EDEEMO
C#CCCCCNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000155035828	442371834	/nfs/dbraw/zinc/37/18/34/442371834.db2.gz	YBXLSMGHHFGYAA-SFHVURJKSA-N	1	1	329.444	1.508	10	30		EDEEMO
CN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)C1(C#N)CCCCC1	ZINC000171704990	442372283	/nfs/dbraw/zinc/37/22/83/442372283.db2.gz	GPWOOLPKVDEFCG-OAHLLOKOSA-N	1	1	330.436	1.600	10	30		EDEEMO
CN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)C1(C#N)CCCCC1	ZINC000171704990	442372284	/nfs/dbraw/zinc/37/22/84/442372284.db2.gz	GPWOOLPKVDEFCG-OAHLLOKOSA-N	1	1	330.436	1.600	10	30		EDEEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)C1	ZINC000155435081	442398078	/nfs/dbraw/zinc/39/80/78/442398078.db2.gz	BHQQEUOUDZXCHL-BBRMVZONSA-N	1	1	328.416	1.133	10	30		EDEEMO
CCCCOC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1	ZINC000193376614	442737489	/nfs/dbraw/zinc/73/74/89/442737489.db2.gz	WGDIGYNOWQCOCW-INIZCTEOSA-N	1	1	335.423	1.997	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863516	528353975	/nfs/dbraw/zinc/35/39/75/528353975.db2.gz	AFFNSKMCMXPXDV-UHFFFAOYSA-N	1	1	346.479	1.041	10	30		EDEEMO
CCN(CCC#N)C(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1	ZINC000105863516	528353978	/nfs/dbraw/zinc/35/39/78/528353978.db2.gz	AFFNSKMCMXPXDV-UHFFFAOYSA-N	1	1	346.479	1.041	10	30		EDEEMO
COCC[N@H+]1CCN(CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000106108316	204185722	/nfs/dbraw/zinc/18/57/22/204185722.db2.gz	RVFPEDCREIPHGR-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000106108316	204185728	/nfs/dbraw/zinc/18/57/28/204185728.db2.gz	RVFPEDCREIPHGR-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
COCCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000106108316	204185729	/nfs/dbraw/zinc/18/57/29/204185729.db2.gz	RVFPEDCREIPHGR-OAHLLOKOSA-N	1	1	330.432	1.539	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000245440489	139075076	/nfs/dbraw/zinc/07/50/76/139075076.db2.gz	UNBUIYIFXXCBTM-KZNAEPCWSA-N	1	1	329.444	1.857	10	30		EDEEMO
COc1cc(C#N)ccc1OCCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000157941698	206165683	/nfs/dbraw/zinc/16/56/83/206165683.db2.gz	CPVUUYMVYKKVNR-HUUCEWRRSA-N	1	1	333.432	1.333	10	30		EDEEMO
Cn1cc([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000246880230	139125395	/nfs/dbraw/zinc/12/53/95/139125395.db2.gz	FXQUAUALWMKFOD-PBHICJAKSA-N	1	1	349.394	1.413	10	30		EDEEMO
Cn1cc([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000246880230	139125396	/nfs/dbraw/zinc/12/53/96/139125396.db2.gz	FXQUAUALWMKFOD-PBHICJAKSA-N	1	1	349.394	1.413	10	30		EDEEMO
C#CCCCCNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1	ZINC000154933051	442365628	/nfs/dbraw/zinc/36/56/28/442365628.db2.gz	ORUPAQNNDREFAL-UHFFFAOYSA-N	1	1	331.464	1.924	10	30		EDEEMO
C#CCCCCNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1	ZINC000154933051	442365631	/nfs/dbraw/zinc/36/56/31/442365631.db2.gz	ORUPAQNNDREFAL-UHFFFAOYSA-N	1	1	331.464	1.924	10	30		EDEEMO
C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1	ZINC000190352057	443090760	/nfs/dbraw/zinc/09/07/60/443090760.db2.gz	RYFYVQZUPNXKPD-DLBZAZTESA-N	1	1	325.412	1.692	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@@H+](CCOCC)[C@H](C)C1	ZINC000105835239	526535322	/nfs/dbraw/zinc/53/53/22/526535322.db2.gz	ZUOIBALNOGEMBH-IAGOWNOFSA-N	1	1	325.497	1.842	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000105835239	526535332	/nfs/dbraw/zinc/53/53/32/526535332.db2.gz	ZUOIBALNOGEMBH-IAGOWNOFSA-N	1	1	325.497	1.842	10	30		EDEEMO
C#CCOc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)cc1	ZINC000174618048	527095108	/nfs/dbraw/zinc/09/51/08/527095108.db2.gz	ZYOPZJJDPLVAOY-NVXWUHKLSA-N	1	1	330.428	1.616	10	30		EDEEMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1	ZINC000171626823	527256343	/nfs/dbraw/zinc/25/63/43/527256343.db2.gz	PDJBLGOOUSQIHD-QZTJIDSGSA-N	1	1	346.471	1.943	10	30		EDEEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000129508093	527975956	/nfs/dbraw/zinc/97/59/56/527975956.db2.gz	NDKGYWBXCSYKTE-OAHLLOKOSA-N	1	1	346.406	1.872	10	30		EDEEMO
CCOC(=O)N1CCN(c2noc([C@H]([NH3+])C(C)(C)S)n2)CC1	ZINC000757120747	579964667	/nfs/dbraw/zinc/96/46/67/579964667.db2.gz	HSPIBBHQRKTAHX-VIFPVBQESA-N	1	1	329.426	1.056	10	30		EDEEMO
C#CCOc1ccc(C(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)cc1	ZINC000121397200	594588701	/nfs/dbraw/zinc/58/87/01/594588701.db2.gz	NBRNZBURSJWIJT-MRXNPFEDSA-N	1	1	330.428	1.881	10	30		EDEEMO
C#CCOc1ccc(C(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)cc1	ZINC000121397200	594588702	/nfs/dbraw/zinc/58/87/02/594588702.db2.gz	NBRNZBURSJWIJT-MRXNPFEDSA-N	1	1	330.428	1.881	10	30		EDEEMO
C[NH+]=C(NCCN(C)C1CCCC1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153301261	695617759	/nfs/dbraw/zinc/61/77/59/695617759.db2.gz	IQXXMNGTCGGGSI-QGZVFWFLSA-N	1	1	348.495	1.243	10	30		EDEEMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000246747586	139120180	/nfs/dbraw/zinc/12/01/80/139120180.db2.gz	BFJNJTDCOYVEEK-DZGCQCFKSA-N	1	1	331.416	1.791	10	30		EDEEMO
CCn1cnnc1C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000105929693	441317028	/nfs/dbraw/zinc/31/70/28/441317028.db2.gz	AOPOASXDPVVXBA-UHFFFAOYSA-N	1	1	344.463	1.820	10	30		EDEEMO
CCOCC[N@@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1CC	ZINC000150768490	441946909	/nfs/dbraw/zinc/94/69/09/441946909.db2.gz	RXYDDSFTZMGJGM-AWEZNQCLSA-N	1	1	333.392	1.799	10	30		EDEEMO
CCOCC[N@H+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C[C@@H]1CC	ZINC000150768490	441946915	/nfs/dbraw/zinc/94/69/15/441946915.db2.gz	RXYDDSFTZMGJGM-AWEZNQCLSA-N	1	1	333.392	1.799	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000150772475	441947221	/nfs/dbraw/zinc/94/72/21/441947221.db2.gz	GXQXWIBRQCOOMV-ABAIWWIYSA-N	1	1	332.379	1.481	10	30		EDEEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000172261909	442432366	/nfs/dbraw/zinc/43/23/66/442432366.db2.gz	HLVXVBSHAUYWIU-GDBMZVCRSA-N	1	1	328.416	1.967	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1	ZINC000188083680	442709077	/nfs/dbraw/zinc/70/90/77/442709077.db2.gz	NKPNGIWEMMLFKS-OAHLLOKOSA-N	1	1	331.416	1.883	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1	ZINC000188083680	442709078	/nfs/dbraw/zinc/70/90/78/442709078.db2.gz	NKPNGIWEMMLFKS-OAHLLOKOSA-N	1	1	331.416	1.883	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1)C1CC1	ZINC000188108338	442712386	/nfs/dbraw/zinc/71/23/86/442712386.db2.gz	FYLWPXCUTQLMJN-UKPHBRMFSA-N	1	1	333.457	1.564	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1)C1CC1	ZINC000188108338	442712389	/nfs/dbraw/zinc/71/23/89/442712389.db2.gz	FYLWPXCUTQLMJN-UKPHBRMFSA-N	1	1	333.457	1.564	10	30		EDEEMO
CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1CO	ZINC000248291421	442886696	/nfs/dbraw/zinc/88/66/96/442886696.db2.gz	TYXAKMAAZJJHCB-XDNAFOTISA-N	1	1	331.497	1.667	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000249874471	443008220	/nfs/dbraw/zinc/00/82/20/443008220.db2.gz	LBPURWGGZIWFHO-ZFWWWQNUSA-N	1	1	333.436	1.641	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1	ZINC000249874471	443008222	/nfs/dbraw/zinc/00/82/22/443008222.db2.gz	LBPURWGGZIWFHO-ZFWWWQNUSA-N	1	1	333.436	1.641	10	30		EDEEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000190343154	443088515	/nfs/dbraw/zinc/08/85/15/443088515.db2.gz	VZPQARGMXNRGAC-LSDHHAIUSA-N	1	1	340.427	1.890	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000174738056	529055631	/nfs/dbraw/zinc/05/56/31/529055631.db2.gz	RAVKXOUNVLLZSE-QGZVFWFLSA-N	1	1	329.448	1.184	10	30		EDEEMO
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](CC)C2)c1	ZINC000067377486	215137825	/nfs/dbraw/zinc/13/78/25/215137825.db2.gz	LLBYJYMPDHOAKB-HNNXBMFYSA-N	1	1	331.416	1.790	10	30		EDEEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1C	ZINC000128619996	237193749	/nfs/dbraw/zinc/19/37/49/237193749.db2.gz	BHFFPZICGBYVEK-HUUCEWRRSA-N	1	1	331.416	1.045	10	30		EDEEMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000245782010	139086158	/nfs/dbraw/zinc/08/61/58/139086158.db2.gz	CPBMTGJPWNVULJ-ZDUSSCGKSA-N	1	1	325.821	1.680	10	30		EDEEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@@H+]1CCOC	ZINC000117526283	221074317	/nfs/dbraw/zinc/07/43/17/221074317.db2.gz	XRQHHDSYFFAWBR-INIZCTEOSA-N	1	1	344.415	1.066	10	30		EDEEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000117526283	221074320	/nfs/dbraw/zinc/07/43/20/221074320.db2.gz	XRQHHDSYFFAWBR-INIZCTEOSA-N	1	1	344.415	1.066	10	30		EDEEMO
Cn1cc(CN2CCC[N@@H+](CCOc3ccccc3C#N)CC2)cn1	ZINC000105869996	441300898	/nfs/dbraw/zinc/30/08/98/441300898.db2.gz	ATQUULYKMMFZFY-UHFFFAOYSA-N	1	1	339.443	1.878	10	30		EDEEMO
Cn1cc(C[N@@H+]2CCCN(CCOc3ccccc3C#N)CC2)cn1	ZINC000105869996	441300902	/nfs/dbraw/zinc/30/09/02/441300902.db2.gz	ATQUULYKMMFZFY-UHFFFAOYSA-N	1	1	339.443	1.878	10	30		EDEEMO
Cn1cc(C[N@H+]2CCCN(CCOc3ccccc3C#N)CC2)cn1	ZINC000105869996	441300911	/nfs/dbraw/zinc/30/09/11/441300911.db2.gz	ATQUULYKMMFZFY-UHFFFAOYSA-N	1	1	339.443	1.878	10	30		EDEEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000150772264	441947753	/nfs/dbraw/zinc/94/77/53/441947753.db2.gz	ZFFWDSMZOIMZQU-ABAIWWIYSA-N	1	1	332.379	1.481	10	30		EDEEMO
CCCCOC[C@H](O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1	ZINC000193371305	442736430	/nfs/dbraw/zinc/73/64/30/442736430.db2.gz	IRMIGHMFGCZUQU-OAHLLOKOSA-N	1	1	335.423	1.997	10	30		EDEEMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000193106483	442714097	/nfs/dbraw/zinc/71/40/97/442714097.db2.gz	FCUVFIHZIVWDRW-CQSZACIVSA-N	1	1	343.431	1.360	10	30		EDEEMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1	ZINC000105806583	526521715	/nfs/dbraw/zinc/52/17/15/526521715.db2.gz	OPPRRQFGUWHVAY-UHFFFAOYSA-N	1	1	331.464	1.802	10	30		EDEEMO
CCOCC[N@H+]1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CC	ZINC000105837809	528748144	/nfs/dbraw/zinc/74/81/44/528748144.db2.gz	ZSKTZYKJGPXUFE-WMZOPIPTSA-N	1	1	338.496	1.474	10	30		EDEEMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)Cc1ccc(C#N)nc1)C2	ZINC000888094600	591024794	/nfs/dbraw/zinc/02/47/94/591024794.db2.gz	FCHQWCLIFZJZIT-RWQQGDIJSA-N	1	1	342.443	1.092	10	30		EDEEMO
N#CCOc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)cc1	ZINC000818525393	593702862	/nfs/dbraw/zinc/70/28/62/593702862.db2.gz	PZLCSCIMEXYMRV-JQHSSLGASA-N	1	1	343.427	1.235	10	30		EDEEMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](N4CCOCC4)C3)o2)cc1	ZINC000173921545	231071426	/nfs/dbraw/zinc/07/14/26/231071426.db2.gz	ZLJRGWDOMLMSOK-INIZCTEOSA-N	1	1	339.399	1.515	10	30		EDEEMO
N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](N4CCOCC4)C3)o2)cc1	ZINC000173921545	231071430	/nfs/dbraw/zinc/07/14/30/231071430.db2.gz	ZLJRGWDOMLMSOK-INIZCTEOSA-N	1	1	339.399	1.515	10	30		EDEEMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1)C1CC1	ZINC000105804808	237069898	/nfs/dbraw/zinc/06/98/98/237069898.db2.gz	FUMJGIGYDXSNBB-QGZVFWFLSA-N	1	1	328.420	1.161	10	30		EDEEMO
C=CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1	ZINC000072409708	216200876	/nfs/dbraw/zinc/20/08/76/216200876.db2.gz	OLYFTILSKZXSQP-AWEZNQCLSA-N	1	1	335.452	1.276	10	30		EDEEMO
C=CCC[C@@H](C[N@H+](C)CC(=O)N(C)C)Oc1cncc(N(C)C)n1	ZINC000072409708	216200878	/nfs/dbraw/zinc/20/08/78/216200878.db2.gz	OLYFTILSKZXSQP-AWEZNQCLSA-N	1	1	335.452	1.276	10	30		EDEEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000249110250	139185999	/nfs/dbraw/zinc/18/59/99/139185999.db2.gz	ANSPOCVRHKYVRL-CABCVRRESA-N	1	1	344.390	1.721	10	30		EDEEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192738809	266143899	/nfs/dbraw/zinc/14/38/99/266143899.db2.gz	HLOIHINYTJNCGY-CQSZACIVSA-N	1	1	345.447	1.654	10	30		EDEEMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+](C[C@H](O)CC)CC1	ZINC000136838145	441728092	/nfs/dbraw/zinc/72/80/92/441728092.db2.gz	SZTPEIPXHQKKGU-OAHLLOKOSA-N	1	1	349.406	1.758	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cc3ccc(C#N)o3)CC2)C1	ZINC000121039953	442169773	/nfs/dbraw/zinc/16/97/73/442169773.db2.gz	QLIVNYQEAUWGCB-SFHVURJKSA-N	1	1	332.448	1.378	10	30		EDEEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3cc(C#N)cs3)CC2)C1	ZINC000121067476	442173073	/nfs/dbraw/zinc/17/30/73/442173073.db2.gz	CFLYOQYBVCMLII-QGZVFWFLSA-N	1	1	348.516	1.847	10	30		EDEEMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1N1CCOCC1	ZINC000177220963	442315330	/nfs/dbraw/zinc/31/53/30/442315330.db2.gz	OHVUIGRELPMKOS-YJBOKZPZSA-N	1	1	342.443	1.539	10	30		EDEEMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190109902	443058792	/nfs/dbraw/zinc/05/87/92/443058792.db2.gz	JNLMQTRWGCQMRX-WFASDCNBSA-N	1	1	326.400	1.500	10	30		EDEEMO
CN(C(=O)C(F)(F)F)c1ccc(N2CC[NH+](C)CC2)c(C#N)c1	ZINC000226280308	443121536	/nfs/dbraw/zinc/12/15/36/443121536.db2.gz	BAPXVCDTOTUGGQ-UHFFFAOYSA-N	1	1	326.322	1.835	10	30		EDEEMO
C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000185039528	443123944	/nfs/dbraw/zinc/12/39/44/443123944.db2.gz	NQHUJBUFKMKVQS-HOCLYGCPSA-N	1	1	343.427	1.482	10	30		EDEEMO
C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000173804659	533829266	/nfs/dbraw/zinc/82/92/66/533829266.db2.gz	IWZSBCNBNSYHIF-MAUKXSAKSA-N	1	1	327.428	1.670	10	30		EDEEMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2cccnn2)CC1	ZINC000105804805	527928318	/nfs/dbraw/zinc/92/83/18/527928318.db2.gz	VYXHMZZOFALMNT-KRWDZBQOSA-N	1	1	330.436	1.407	10	30		EDEEMO
CC[NH+]=C(NC[C@@H]1CCCCN1CC)N[C@@H]1CCc2ncnn2C1	ZINC000131692785	597729779	/nfs/dbraw/zinc/72/97/79/597729779.db2.gz	ISSMFCZMRUSNNX-CABCVRRESA-N	1	1	333.484	1.022	10	30		EDEEMO
CCOCC[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134228	139137065	/nfs/dbraw/zinc/13/70/65/139137065.db2.gz	KNZNVQRFCUYNLP-AEFFLSMTSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCOCCN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134228	139137066	/nfs/dbraw/zinc/13/70/66/139137066.db2.gz	KNZNVQRFCUYNLP-AEFFLSMTSA-N	1	1	347.459	1.341	10	30		EDEEMO
CCOCCN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134228	139137067	/nfs/dbraw/zinc/13/70/67/139137067.db2.gz	KNZNVQRFCUYNLP-AEFFLSMTSA-N	1	1	347.459	1.341	10	30		EDEEMO
C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCOCC1	ZINC000246496750	288136427	/nfs/dbraw/zinc/13/64/27/288136427.db2.gz	PRZHAIMFRYQCCA-IAGOWNOFSA-N	1	1	348.491	1.324	10	30		EDEEMO
Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000105901649	441313373	/nfs/dbraw/zinc/31/33/73/441313373.db2.gz	RDIFXBKXEUAPBC-MRXNPFEDSA-N	1	1	328.420	1.484	10	30		EDEEMO
Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000105901649	441313374	/nfs/dbraw/zinc/31/33/74/441313374.db2.gz	RDIFXBKXEUAPBC-MRXNPFEDSA-N	1	1	328.420	1.484	10	30		EDEEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000176005136	442160449	/nfs/dbraw/zinc/16/04/49/442160449.db2.gz	SWUYXPVWFSQEGG-AWEZNQCLSA-N	1	1	332.379	1.579	10	30		EDEEMO
N#Cc1ccc(NC2CC[NH+](CC(N)=O)CC2)c(Br)c1	ZINC000134580868	442497105	/nfs/dbraw/zinc/49/71/05/442497105.db2.gz	FETYXYJDCRLYLB-UHFFFAOYSA-N	1	1	337.221	1.682	10	30		EDEEMO
C=CCSCCNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000194628155	442926678	/nfs/dbraw/zinc/92/66/78/442926678.db2.gz	RJVDYUGTEVKDOO-KRWDZBQOSA-N	1	1	349.500	1.624	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1	ZINC000583617347	448443394	/nfs/dbraw/zinc/44/33/94/448443394.db2.gz	XJVUDSWIXOVDOU-LJQANCHMSA-N	1	1	348.410	1.620	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@](O)(c2c[nH]nn2)C1	ZINC000583617347	448443400	/nfs/dbraw/zinc/44/34/00/448443400.db2.gz	XJVUDSWIXOVDOU-LJQANCHMSA-N	1	1	348.410	1.620	10	30		EDEEMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CC[C@](O)(c2c[nH]nn2)C1	ZINC000583617347	448443408	/nfs/dbraw/zinc/44/34/08/448443408.db2.gz	XJVUDSWIXOVDOU-LJQANCHMSA-N	1	1	348.410	1.620	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869696	526536531	/nfs/dbraw/zinc/53/65/31/526536531.db2.gz	NPIKNXAYDDTLOL-QGZVFWFLSA-N	1	1	347.507	1.741	10	30		EDEEMO
COC1=C[C@]23CC[N@H+](C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O	ZINC000030726833	560090779	/nfs/dbraw/zinc/09/07/79/560090779.db2.gz	HTAGIZQYGRLQQX-AUUYWEPGSA-N	1	1	325.364	1.953	10	30	biogenic,in-vitro	EDEEMO
COC1=C[C@]23CC[N@@H+](C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O	ZINC000030726833	560090780	/nfs/dbraw/zinc/09/07/80/560090780.db2.gz	HTAGIZQYGRLQQX-AUUYWEPGSA-N	1	1	325.364	1.953	10	30	biogenic,in-vitro	EDEEMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000173943591	231075902	/nfs/dbraw/zinc/07/59/02/231075902.db2.gz	VUEIPUUTIMWXLV-CQSZACIVSA-N	1	1	334.445	1.355	10	30		EDEEMO
Cc1c(C(=O)Nc2cccnc2)oc2c1C(=NNC(N)=[NH2+])CCC2	ZINC000040824866	213390434	/nfs/dbraw/zinc/39/04/34/213390434.db2.gz	XCOOMBOKRBVEFQ-SRZZPIQSSA-N	1	1	326.360	1.759	10	30		EDEEMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CCCO1	ZINC000036099788	540122249	/nfs/dbraw/zinc/12/22/49/540122249.db2.gz	JUPFJRSWWAVBGL-SJORKVTESA-N	1	1	339.382	1.957	10	30		EDEEMO
C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CCCO1	ZINC000036099788	540122250	/nfs/dbraw/zinc/12/22/50/540122250.db2.gz	JUPFJRSWWAVBGL-SJORKVTESA-N	1	1	339.382	1.957	10	30		EDEEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(OCC#N)cc1	ZINC000247069238	249314318	/nfs/dbraw/zinc/31/43/18/249314318.db2.gz	HLVXVBSHAUYWIU-HOCLYGCPSA-N	1	1	328.416	1.967	10	30		EDEEMO
C=CCC[C@H](C[NH+]1CCN(C(C)=O)CC1)Oc1ccc(C#N)cn1	ZINC000072422851	441231001	/nfs/dbraw/zinc/23/10/01/441231001.db2.gz	LLHFJRNRJBUOOK-QGZVFWFLSA-N	1	1	328.416	1.831	10	30		EDEEMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177231915	442317345	/nfs/dbraw/zinc/31/73/45/442317345.db2.gz	KEPXURYGNAAEKD-PBHICJAKSA-N	1	1	328.416	1.149	10	30		EDEEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1	ZINC000177231915	442317347	/nfs/dbraw/zinc/31/73/47/442317347.db2.gz	KEPXURYGNAAEKD-PBHICJAKSA-N	1	1	328.416	1.149	10	30		EDEEMO
N#Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000171586991	442359516	/nfs/dbraw/zinc/35/95/16/442359516.db2.gz	BCEBZDXXDUAUOL-ZDUSSCGKSA-N	1	1	332.791	1.457	10	30		EDEEMO
C=CCOCCCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000173093182	442601971	/nfs/dbraw/zinc/60/19/71/442601971.db2.gz	QQOPMKAAACJEIK-SFHVURJKSA-N	1	1	332.444	1.847	10	30		EDEEMO
CCOCC[N@H+]1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C	ZINC000246528100	442789730	/nfs/dbraw/zinc/78/97/30/442789730.db2.gz	RUPSWBJIXWHYGR-CRAIPNDOSA-N	1	1	345.443	1.815	10	30		EDEEMO
CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249681839	442999343	/nfs/dbraw/zinc/99/93/43/442999343.db2.gz	DUGLHLFRAHGNQY-QXCFYTAISA-N	1	1	348.491	1.906	10	30		EDEEMO
CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249681839	442999345	/nfs/dbraw/zinc/99/93/45/442999345.db2.gz	DUGLHLFRAHGNQY-QXCFYTAISA-N	1	1	348.491	1.906	10	30		EDEEMO
N#Cc1ccc(C[N@H+]2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)o1	ZINC000818187311	593679861	/nfs/dbraw/zinc/67/98/61/593679861.db2.gz	FZMKQMIZWMLPIB-QGZVFWFLSA-N	1	1	328.372	1.981	10	30		EDEEMO
N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)o1	ZINC000818187311	593679862	/nfs/dbraw/zinc/67/98/62/593679862.db2.gz	FZMKQMIZWMLPIB-QGZVFWFLSA-N	1	1	328.372	1.981	10	30		EDEEMO
C#CCSCCNC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1	ZINC000121476224	595015783	/nfs/dbraw/zinc/01/57/83/595015783.db2.gz	GNASLGCHGJANQR-OAHLLOKOSA-N	1	1	327.494	1.495	10	30		EDEEMO
CCOCC[N@H+]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C	ZINC000245758869	139085412	/nfs/dbraw/zinc/08/54/12/139085412.db2.gz	PEMLABKIADJCKF-OAHLLOKOSA-N	1	1	327.432	1.749	10	30		EDEEMO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)o1	ZINC000122690886	222138898	/nfs/dbraw/zinc/13/88/98/222138898.db2.gz	FSNYGCUXYWKTDG-INIZCTEOSA-N	1	1	341.411	1.709	10	30		EDEEMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2cccnn2)CC1	ZINC000105799532	441273839	/nfs/dbraw/zinc/27/38/39/441273839.db2.gz	JVOUCXUIOTYRAZ-INIZCTEOSA-N	1	1	331.464	1.802	10	30		EDEEMO
C#CC[NH+]1CCC(C(=O)N2CCN(CCOCC)[C@H](CC)C2)CC1	ZINC000116769092	441842782	/nfs/dbraw/zinc/84/27/82/441842782.db2.gz	PCAGBHBXAVNCPI-GOSISDBHSA-N	1	1	335.492	1.291	10	30		EDEEMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152565416	442226416	/nfs/dbraw/zinc/22/64/16/442226416.db2.gz	YKNCVDCYIJWFJY-QFBILLFUSA-N	1	1	339.395	1.846	10	30		EDEEMO
COc1cc(C#N)ccc1OCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000157941849	442630359	/nfs/dbraw/zinc/63/03/59/442630359.db2.gz	CPVUUYMVYKKVNR-LSDHHAIUSA-N	1	1	333.432	1.333	10	30		EDEEMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000181897206	442720987	/nfs/dbraw/zinc/72/09/87/442720987.db2.gz	GQWXLGHSGVBDLQ-ZIAGYGMSSA-N	1	1	342.399	1.223	10	30		EDEEMO
COCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247226610	442842155	/nfs/dbraw/zinc/84/21/55/442842155.db2.gz	QUZZQEKOLSTMKB-HUUCEWRRSA-N	1	1	330.432	1.538	10	30		EDEEMO
COCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)C[C@H]1C	ZINC000247226610	442842159	/nfs/dbraw/zinc/84/21/59/442842159.db2.gz	QUZZQEKOLSTMKB-HUUCEWRRSA-N	1	1	330.432	1.538	10	30		EDEEMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000248535858	442899194	/nfs/dbraw/zinc/89/91/94/442899194.db2.gz	GQWXLGHSGVBDLQ-KBPBESRZSA-N	1	1	342.399	1.223	10	30		EDEEMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Nc2cccnn2)CC1	ZINC000105805788	528619152	/nfs/dbraw/zinc/61/91/52/528619152.db2.gz	MMOIZUXVYPQAAH-AWEZNQCLSA-N	1	1	330.436	1.361	10	30		EDEEMO