smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C[C@H]1c2cc(C(F)(F)F)ccc2C(=O)N1[C@H]1CCS(=O)(=O)C1	ZINC000071681030	203102880	/nfs/dbraw/zinc/10/28/80/203102880.db2.gz	XLYKVTZOYLLDRH-CABZTGNLSA-N	0	1	344.314	1.913	10	30		EDEEMN
CCOCCN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134265	139137149	/nfs/dbraw/zinc/13/71/49/139137149.db2.gz	KNZNVQRFCUYNLP-SJLPKXTDSA-N	0	1	347.459	1.341	10	30		EDEEMN
CC[C@@H](O)CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000174070741	206983630	/nfs/dbraw/zinc/98/36/30/206983630.db2.gz	OGFOSUQOXXAGAH-MRXNPFEDSA-N	0	1	341.415	1.497	10	30		EDEEMN
CC[C@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000118858627	221197388	/nfs/dbraw/zinc/19/73/88/221197388.db2.gz	MJWAPCYSQIANNU-HOCLYGCPSA-N	0	1	330.432	1.274	10	30		EDEEMN
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCN1CCOC	ZINC000117493329	441874848	/nfs/dbraw/zinc/87/48/48/441874848.db2.gz	IFQLNDUCYFXXAC-MRXNPFEDSA-N	0	1	348.422	1.950	10	30		EDEEMN
C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000122542140	441853814	/nfs/dbraw/zinc/85/38/14/441853814.db2.gz	CXNJRCZWLHMNEO-CHWSQXEVSA-N	0	1	337.445	1.501	10	30		EDEEMN
C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163252050	442153863	/nfs/dbraw/zinc/15/38/63/442153863.db2.gz	ZHEIJUPCJFPSHH-PXAZEXFGSA-N	0	1	349.456	1.549	10	30		EDEEMN
CC[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000180832403	442664153	/nfs/dbraw/zinc/66/41/53/442664153.db2.gz	CBSVOTUUIVLDMO-DLBZAZTESA-N	0	1	347.484	1.891	10	30		EDEEMN
CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000245780388	443249074	/nfs/dbraw/zinc/24/90/74/443249074.db2.gz	BYLGZLINZHWCKF-BXUZGUMPSA-N	0	1	325.409	1.704	10	30		EDEEMN
CC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCN1C[C@@H](C)O	ZINC000174610691	529270573	/nfs/dbraw/zinc/27/05/73/529270573.db2.gz	PJMCAONHOVSJMO-WBVHZDCISA-N	0	1	345.443	1.435	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@@H]1C	ZINC000128620208	237195319	/nfs/dbraw/zinc/19/53/19/237195319.db2.gz	BHFFPZICGBYVEK-LSDHHAIUSA-N	0	1	331.416	1.045	10	30		EDEEMN
N#C[C@@H]1c2cc(C(F)(F)F)ccc2C(=O)N1[C@@H]1CCS(=O)(=O)C1	ZINC000071681029	203102204	/nfs/dbraw/zinc/10/22/04/203102204.db2.gz	XLYKVTZOYLLDRH-BXKDBHETSA-N	0	1	344.314	1.913	10	30		EDEEMN
COc1cc2c(c(OC)c1OC)C(=O)N(C[C@@H]1CCCO1)[C@H]2C#N	ZINC000071682357	203102471	/nfs/dbraw/zinc/10/24/71/203102471.db2.gz	ODOIMJKDCJITKF-JQWIXIFHSA-N	0	1	332.356	1.912	10	30		EDEEMN
COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1	ZINC000156969796	206109676	/nfs/dbraw/zinc/10/96/76/206109676.db2.gz	HTSGEDQVDZFLBX-OAHLLOKOSA-N	0	1	348.355	1.890	10	30		EDEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247104798	139135680	/nfs/dbraw/zinc/13/56/80/139135680.db2.gz	IKXVINFWIUELLT-HUUCEWRRSA-N	0	1	338.415	1.889	10	30		EDEEMN
CCc1nc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173737451	441831915	/nfs/dbraw/zinc/83/19/15/441831915.db2.gz	JPROFLPBTBBQOF-CYBMUJFWSA-N	0	1	347.400	1.001	10	30		EDEEMN
[NH3+]CCc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1	ZINC000039291968	527196513	/nfs/dbraw/zinc/19/65/13/527196513.db2.gz	NYLHFSLGOJDWNQ-UHFFFAOYSA-N	0	1	325.434	1.713	10	30	in-vitro	EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000248657895	536885139	/nfs/dbraw/zinc/88/51/39/536885139.db2.gz	XPWZFPFKIREAHV-TZMCWYRMSA-N	0	1	337.445	1.574	10	30		EDEEMN
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)c1	ZINC000067377489	201159135	/nfs/dbraw/zinc/15/91/35/201159135.db2.gz	LLBYJYMPDHOAKB-OAHLLOKOSA-N	0	1	331.416	1.790	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@H]1c1nnc[nH]1	ZINC000185887150	286192198	/nfs/dbraw/zinc/19/21/98/286192198.db2.gz	SGSPUGHWSYVVLO-LBPRGKRZSA-N	0	1	347.400	1.601	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCN1CCOC	ZINC000117493333	441873842	/nfs/dbraw/zinc/87/38/42/441873842.db2.gz	IFQLNDUCYFXXAC-INIZCTEOSA-N	0	1	348.422	1.950	10	30		EDEEMN
C=CCN(C)S(=O)(=O)c1cc(CNCC)oc1Br	ZINC000166041668	527576870	/nfs/dbraw/zinc/57/68/70/527576870.db2.gz	ACZOMHFNYIOOQU-UHFFFAOYSA-N	0	1	337.239	1.958	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803555	527624894	/nfs/dbraw/zinc/62/48/94/527624894.db2.gz	JRRYNXCBOZIBBY-IAGOWNOFSA-N	0	1	343.475	1.966	10	30		EDEEMN
C=C(Br)CNC(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000184969091	698726425	/nfs/dbraw/zinc/72/64/25/698726425.db2.gz	VXHQGARJXCZABG-VXGBXAGGSA-N	0	1	334.258	1.382	10	30		EDEEMN
C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000120162040	442020669	/nfs/dbraw/zinc/02/06/69/442020669.db2.gz	OQIAXBOKNOTFRA-CQSZACIVSA-N	0	1	336.457	1.941	10	30		EDEEMN
CCc1noc([C@H](C)N2CCN(CCC(=O)N(C)CCC#N)CC2)n1	ZINC000131516107	442373647	/nfs/dbraw/zinc/37/36/47/442373647.db2.gz	MAOPRHYTUKEQLN-AWEZNQCLSA-N	0	1	348.451	1.073	10	30		EDEEMN
C=C(Br)CNC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000175454646	697753303	/nfs/dbraw/zinc/75/33/03/697753303.db2.gz	DNLKJCIKNZUHTN-VIFPVBQESA-N	0	1	330.186	1.105	10	30		EDEEMN
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1	ZINC000067377507	201159434	/nfs/dbraw/zinc/15/94/34/201159434.db2.gz	PLYYKVKPLOHSCN-CQSZACIVSA-N	0	1	344.415	1.496	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)c3ccc(C#N)cc3C)CCO2)n[nH]1	ZINC000126130863	205041729	/nfs/dbraw/zinc/04/17/29/205041729.db2.gz	XUYIITBLEFMELF-CQSZACIVSA-N	0	1	325.372	1.761	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000118859004	280208497	/nfs/dbraw/zinc/20/84/97/280208497.db2.gz	XOWKZSGSYKIPST-RHSMWYFYSA-N	0	1	330.432	1.274	10	30		EDEEMN
C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000122541504	441853714	/nfs/dbraw/zinc/85/37/14/441853714.db2.gz	CXNJRCZWLHMNEO-STQMWFEESA-N	0	1	337.445	1.501	10	30		EDEEMN
C#CCCCCC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000119813380	441957608	/nfs/dbraw/zinc/95/76/08/441957608.db2.gz	RQJHEHGPLUUHJJ-GOSISDBHSA-N	0	1	335.492	1.433	10	30		EDEEMN
CC[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C[C@H](C)O	ZINC000246302499	535825140	/nfs/dbraw/zinc/82/51/40/535825140.db2.gz	CBRMFKBMICNLCG-GOEBONIOSA-N	0	1	344.411	1.070	10	30		EDEEMN
Cc1nc([C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3C#N)CCO2)n[nH]1	ZINC000173677432	231003059	/nfs/dbraw/zinc/00/30/59/231003059.db2.gz	JFIHNWOCTUAUIB-ZDUSSCGKSA-N	0	1	344.375	1.207	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)n[nH]1	ZINC000173518801	237260355	/nfs/dbraw/zinc/26/03/55/237260355.db2.gz	MPGSPMDKUQDBRH-HNNXBMFYSA-N	0	1	341.371	1.158	10	30		EDEEMN
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](Cn2cncn2)C1	ZINC000105882655	204175526	/nfs/dbraw/zinc/17/55/26/204175526.db2.gz	IKXVINFWIUELLT-CABCVRRESA-N	0	1	338.415	1.889	10	30		EDEEMN
COCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000157949839	206165059	/nfs/dbraw/zinc/16/50/59/206165059.db2.gz	DYMZYYOONGDKQF-HNNXBMFYSA-N	0	1	333.432	1.598	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000247140386	139137455	/nfs/dbraw/zinc/13/74/55/139137455.db2.gz	KXLHMKQJDRGDRR-RLFYNMQTSA-N	0	1	344.459	1.662	10	30		EDEEMN
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000249155612	139187957	/nfs/dbraw/zinc/18/79/57/139187957.db2.gz	IGEAIGDJNRTTBP-CABCVRRESA-N	0	1	344.390	1.721	10	30		EDEEMN
C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000174083866	533436478	/nfs/dbraw/zinc/43/64/78/533436478.db2.gz	GVYYGELRNQWXLO-WBVHZDCISA-N	0	1	330.432	1.242	10	30		EDEEMN
CCOCCN1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C	ZINC000120876548	442145115	/nfs/dbraw/zinc/14/51/15/442145115.db2.gz	PEMLABKIADJCKF-HNNXBMFYSA-N	0	1	327.432	1.749	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1	ZINC000177083562	442295682	/nfs/dbraw/zinc/29/56/82/442295682.db2.gz	CRPLEQBJAMGMKF-IAGOWNOFSA-N	0	1	331.416	1.161	10	30		EDEEMN
CCc1nc([C@@H]2CN(c3nccc(C#N)c3[N+](=O)[O-])CCO2)n[nH]1	ZINC000131550930	442374519	/nfs/dbraw/zinc/37/45/19/442374519.db2.gz	MCDYUHUYNNMVEV-JTQLQIEISA-N	0	1	329.320	1.120	10	30		EDEEMN
CC[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000247009897	536131980	/nfs/dbraw/zinc/13/19/80/536131980.db2.gz	CAJYQZMZCRFBHH-YOEHRIQHSA-N	0	1	330.432	1.274	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)n[nH]1	ZINC000173534501	237261483	/nfs/dbraw/zinc/26/14/83/237261483.db2.gz	FLKUVUOFKDHUFP-CQSZACIVSA-N	0	1	327.344	1.229	10	30		EDEEMN
COc1cc2c(c(OC)c1OC)C(=O)N(C[C@H]1CCCO1)[C@H]2C#N	ZINC000071682359	203102667	/nfs/dbraw/zinc/10/26/67/203102667.db2.gz	ODOIMJKDCJITKF-PWSUYJOCSA-N	0	1	332.356	1.912	10	30		EDEEMN
C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCOCC1	ZINC000246496729	249309936	/nfs/dbraw/zinc/30/99/36/249309936.db2.gz	PRZHAIMFRYQCCA-DLBZAZTESA-N	0	1	348.491	1.324	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(C[C@H](C#N)CCC#N)CC2)C1	ZINC000105903223	441313181	/nfs/dbraw/zinc/31/31/81/441313181.db2.gz	TWKBTHDIQNYVTG-ZWKOTPCHSA-N	0	1	333.480	1.157	10	30		EDEEMN
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)NC[C@H]2CN(C)CCO2)cc1	ZINC000114803176	441685251	/nfs/dbraw/zinc/68/52/51/441685251.db2.gz	YCFWFNBQHLEKMZ-AEFFLSMTSA-N	0	1	344.459	1.550	10	30		EDEEMN
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247104814	139135664	/nfs/dbraw/zinc/13/56/64/139135664.db2.gz	IKXVINFWIUELLT-LSDHHAIUSA-N	0	1	338.415	1.889	10	30		EDEEMN
CCOCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000247106848	139135733	/nfs/dbraw/zinc/13/57/33/139135733.db2.gz	VPAQYLLEHRRRRH-MRXNPFEDSA-N	0	1	347.459	1.988	10	30		EDEEMN
C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163252269	442154294	/nfs/dbraw/zinc/15/42/94/442154294.db2.gz	ZHEIJUPCJFPSHH-SJKOYZFVSA-N	0	1	349.456	1.549	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)CC1	ZINC000191731970	442501215	/nfs/dbraw/zinc/50/12/15/442501215.db2.gz	GUGVWNMLRMDDQC-QGZVFWFLSA-N	0	1	330.432	1.148	10	30		EDEEMN
CNC(=O)[C@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C	ZINC000183663964	442951059	/nfs/dbraw/zinc/95/10/59/442951059.db2.gz	LKCAMLVEVDDFIG-GOSISDBHSA-N	0	1	344.459	1.910	10	30		EDEEMN
N#CCSCCCN1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000173887808	534707197	/nfs/dbraw/zinc/70/71/97/534707197.db2.gz	QHGKLVBYXADXLY-KRWDZBQOSA-N	0	1	349.500	1.691	10	30		EDEEMN
Cn1cnnc1C[C@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1	ZINC000888077426	590933189	/nfs/dbraw/zinc/93/31/89/590933189.db2.gz	APDNEEYRDGERPH-QGZVFWFLSA-N	0	1	329.379	1.395	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3)CCO2)n[nH]1	ZINC000176982877	237368637	/nfs/dbraw/zinc/36/86/37/237368637.db2.gz	XMLHALYQFSTOHH-AWEZNQCLSA-N	0	1	326.360	1.785	10	30		EDEEMN
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCO[C@@H](c2n[nH]c(C)n2)C1	ZINC000246376736	139106124	/nfs/dbraw/zinc/10/61/24/139106124.db2.gz	HVSAZAKQVHPBGT-HUUCEWRRSA-N	0	1	341.371	1.272	10	30		EDEEMN
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1CCOC	ZINC000117476996	221068842	/nfs/dbraw/zinc/06/88/42/221068842.db2.gz	QVGXIUKLDWTVOO-QGZVFWFLSA-N	0	1	330.432	1.810	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(C(=O)C3(C#N)CCCC3)CC2)C1	ZINC000105818139	441277776	/nfs/dbraw/zinc/27/77/76/441277776.db2.gz	TXKIJDIHDJKITM-QGZVFWFLSA-N	0	1	348.491	1.324	10	30		EDEEMN
CC[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000105825429	441281741	/nfs/dbraw/zinc/28/17/41/441281741.db2.gz	CAJYQZMZCRFBHH-RHSMWYFYSA-N	0	1	330.432	1.274	10	30		EDEEMN
CC[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCN1C[C@@H](C)O	ZINC000121629447	441746071	/nfs/dbraw/zinc/74/60/71/441746071.db2.gz	CBRMFKBMICNLCG-GDBMZVCRSA-N	0	1	344.411	1.070	10	30		EDEEMN
Cc1cc(N2CCC[C@@H](NCc3cc(C#N)cs3)C2=O)n(C)n1	ZINC000177707997	442372951	/nfs/dbraw/zinc/37/29/51/442372951.db2.gz	IZMAPIHXGXFAKI-CQSZACIVSA-N	0	1	329.429	1.947	10	30		EDEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249598310	442993895	/nfs/dbraw/zinc/99/38/95/442993895.db2.gz	XKYFBEKYTDVTQT-UBHSHLNASA-N	0	1	337.445	1.156	10	30		EDEEMN
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000190346099	443088255	/nfs/dbraw/zinc/08/82/55/443088255.db2.gz	ANSPOCVRHKYVRL-HUUCEWRRSA-N	0	1	344.390	1.721	10	30		EDEEMN
CC(C)N1CCO[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000174738066	529050156	/nfs/dbraw/zinc/05/01/56/529050156.db2.gz	RAVKXOUNVLLZSE-KRWDZBQOSA-N	0	1	329.448	1.184	10	30		EDEEMN
CCc1nc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173737440	529701029	/nfs/dbraw/zinc/70/10/29/529701029.db2.gz	JPROFLPBTBBQOF-ZDUSSCGKSA-N	0	1	347.400	1.001	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)n[nH]1	ZINC000128711063	237195074	/nfs/dbraw/zinc/19/50/74/237195074.db2.gz	OCXFYVFUORRSDO-OAHLLOKOSA-N	0	1	341.371	1.158	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1CCOC	ZINC000117477000	221067828	/nfs/dbraw/zinc/06/78/28/221067828.db2.gz	QVGXIUKLDWTVOO-KRWDZBQOSA-N	0	1	330.432	1.810	10	30		EDEEMN
N#Cc1cccc(Nc2nc[nH]c(=O)c2I)c1	ZINC000167372956	226188468	/nfs/dbraw/zinc/18/84/68/226188468.db2.gz	BEJVCWCNFUJCHE-UHFFFAOYSA-N	0	1	338.108	1.990	10	30		EDEEMN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](Cn2cncn2)C1	ZINC000105882683	441305773	/nfs/dbraw/zinc/30/57/73/441305773.db2.gz	QJIURDALNAFLII-ZBFHGGJFSA-N	0	1	338.415	1.889	10	30		EDEEMN
CC(C)[N@H+]1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000125758479	442045614	/nfs/dbraw/zinc/04/56/14/442045614.db2.gz	DTFMPSWZSBHDPU-YGRLFVJLSA-N	0	1	343.399	1.843	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000175366085	442049766	/nfs/dbraw/zinc/04/97/66/442049766.db2.gz	CNIRFWUCFSWTBV-AWEZNQCLSA-N	0	1	326.360	1.268	10	30		EDEEMN
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCN1CCOC	ZINC000177054803	442291334	/nfs/dbraw/zinc/29/13/34/442291334.db2.gz	LECYJJSFTPHXHO-MSOLQXFVSA-N	0	1	345.443	1.815	10	30		EDEEMN
CC[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000136075182	442649295	/nfs/dbraw/zinc/64/92/95/442649295.db2.gz	SIZXUKJCZQRRLF-DLBZAZTESA-N	0	1	347.484	1.891	10	30		EDEEMN
C[C@@H]1C(=O)NCCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189273686	442909852	/nfs/dbraw/zinc/90/98/52/442909852.db2.gz	NPZJECIBEDJSGG-LLVKDONJSA-N	0	1	334.807	1.751	10	30		EDEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249598309	442994037	/nfs/dbraw/zinc/99/40/37/442994037.db2.gz	XKYFBEKYTDVTQT-IACUBPJLSA-N	0	1	337.445	1.156	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000184821776	443081536	/nfs/dbraw/zinc/08/15/36/443081536.db2.gz	HVGGALPMOAPLOH-PBHICJAKSA-N	0	1	330.432	1.545	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)NCc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000185935499	443287209	/nfs/dbraw/zinc/28/72/09/443287209.db2.gz	FWRZAHRMLJRYNN-LSDHHAIUSA-N	0	1	346.431	1.185	10	30		EDEEMN
C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000105803192	526518558	/nfs/dbraw/zinc/51/85/58/526518558.db2.gz	WZQIKDNWKXXNRW-INIZCTEOSA-N	0	1	331.464	1.802	10	30		EDEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000247686429	249318187	/nfs/dbraw/zinc/31/81/87/249318187.db2.gz	VALWQFUHNZTQHI-JKSUJKDBSA-N	0	1	331.416	1.586	10	30		EDEEMN
COc1cc(C#N)ccc1OCCN1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000173667007	441819514	/nfs/dbraw/zinc/81/95/14/441819514.db2.gz	XITNIHQDJAOUTE-INIZCTEOSA-N	0	1	343.387	1.446	10	30		EDEEMN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@@H](c2n[nH]c(C)n2)C1	ZINC000177160454	442307625	/nfs/dbraw/zinc/30/76/25/442307625.db2.gz	HVSAZAKQVHPBGT-CABCVRRESA-N	0	1	341.371	1.272	10	30		EDEEMN
C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000182856659	442837241	/nfs/dbraw/zinc/83/72/41/442837241.db2.gz	IBQOQKMTHWCTBK-CYBMUJFWSA-N	0	1	337.445	1.185	10	30		EDEEMN
C=CCNc1ncc(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)s1	ZINC000129368093	526681295	/nfs/dbraw/zinc/68/12/95/526681295.db2.gz	BLORPPKPLQGPKY-JTQLQIEISA-N	0	1	348.432	1.635	10	30		EDEEMN
CCOCCN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1CC	ZINC000247439832	535604148	/nfs/dbraw/zinc/60/41/48/535604148.db2.gz	ZSKTZYKJGPXUFE-SJLPKXTDSA-N	0	1	338.496	1.474	10	30		EDEEMN
CC(=O)N[C@@H]1CCCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131060661	597662030	/nfs/dbraw/zinc/66/20/30/597662030.db2.gz	QURAAVOXFJWGHT-QGZVFWFLSA-N	0	1	338.415	1.683	10	30		EDEEMN
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](Cn2cncn2)C1	ZINC000247218537	139140868	/nfs/dbraw/zinc/14/08/68/139140868.db2.gz	QJIURDALNAFLII-GDBMZVCRSA-N	0	1	338.415	1.889	10	30		EDEEMN
CC[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000105825431	441281359	/nfs/dbraw/zinc/28/13/59/441281359.db2.gz	CAJYQZMZCRFBHH-PBHICJAKSA-N	0	1	330.432	1.274	10	30		EDEEMN
CCc1nc([C@H]2CN(Cc3cnc4ccc(C#N)cn34)CCO2)n[nH]1	ZINC000129222912	442307074	/nfs/dbraw/zinc/30/70/74/442307074.db2.gz	QPUSTWJLVZRGJY-CQSZACIVSA-N	0	1	337.387	1.460	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)C3(c4ccc(C#N)cc4)CC3)CCO2)n[nH]1	ZINC000187557427	442681575	/nfs/dbraw/zinc/68/15/75/442681575.db2.gz	YICLGKXJLYNCEB-HNNXBMFYSA-N	0	1	337.383	1.617	10	30		EDEEMN
CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000246824835	442815342	/nfs/dbraw/zinc/81/53/42/442815342.db2.gz	LMKNUAKHYUTPBJ-MAUKXSAKSA-N	0	1	329.444	1.794	10	30		EDEEMN
COc1ccc(C=NNc2n[nH]c(=S)[nH]2)cc1OCn1cccn1	ZINC000020259340	523448665	/nfs/dbraw/zinc/44/86/65/523448665.db2.gz	KHXFKWNWCFGSSV-OVCLIPMQSA-N	0	1	345.388	1.781	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@H](CC)C1	ZINC000105826822	526542126	/nfs/dbraw/zinc/54/21/26/526542126.db2.gz	SRLPNNCMLAUHEQ-IXDOHACOSA-N	0	1	325.497	1.577	10	30		EDEEMN
CC[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000246328814	139104248	/nfs/dbraw/zinc/10/42/48/139104248.db2.gz	SIZXUKJCZQRRLF-SJORKVTESA-N	0	1	347.484	1.891	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(F)c1	ZINC000246440210	139108619	/nfs/dbraw/zinc/10/86/19/139108619.db2.gz	DINPHOFGUIHUSG-NSHDSACASA-N	0	1	327.356	1.305	10	30		EDEEMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000253542929	139206598	/nfs/dbraw/zinc/20/65/98/139206598.db2.gz	SJJNWMCYGPHIQK-DOMZBBRYSA-N	0	1	342.443	1.903	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(F)c1	ZINC000177146372	442305625	/nfs/dbraw/zinc/30/56/25/442305625.db2.gz	DINPHOFGUIHUSG-LLVKDONJSA-N	0	1	327.356	1.305	10	30		EDEEMN
C[C@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000248638572	442911385	/nfs/dbraw/zinc/91/13/85/442911385.db2.gz	QWEDJOHFCKISKD-OLZOCXBDSA-N	0	1	334.395	1.294	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000184820645	443081424	/nfs/dbraw/zinc/08/14/24/443081424.db2.gz	OCGVGRLQKLOEDX-PBHICJAKSA-N	0	1	330.432	1.545	10	30		EDEEMN
C#CCN(C)S(=O)(=O)c1cc(CNCC)oc1Br	ZINC000165070565	526830760	/nfs/dbraw/zinc/83/07/60/526830760.db2.gz	LDOOWXPKDWGAHQ-UHFFFAOYSA-N	0	1	335.223	1.405	10	30		EDEEMN
Cc1nc([C@H]2CN(CCC(=O)Nc3ccccc3C#N)CCO2)n[nH]1	ZINC000173680463	231003084	/nfs/dbraw/zinc/00/30/84/231003084.db2.gz	GQQRMJZOTUXJNP-OAHLLOKOSA-N	0	1	340.387	1.387	10	30		EDEEMN
Cc1nc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173354742	138670259	/nfs/dbraw/zinc/67/02/59/138670259.db2.gz	CCAPFNVBKUAHPM-XHDPSFHLSA-N	0	1	340.387	1.385	10	30		EDEEMN
COc1cc2c(c(OC)c1OC)C(=O)N(C[C@H]1CCCO1)[C@@H]2C#N	ZINC000071682358	215794992	/nfs/dbraw/zinc/79/49/92/215794992.db2.gz	ODOIMJKDCJITKF-ZYHUDNBSSA-N	0	1	332.356	1.912	10	30		EDEEMN
CC(C)n1nnnc1CN1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000195047221	139005438	/nfs/dbraw/zinc/00/54/38/139005438.db2.gz	OEECBAQBUVUBPQ-UHFFFAOYSA-N	0	1	339.447	1.834	10	30		EDEEMN
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000253542930	139206489	/nfs/dbraw/zinc/20/64/89/139206489.db2.gz	SJJNWMCYGPHIQK-IUODEOHRSA-N	0	1	342.443	1.903	10	30		EDEEMN
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](Cn2cncn2)C1	ZINC000105882654	441305936	/nfs/dbraw/zinc/30/59/36/441305936.db2.gz	IKXVINFWIUELLT-GJZGRUSLSA-N	0	1	338.415	1.889	10	30		EDEEMN
C=CCOc1ccccc1C(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1	ZINC000173526904	441778261	/nfs/dbraw/zinc/77/82/61/441778261.db2.gz	POCINDHQEWFZHH-OAHLLOKOSA-N	0	1	328.372	1.892	10	30		EDEEMN
CC(C)N1CCO[C@@H](CN2CCN(Cc3cc(C#N)cs3)CC2)C1	ZINC000121067620	442172968	/nfs/dbraw/zinc/17/29/68/442172968.db2.gz	CFLYOQYBVCMLII-KRWDZBQOSA-N	0	1	348.516	1.847	10	30		EDEEMN
CN(Cc1nccc(N)n1)[C@H]1CCCN(c2nccnc2C#N)CC1	ZINC000328620813	444397774	/nfs/dbraw/zinc/39/77/74/444397774.db2.gz	ACYPWEZQGAVJRL-ZDUSSCGKSA-N	0	1	338.419	1.211	10	30		EDEEMN
C=CCNc1ncc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)s1	ZINC000136309424	526680656	/nfs/dbraw/zinc/68/06/56/526680656.db2.gz	GWUPFKVKQAMLIF-SNVBAGLBSA-N	0	1	334.405	1.381	10	30		EDEEMN
CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000122525214	596491467	/nfs/dbraw/zinc/49/14/67/596491467.db2.gz	PJWLEKNJHYWOBN-OAHLLOKOSA-N	0	1	335.429	1.379	10	30		EDEEMN
CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000122525214	596491469	/nfs/dbraw/zinc/49/14/69/596491469.db2.gz	PJWLEKNJHYWOBN-OAHLLOKOSA-N	0	1	335.429	1.379	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@H]1C	ZINC000174356175	237280456	/nfs/dbraw/zinc/28/04/56/237280456.db2.gz	PJDUFXRCBWFRQN-HUUCEWRRSA-N	0	1	331.416	1.045	10	30		EDEEMN
C=CCC[C@H](C[NH+]1CCN(C(C)=O)CC1)Oc1ccc(C(=O)[O-])cn1	ZINC000072420086	441230585	/nfs/dbraw/zinc/23/05/85/441230585.db2.gz	MHVCLQTUYQDEQH-MRXNPFEDSA-N	0	1	347.415	1.658	10	30		EDEEMN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105885457	441306789	/nfs/dbraw/zinc/30/67/89/441306789.db2.gz	CXAYUNFGTIQAPD-YOEHRIQHSA-N	0	1	346.479	1.615	10	30		EDEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000248614459	442907171	/nfs/dbraw/zinc/90/71/71/442907171.db2.gz	LQSIMESEAWNXIW-CVEARBPZSA-N	0	1	347.459	1.848	10	30		EDEEMN
CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000247226746	266381343	/nfs/dbraw/zinc/38/13/43/266381343.db2.gz	QVPUQWRSSVWHMX-CRAIPNDOSA-N	0	1	344.459	1.928	10	30		EDEEMN
C=CCNC(=O)[C@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191980378	442553037	/nfs/dbraw/zinc/55/30/37/442553037.db2.gz	DJGLBSZFMNJZNX-AWEZNQCLSA-N	0	1	339.480	1.415	10	30		EDEEMN
C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1N1CCOCC1	ZINC000245789536	139086179	/nfs/dbraw/zinc/08/61/79/139086179.db2.gz	VWYCBVVGFXDRSA-RHSMWYFYSA-N	0	1	325.416	1.358	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)c(C#N)c3)CCO2)n[nH]1	ZINC000122121225	222018512	/nfs/dbraw/zinc/01/85/12/222018512.db2.gz	VEOFPNPLBXLEKT-ZDUSSCGKSA-N	0	1	344.350	1.983	10	30		EDEEMN
COC(=O)[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000033706159	441597433	/nfs/dbraw/zinc/59/74/33/441597433.db2.gz	FGZWJKJWXLBOJL-OAHLLOKOSA-N	0	1	330.365	1.751	10	30		EDEEMN
C=CCNC(=O)c1ccc(N2CCN(CCOCC)[C@@H](CC)C2)nc1	ZINC000116871225	441857455	/nfs/dbraw/zinc/85/74/55/441857455.db2.gz	YTGQSDGVWLPSSE-KRWDZBQOSA-N	0	1	346.475	1.935	10	30		EDEEMN
CCn1cc(O[C@@H]2CN(CCOc3cccc(C#N)c3)C[C@H]2O)cn1	ZINC000599502048	450026640	/nfs/dbraw/zinc/02/66/40/450026640.db2.gz	QPXYFUQGZLOGLG-QZTJIDSGSA-N	0	1	342.399	1.278	10	30		EDEEMN
C=CCn1c(C)cc(C(=O)CN2CCO[C@@H](c3n[nH]c(C)n3)C2)c1C	ZINC000173669204	527295913	/nfs/dbraw/zinc/29/59/13/527295913.db2.gz	NOEOSHCQCBUJDD-QGZVFWFLSA-N	0	1	343.431	1.974	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@H](C)N(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803551	527631717	/nfs/dbraw/zinc/63/17/17/527631717.db2.gz	JRRYNXCBOZIBBY-DLBZAZTESA-N	0	1	343.475	1.966	10	30		EDEEMN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3(C#N)CCCC3)CC2)C1	ZINC000105818142	529050958	/nfs/dbraw/zinc/05/09/58/529050958.db2.gz	TXKIJDIHDJKITM-KRWDZBQOSA-N	0	1	348.491	1.324	10	30		EDEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000076106916	441598614	/nfs/dbraw/zinc/59/86/14/441598614.db2.gz	VALWQFUHNZTQHI-HOTGVXAUSA-N	0	1	331.416	1.586	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)n[nH]1	ZINC000178575204	442445295	/nfs/dbraw/zinc/44/52/95/442445295.db2.gz	PSABMYGCBAZKKQ-AWEZNQCLSA-N	0	1	326.360	1.899	10	30		EDEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194157954	442854493	/nfs/dbraw/zinc/85/44/93/442854493.db2.gz	AVTYOTSBDALYJW-CYBMUJFWSA-N	0	1	334.807	1.751	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@H]1C	ZINC000186008417	443296503	/nfs/dbraw/zinc/29/65/03/443296503.db2.gz	QWEDJOHFCKISKD-CHWSQXEVSA-N	0	1	334.395	1.294	10	30		EDEEMN
C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2	ZINC000176484628	237340170	/nfs/dbraw/zinc/34/01/70/237340170.db2.gz	LHKYJGXTWZNZLI-AWEZNQCLSA-N	0	1	342.399	1.764	10	30		EDEEMN
C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000174083835	299310469	/nfs/dbraw/zinc/31/04/69/299310469.db2.gz	GVYYGELRNQWXLO-DOTOQJQBSA-N	0	1	330.432	1.242	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000118858632	441908008	/nfs/dbraw/zinc/90/80/08/441908008.db2.gz	MJWAPCYSQIANNU-GDBMZVCRSA-N	0	1	330.432	1.274	10	30		EDEEMN
CC(C)n1cc([C@]2(O)CCN(CCOc3ccc(C#N)cc3)C2)nn1	ZINC000583618478	448446333	/nfs/dbraw/zinc/44/63/33/448446333.db2.gz	ZUDLZDLIXSOWEA-SFHVURJKSA-N	0	1	341.415	1.703	10	30		EDEEMN
C=CCNc1ncc(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)s1	ZINC000129368330	526680549	/nfs/dbraw/zinc/68/05/49/526680549.db2.gz	BLORPPKPLQGPKY-SNVBAGLBSA-N	0	1	348.432	1.635	10	30		EDEEMN
CC(C)N1CCO[C@@H](CN2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000247250505	535215392	/nfs/dbraw/zinc/21/53/92/535215392.db2.gz	TWKBTHDIQNYVTG-MSOLQXFVSA-N	0	1	333.480	1.157	10	30		EDEEMN
COc1cc2c(cc1O)[C@@]13C=C(OC)C(=O)C=C1[C@@H](C2)N(C)CC3	ZINC000034582305	560087085	/nfs/dbraw/zinc/08/70/85/560087085.db2.gz	GSNZKNRMDZYEAI-AUUYWEPGSA-N	0	1	327.380	1.938	10	30	biogenic,in-vitro	EDEEMN
CCCC(=O)N[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000101564225	219137550	/nfs/dbraw/zinc/13/75/50/219137550.db2.gz	LNFNADPZIZLMIE-IRXDYDNUSA-N	0	1	345.443	1.679	10	30		EDEEMN
COc1cc(C#N)ccc1OCCN1CCO[C@@H](c2n[nH]c(C)n2)C1	ZINC000173667018	441819063	/nfs/dbraw/zinc/81/90/63/441819063.db2.gz	XITNIHQDJAOUTE-MRXNPFEDSA-N	0	1	343.387	1.446	10	30		EDEEMN
C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc2c(c1)OCCO2	ZINC000194031687	442833867	/nfs/dbraw/zinc/83/38/67/442833867.db2.gz	ASHVTDQFNWWNET-KZULUSFZSA-N	0	1	329.400	1.917	10	30		EDEEMN
CC[C@H]1CN(C(=O)COc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246986275	442826378	/nfs/dbraw/zinc/82/63/78/442826378.db2.gz	UVQOIOJAWZORQO-HOCLYGCPSA-N	0	1	331.416	1.241	10	30		EDEEMN
C#CCN(C)S(=O)(=O)c1cc(CNC(C)C)oc1Br	ZINC000165057062	526831646	/nfs/dbraw/zinc/83/16/46/526831646.db2.gz	WQEGGOVJOSYISS-UHFFFAOYSA-N	0	1	349.250	1.794	10	30		EDEEMN
Cc1c(C(=O)N2CCC(C)CC2)oc2c1C(=NNC(=N)N)CCC2	ZINC000040824721	213390358	/nfs/dbraw/zinc/39/03/58/213390358.db2.gz	YKFGJJGAQHOUTN-UDWIEESQSA-N	0	1	331.420	1.984	10	30		EDEEMN
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000248562178	442900567	/nfs/dbraw/zinc/90/05/67/442900567.db2.gz	CVPVHJORODGMMP-BYNSBNAKSA-N	0	1	337.464	1.912	10	30		EDEEMN
C=CCN(CC=C)C(=O)CN1CCC(N(C)c2cccnn2)CC1	ZINC000105806217	527607599	/nfs/dbraw/zinc/60/75/99/527607599.db2.gz	NPYZJZBDHJHXIW-UHFFFAOYSA-N	0	1	329.448	1.578	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)c3ccccc3OCC#N)CCO2)n[nH]1	ZINC000173534489	237261718	/nfs/dbraw/zinc/26/17/18/237261718.db2.gz	FLKUVUOFKDHUFP-AWEZNQCLSA-N	0	1	327.344	1.229	10	30		EDEEMN
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000249155613	139187844	/nfs/dbraw/zinc/18/78/44/139187844.db2.gz	IGEAIGDJNRTTBP-GJZGRUSLSA-N	0	1	344.390	1.721	10	30		EDEEMN
N#Cc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)nc1	ZINC000159177511	225164173	/nfs/dbraw/zinc/16/41/73/225164173.db2.gz	QIWLABWPZWZIMI-KRWDZBQOSA-N	0	1	336.395	1.102	10	30		EDEEMN
CC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CCN1C[C@@H](C)O	ZINC000134397649	442478278	/nfs/dbraw/zinc/47/82/78/442478278.db2.gz	FBGWEEBPMCUDIM-WBVHZDCISA-N	0	1	345.443	1.435	10	30		EDEEMN
C=C[C@@](C)(CC)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000135024658	442548653	/nfs/dbraw/zinc/54/86/53/442548653.db2.gz	VXBCNTSZBATQMB-MJGOQNOKSA-N	0	1	337.508	1.842	10	30		EDEEMN
CNC(=O)[C@H](NCC(=O)N(CCC#N)c1cc(C)cc(C)c1)C(C)C	ZINC000183654455	442949570	/nfs/dbraw/zinc/94/95/70/442949570.db2.gz	JSGGVPCWWKLNAG-GOSISDBHSA-N	0	1	344.459	1.910	10	30		EDEEMN
C#CCN1CCC(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC)CC1	ZINC000249816065	443006282	/nfs/dbraw/zinc/00/62/82/443006282.db2.gz	LBAFEVFEYBEEAX-BBWFWOEESA-N	0	1	332.444	1.664	10	30		EDEEMN
C#CCN(C)S(=O)(=O)c1cc(Br)cc(CNC)c1F	ZINC000165068679	526831229	/nfs/dbraw/zinc/83/12/29/526831229.db2.gz	NNQCPFVVPGFKGP-UHFFFAOYSA-N	0	1	349.225	1.561	10	30		EDEEMN
CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000123346061	222260365	/nfs/dbraw/zinc/26/03/65/222260365.db2.gz	BYLGZLINZHWCKF-RISCZKNCSA-N	0	1	325.409	1.704	10	30		EDEEMN
Cc1nc([C@H]2CN([C@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)n[nH]1	ZINC000247226951	442842339	/nfs/dbraw/zinc/84/23/39/442842339.db2.gz	WNQJKICXHZBCBP-TZMCWYRMSA-N	0	1	346.435	1.218	10	30		EDEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249598308	442993149	/nfs/dbraw/zinc/99/31/49/442993149.db2.gz	XKYFBEKYTDVTQT-FPMFFAJLSA-N	0	1	337.445	1.156	10	30		EDEEMN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](CNc2ccccn2)C1	ZINC000249860455	443006649	/nfs/dbraw/zinc/00/66/49/443006649.db2.gz	FSBYQEMWHDJPRO-HOTGVXAUSA-N	0	1	329.448	1.824	10	30		EDEEMN
CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](CNc2ccccn2)C1	ZINC000195515997	443027113	/nfs/dbraw/zinc/02/71/13/443027113.db2.gz	FSBYQEMWHDJPRO-JKSUJKDBSA-N	0	1	329.448	1.824	10	30		EDEEMN
CCC[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N(C)C	ZINC000191062485	443233064	/nfs/dbraw/zinc/23/30/64/443233064.db2.gz	DGYGVZKHRFLMBF-DLBZAZTESA-N	0	1	342.443	1.506	10	30		EDEEMN
CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000174621810	529362365	/nfs/dbraw/zinc/36/23/65/529362365.db2.gz	LMKNUAKHYUTPBJ-CRAIPNDOSA-N	0	1	329.444	1.794	10	30		EDEEMN
C=CCC[C@@H](C[NH+]1CCN(C(C)=O)CC1)Oc1ccc(C(=O)[O-])cn1	ZINC000072420087	441231029	/nfs/dbraw/zinc/23/10/29/441231029.db2.gz	MHVCLQTUYQDEQH-INIZCTEOSA-N	0	1	347.415	1.658	10	30		EDEEMN
CC[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105825640	441281851	/nfs/dbraw/zinc/28/18/51/441281851.db2.gz	KMLHODBNZNZCCG-RHSMWYFYSA-N	0	1	330.432	1.274	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000185797857	443259048	/nfs/dbraw/zinc/25/90/48/443259048.db2.gz	XPWZFPFKIREAHV-JSGCOSHPSA-N	0	1	337.445	1.574	10	30		EDEEMN
CC[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000247133713	536132531	/nfs/dbraw/zinc/13/25/31/536132531.db2.gz	KMLHODBNZNZCCG-YOEHRIQHSA-N	0	1	330.432	1.274	10	30		EDEEMN
C[C@H](O)CN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000247150556	249314785	/nfs/dbraw/zinc/31/47/85/249314785.db2.gz	LMYNSJPBZQJQRQ-IRXDYDNUSA-N	0	1	344.459	1.320	10	30		EDEEMN
C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112548536	274250793	/nfs/dbraw/zinc/25/07/93/274250793.db2.gz	VKTOXHUYZAUGFC-NEPJUHHUSA-N	0	1	348.472	1.356	10	30		EDEEMN
CC(C)[N@@H+]1C[C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000125758681	442046093	/nfs/dbraw/zinc/04/60/93/442046093.db2.gz	DTFMPSWZSBHDPU-HZMBPMFUSA-N	0	1	343.399	1.843	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)Nc3cc(C#N)ccc3C)CCO2)n[nH]1	ZINC000177056487	442291264	/nfs/dbraw/zinc/29/12/64/442291264.db2.gz	FPKFFEZWFNSXMK-CQSZACIVSA-N	0	1	326.360	1.899	10	30		EDEEMN
N#CCOc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)cc1	ZINC000171684164	442370056	/nfs/dbraw/zinc/37/00/56/442370056.db2.gz	XPIPTQHHIHMRIJ-MRXNPFEDSA-N	0	1	328.416	1.969	10	30		EDEEMN
CCOCCN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000177054639	286090157	/nfs/dbraw/zinc/09/01/57/286090157.db2.gz	RUPSWBJIXWHYGR-YJBOKZPZSA-N	0	1	345.443	1.815	10	30		EDEEMN
CC[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000105825642	441281581	/nfs/dbraw/zinc/28/15/81/441281581.db2.gz	KMLHODBNZNZCCG-PBHICJAKSA-N	0	1	330.432	1.274	10	30		EDEEMN
CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000152116967	442166637	/nfs/dbraw/zinc/16/66/37/442166637.db2.gz	VXDARQIXISYJBT-CQSZACIVSA-N	0	1	325.409	1.802	10	30		EDEEMN
C=CCC[C@H](O)CN1CCN(C[C@H](O)COc2ccccc2)CC1	ZINC000128006422	442239286	/nfs/dbraw/zinc/23/92/86/442239286.db2.gz	JDGKSYMSSWRANO-ROUUACIJSA-N	0	1	334.460	1.371	10	30		EDEEMN
C=CCN(CCO)S(=O)(=O)c1cc(F)c(Cl)c(CNC)c1	ZINC000135955275	526275839	/nfs/dbraw/zinc/27/58/39/526275839.db2.gz	YRCNNYNHRRPCJO-UHFFFAOYSA-N	0	1	336.816	1.368	10	30		EDEEMN
C[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245541969	139078473	/nfs/dbraw/zinc/07/84/73/139078473.db2.gz	LAGCKZVLSNMJRO-ZBFHGGJFSA-N	0	1	333.457	1.500	10	30		EDEEMN
C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246620575	139115573	/nfs/dbraw/zinc/11/55/73/139115573.db2.gz	RYCJSIQDSONRHS-PWSUYJOCSA-N	0	1	341.383	1.694	10	30		EDEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000247686428	249318176	/nfs/dbraw/zinc/31/81/76/249318176.db2.gz	VALWQFUHNZTQHI-HZPDHXFCSA-N	0	1	331.416	1.586	10	30		EDEEMN
C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000112548781	220346621	/nfs/dbraw/zinc/34/66/21/220346621.db2.gz	KMIJUYDLJIGVEC-SMDDNHRTSA-N	0	1	336.823	1.459	10	30		EDEEMN
Cc1cc(N2CCC[C@@H](NCc3ccc(C#N)s3)C2=O)n(C)n1	ZINC000176979382	442279918	/nfs/dbraw/zinc/27/99/18/442279918.db2.gz	OODDVJSTZFUMAE-CQSZACIVSA-N	0	1	329.429	1.947	10	30		EDEEMN
CO[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H]1c1cn[nH]n1	ZINC000818158312	593676144	/nfs/dbraw/zinc/67/61/44/593676144.db2.gz	FDKYGVCJXMIHCZ-TVQRCGJNSA-N	0	1	338.293	1.709	10	30		EDEEMN
CCCC(=O)N[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000245200621	139071101	/nfs/dbraw/zinc/07/11/01/139071101.db2.gz	LNFNADPZIZLMIE-DLBZAZTESA-N	0	1	345.443	1.679	10	30		EDEEMN
Cc1cc(N2CCN(Cc3ccc(C#N)cc3C)CC2)n2ncnc2n1	ZINC000186205881	442485811	/nfs/dbraw/zinc/48/58/11/442485811.db2.gz	XCYACTLXSGWMPS-UHFFFAOYSA-N	0	1	347.426	1.935	10	30		EDEEMN
C=CCN(CC)S(=O)(=O)c1cc(CNC)oc1Br	ZINC000166073237	527593201	/nfs/dbraw/zinc/59/32/01/527593201.db2.gz	ABFGALYLLRHOTM-UHFFFAOYSA-N	0	1	337.239	1.958	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)Nc3ccc(CC#N)cc3)CCO2)n[nH]1	ZINC000176982892	237366225	/nfs/dbraw/zinc/36/62/25/237366225.db2.gz	XMLHALYQFSTOHH-CQSZACIVSA-N	0	1	326.360	1.785	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(CCOC)[C@@H](CC)C1	ZINC000247247913	249315677	/nfs/dbraw/zinc/31/56/77/249315677.db2.gz	SWIACTLBLFMGQF-SJORKVTESA-N	0	1	325.497	1.842	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1C	ZINC000185640011	274091344	/nfs/dbraw/zinc/09/13/44/274091344.db2.gz	MQFOVJNXOIDINH-GXTWGEPZSA-N	0	1	335.429	1.424	10	30		EDEEMN
C=CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CCC(=O)[C@H]3O5	ZINC000003977940	440908243	/nfs/dbraw/zinc/90/82/43/440908243.db2.gz	UZHSEJADLWPNLE-DQEVTTJGSA-N	0	1	327.380	1.301	10	30	in-man	EDEEMN
C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000135024693	442548744	/nfs/dbraw/zinc/54/87/44/442548744.db2.gz	VXBCNTSZBATQMB-HKUYNNGSSA-N	0	1	337.508	1.842	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(CC#Cc3ccccc3)CC2)C1	ZINC000192002144	442561488	/nfs/dbraw/zinc/56/14/88/442561488.db2.gz	OERMYRKHEVKDSU-OAQYLSRUSA-N	0	1	341.499	1.765	10	30		EDEEMN
CCOCCN1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@@H]1C	ZINC000246528124	442790325	/nfs/dbraw/zinc/79/03/25/442790325.db2.gz	RUPSWBJIXWHYGR-MAUKXSAKSA-N	0	1	345.443	1.815	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000105826824	526540964	/nfs/dbraw/zinc/54/09/64/526540964.db2.gz	SRLPNNCMLAUHEQ-IKGGRYGDSA-N	0	1	325.497	1.577	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCC(N(C)c3cccnn3)CC2)CC1	ZINC000105816495	526918983	/nfs/dbraw/zinc/91/89/83/526918983.db2.gz	KCIBMZPMPDELGT-UHFFFAOYSA-N	0	1	341.459	1.249	10	30		EDEEMN
C#CC[C@H](N)C(=O)Nc1ccc(C(=O)OCC)cc1Br	ZINC000160007205	527173610	/nfs/dbraw/zinc/17/36/10/527173610.db2.gz	VRONLCPQQNSYHO-NSHDSACASA-N	0	1	339.189	1.915	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)CC1	ZINC000110904137	441525915	/nfs/dbraw/zinc/52/59/15/441525915.db2.gz	PTUZEKPXRRWPQS-SFHVURJKSA-N	0	1	344.459	1.073	10	30		EDEEMN
C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc2c(c1)OCCO2	ZINC000194031668	442834241	/nfs/dbraw/zinc/83/42/41/442834241.db2.gz	ASHVTDQFNWWNET-KPZWWZAWSA-N	0	1	329.400	1.917	10	30		EDEEMN
C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000248632617	442910937	/nfs/dbraw/zinc/91/09/37/442910937.db2.gz	RUAXALIUSQQAHI-MSOLQXFVSA-N	0	1	337.508	1.842	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCC(Nc3cccnn3)CC2)CC1	ZINC000105815179	526918315	/nfs/dbraw/zinc/91/83/15/526918315.db2.gz	VAENRZMZQGVULW-UHFFFAOYSA-N	0	1	327.432	1.225	10	30		EDEEMN
C=CCS(=O)(=O)[C@@H](C)C(=O)NCCc1nc2ccc(F)cc2[nH]1	ZINC000071555224	215786878	/nfs/dbraw/zinc/78/68/78/215786878.db2.gz	WTTFVBYUPYRYPS-JTQLQIEISA-N	0	1	339.392	1.350	10	30		EDEEMN
COc1cccc(CNC(=O)CSc2[nH]c(=O)cc(C)c2C#N)c1	ZINC000012915310	441147907	/nfs/dbraw/zinc/14/79/07/441147907.db2.gz	NXUDIAUYKBHAGC-UHFFFAOYSA-N	0	1	343.408	1.972	10	30		EDEEMN
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125852341	442055535	/nfs/dbraw/zinc/05/55/35/442055535.db2.gz	SPKNZVFVAHIBTD-GFCCVEGCSA-N	0	1	343.399	1.941	10	30		EDEEMN
CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125852341	442055536	/nfs/dbraw/zinc/05/55/36/442055536.db2.gz	SPKNZVFVAHIBTD-GFCCVEGCSA-N	0	1	343.399	1.941	10	30		EDEEMN
N#Cc1ccccc1Cn1cccc1CN1CC[C@@](O)(c2cn[nH]n2)C1	ZINC000583617346	448443014	/nfs/dbraw/zinc/44/30/14/448443014.db2.gz	XJVUDSWIXOVDOU-IBGZPJMESA-N	0	1	348.410	1.620	10	30		EDEEMN
CC[C@H](O)CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000174070727	529701461	/nfs/dbraw/zinc/70/14/61/529701461.db2.gz	OGFOSUQOXXAGAH-INIZCTEOSA-N	0	1	341.415	1.497	10	30		EDEEMN
C=CCNC(=O)c1ccc(N2CCN(CCOCC)[C@@H](C)C2)nc1	ZINC000174736120	441962882	/nfs/dbraw/zinc/96/28/82/441962882.db2.gz	HHMQBNAISGKTLW-HNNXBMFYSA-N	0	1	332.448	1.544	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)Nc3cccc(C#N)c3C)CCO2)n[nH]1	ZINC000178575217	442445389	/nfs/dbraw/zinc/44/53/89/442445389.db2.gz	PSABMYGCBAZKKQ-CQSZACIVSA-N	0	1	326.360	1.899	10	30		EDEEMN
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000190346120	443088241	/nfs/dbraw/zinc/08/82/41/443088241.db2.gz	ANSPOCVRHKYVRL-LSDHHAIUSA-N	0	1	344.390	1.721	10	30		EDEEMN
C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(c2cnc(C#N)cn2)CC1	ZINC000328646605	444412466	/nfs/dbraw/zinc/41/24/66/444412466.db2.gz	STCCPDGDYZGZSO-CQSZACIVSA-N	0	1	338.419	1.211	10	30		EDEEMN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2cnc(C#N)cn2)CC1	ZINC000328646605	444412467	/nfs/dbraw/zinc/41/24/67/444412467.db2.gz	STCCPDGDYZGZSO-CQSZACIVSA-N	0	1	338.419	1.211	10	30		EDEEMN
C[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245541968	139078490	/nfs/dbraw/zinc/07/84/90/139078490.db2.gz	LAGCKZVLSNMJRO-HOCLYGCPSA-N	0	1	333.457	1.500	10	30		EDEEMN
CC[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245951316	139091092	/nfs/dbraw/zinc/09/10/92/139091092.db2.gz	CBSVOTUUIVLDMO-SJORKVTESA-N	0	1	347.484	1.891	10	30		EDEEMN
CC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CCN1CCOC	ZINC000105836595	441288709	/nfs/dbraw/zinc/28/87/09/441288709.db2.gz	URBRBCASWUXASB-OAHLLOKOSA-N	0	1	348.447	1.749	10	30		EDEEMN
CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCN1CCOC	ZINC000117309966	441869350	/nfs/dbraw/zinc/86/93/50/441869350.db2.gz	AKZGHQQBQSVVOQ-QGZVFWFLSA-N	0	1	345.443	1.701	10	30		EDEEMN
C=CCC[C@@H](O)CN1CCN(c2nc(C)nc3c2cnn3C)CC1	ZINC000127941560	442235463	/nfs/dbraw/zinc/23/54/63/442235463.db2.gz	YZPNTQMGJDIOQR-CQSZACIVSA-N	0	1	330.436	1.121	10	30		EDEEMN
CC(C)C[C@H](CN(C)C)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000171530507	442354530	/nfs/dbraw/zinc/35/45/30/442354530.db2.gz	IHCIGFDVEZQXBF-CYBMUJFWSA-N	0	1	327.425	1.952	10	30		EDEEMN
C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(c2cnc(C#N)cn2)CC1	ZINC000328646604	444411693	/nfs/dbraw/zinc/41/16/93/444411693.db2.gz	STCCPDGDYZGZSO-AWEZNQCLSA-N	0	1	338.419	1.211	10	30		EDEEMN
CN(Cc1nccc(N)n1)[C@H]1CCCN(c2cnc(C#N)cn2)CC1	ZINC000328646604	444411695	/nfs/dbraw/zinc/41/16/95/444411695.db2.gz	STCCPDGDYZGZSO-AWEZNQCLSA-N	0	1	338.419	1.211	10	30		EDEEMN
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000177054099	529401418	/nfs/dbraw/zinc/40/14/18/529401418.db2.gz	CXMVLYFRQKGTQE-OLMNPRSZSA-N	0	1	345.443	1.549	10	30		EDEEMN
COc1cc2c(c(OC)c1)[C@H](C#N)N(CCCN1CCOCC1)C2=O	ZINC000071680766	203102172	/nfs/dbraw/zinc/10/21/72/203102172.db2.gz	PZOMZZBCEBKLDC-HNNXBMFYSA-N	0	1	345.399	1.447	10	30		EDEEMN
CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000247380168	139146720	/nfs/dbraw/zinc/14/67/20/139146720.db2.gz	VVABYKFYQKKSHT-ZMSDIMECSA-N	0	1	344.459	1.662	10	30		EDEEMN
C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163251948	442154327	/nfs/dbraw/zinc/15/43/27/442154327.db2.gz	ZHEIJUPCJFPSHH-SJCJKPOMSA-N	0	1	349.456	1.549	10	30		EDEEMN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000177053911	442290423	/nfs/dbraw/zinc/29/04/23/442290423.db2.gz	UIDSTRKJQYUXCF-VBQJREDUSA-N	0	1	331.416	1.159	10	30		EDEEMN
C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc2c(c1)OCCO2	ZINC000194031635	442834188	/nfs/dbraw/zinc/83/41/88/442834188.db2.gz	ASHVTDQFNWWNET-SGTLLEGYSA-N	0	1	329.400	1.917	10	30		EDEEMN
CCN1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124405796	535582743	/nfs/dbraw/zinc/58/27/43/535582743.db2.gz	MDSZCCHTMIIRLC-NSHDSACASA-N	0	1	329.372	1.599	10	30		EDEEMN
Cc1cc(Br)c(N2CC[C@@](O)(c3c[nH]nn3)C2)c(C#N)c1	ZINC000893760389	591079779	/nfs/dbraw/zinc/07/97/79/591079779.db2.gz	LUELUKZTBIKDGG-AWEZNQCLSA-N	0	1	348.204	1.845	10	30		EDEEMN
CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000049379512	201113391	/nfs/dbraw/zinc/11/33/91/201113391.db2.gz	MJXXGPTWZVAKEL-QGZVFWFLSA-N	0	1	336.395	1.916	10	30		EDEEMN
C#CCN1CCC(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)CC1	ZINC000067204934	201160007	/nfs/dbraw/zinc/16/00/07/201160007.db2.gz	LBAFEVFEYBEEAX-IKGGRYGDSA-N	0	1	332.444	1.664	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000130042113	205221539	/nfs/dbraw/zinc/22/15/39/205221539.db2.gz	XCUJXRWIBCITGB-ZDUSSCGKSA-N	0	1	326.360	1.844	10	30		EDEEMN
N#Cc1ccc(CN[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000156157813	206059403	/nfs/dbraw/zinc/05/94/03/206059403.db2.gz	NDLUIFXGHOTILR-CABCVRRESA-N	0	1	333.369	1.712	10	30		EDEEMN
C#CCOc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)cc1	ZINC000173563697	441792863	/nfs/dbraw/zinc/79/28/63/441792863.db2.gz	VCCKEVRDLQBYJR-HNNXBMFYSA-N	0	1	340.383	1.593	10	30		EDEEMN
CC(C)[C@H](O)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000154651328	442350070	/nfs/dbraw/zinc/35/00/70/442350070.db2.gz	KHAAUOXDVOJTEG-GOSISDBHSA-N	0	1	329.444	2.000	10	30		EDEEMN
CCN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185817346	443262681	/nfs/dbraw/zinc/26/26/81/443262681.db2.gz	HMZIUDFQZKOZJA-CQSZACIVSA-N	0	1	337.445	1.672	10	30		EDEEMN
Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccc(C#N)cn2)CCCN1C	ZINC000583619654	448449861	/nfs/dbraw/zinc/44/98/61/448449861.db2.gz	YHEQYWWTYFRRHO-WMLDXEAASA-N	0	1	338.415	1.500	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000105835782	204169921	/nfs/dbraw/zinc/16/99/21/204169921.db2.gz	QVPUQWRSSVWHMX-MAUKXSAKSA-N	0	1	344.459	1.928	10	30		EDEEMN
CN(CC(=O)N1CCNCC1)c1ccc(C#N)cc1Br	ZINC000214270683	139020479	/nfs/dbraw/zinc/02/04/79/139020479.db2.gz	GXMSMAOKGIHUJK-UHFFFAOYSA-N	0	1	337.221	1.189	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(F)c1	ZINC000126195392	205045720	/nfs/dbraw/zinc/04/57/20/205045720.db2.gz	ZXPPTRUOAWPVAV-NSHDSACASA-N	0	1	339.327	1.241	10	30		EDEEMN
CCCC(=O)N[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000245200623	139071062	/nfs/dbraw/zinc/07/10/62/139071062.db2.gz	LNFNADPZIZLMIE-IAGOWNOFSA-N	0	1	345.443	1.679	10	30		EDEEMN
C[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000246237710	139100444	/nfs/dbraw/zinc/10/04/44/139100444.db2.gz	QYSDQBVTHZQTEN-ZBFHGGJFSA-N	0	1	333.457	1.500	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173568247	441794606	/nfs/dbraw/zinc/79/46/06/441794606.db2.gz	PCBFZTOQXOEUNB-AWEZNQCLSA-N	0	1	325.372	1.381	10	30		EDEEMN
C=CCOc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1	ZINC000173604440	441802079	/nfs/dbraw/zinc/80/20/79/441802079.db2.gz	OOQHZFXGCNGJFC-HNNXBMFYSA-N	0	1	328.372	1.892	10	30		EDEEMN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000177160435	442307666	/nfs/dbraw/zinc/30/76/66/442307666.db2.gz	HVSAZAKQVHPBGT-GJZGRUSLSA-N	0	1	341.371	1.272	10	30		EDEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000194157929	442853914	/nfs/dbraw/zinc/85/39/14/442853914.db2.gz	AVTYOTSBDALYJW-ZDUSSCGKSA-N	0	1	334.807	1.751	10	30		EDEEMN
N#C[C@@H]1c2cccc(C(F)(F)F)c2C(=O)N1[C@@H]1CCS(=O)(=O)C1	ZINC000071681282	203102464	/nfs/dbraw/zinc/10/24/64/203102464.db2.gz	MDRHVVWDNIZOIL-LDYMZIIASA-N	0	1	344.314	1.913	10	30		EDEEMN
CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185817369	443262958	/nfs/dbraw/zinc/26/29/58/443262958.db2.gz	HMZIUDFQZKOZJA-AWEZNQCLSA-N	0	1	337.445	1.672	10	30		EDEEMN
Cc1cc(Br)c(N2CC[C@](O)(c3c[nH]nn3)C2)c(C#N)c1	ZINC000893760391	591079711	/nfs/dbraw/zinc/07/97/11/591079711.db2.gz	LUELUKZTBIKDGG-CQSZACIVSA-N	0	1	348.204	1.845	10	30		EDEEMN
C[C@@H]1CC[C@@H](C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)O1	ZINC000121482458	595262371	/nfs/dbraw/zinc/26/23/71/595262371.db2.gz	RMAQPEBGDZLZOU-RTXFEEFZSA-N	0	1	338.371	1.941	10	30		EDEEMN
C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000112548786	441551042	/nfs/dbraw/zinc/55/10/42/441551042.db2.gz	KMIJUYDLJIGVEC-RISCZKNCSA-N	0	1	336.823	1.459	10	30		EDEEMN
C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)N(C)CCC#N	ZINC000122541924	441853618	/nfs/dbraw/zinc/85/36/18/441853618.db2.gz	CXNJRCZWLHMNEO-QWHCGFSZSA-N	0	1	337.445	1.501	10	30		EDEEMN
CCN(CC(=O)OC(C)(C)C)C1CCN(c2cnc(C#N)cn2)CC1	ZINC000192241015	442621581	/nfs/dbraw/zinc/62/15/81/442621581.db2.gz	NECXTHZHSNNGBX-UHFFFAOYSA-N	0	1	345.447	1.981	10	30		EDEEMN
CC[C@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000247226753	442841765	/nfs/dbraw/zinc/84/17/65/442841765.db2.gz	QVPUQWRSSVWHMX-QAPCUYQASA-N	0	1	344.459	1.928	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nnc[nH]1	ZINC000185887128	443276028	/nfs/dbraw/zinc/27/60/28/443276028.db2.gz	SGSPUGHWSYVVLO-GFCCVEGCSA-N	0	1	347.400	1.601	10	30		EDEEMN
C=C(C)COCCNc1nc[nH]c(=O)c1I	ZINC000165978608	526658072	/nfs/dbraw/zinc/65/80/72/526658072.db2.gz	YQHJAMUNEJNYRT-UHFFFAOYSA-N	0	1	335.145	1.379	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869685	527626904	/nfs/dbraw/zinc/62/69/04/527626904.db2.gz	UQEHRMFOMPVKID-QGZVFWFLSA-N	0	1	345.491	1.517	10	30		EDEEMN
CCN(CCC#N)C(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000105885452	441307161	/nfs/dbraw/zinc/30/71/61/441307161.db2.gz	VNEFWMMPLAZSMK-MRXNPFEDSA-N	0	1	332.452	1.369	10	30		EDEEMN
C=CCCS(=O)(=O)N(C)C1CCN(CCn2cccn2)CC1	ZINC000120488850	442080976	/nfs/dbraw/zinc/08/09/76/442080976.db2.gz	MYRZKGDAUMAITM-UHFFFAOYSA-N	0	1	326.466	1.185	10	30		EDEEMN
C=C[C@](C)(CC)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1	ZINC000135024673	442547862	/nfs/dbraw/zinc/54/78/62/442547862.db2.gz	VXBCNTSZBATQMB-PKOBYXMFSA-N	0	1	337.508	1.842	10	30		EDEEMN
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000246986253	442825800	/nfs/dbraw/zinc/82/58/00/442825800.db2.gz	UVQOIOJAWZORQO-GOEBONIOSA-N	0	1	331.416	1.241	10	30		EDEEMN
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000248449030	442893735	/nfs/dbraw/zinc/89/37/35/442893735.db2.gz	HVGGALPMOAPLOH-WMLDXEAASA-N	0	1	330.432	1.545	10	30		EDEEMN
C[C@@H](O)CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C	ZINC000173675390	533704407	/nfs/dbraw/zinc/70/44/07/533704407.db2.gz	ANMXGYFORIWKLP-ZIAGYGMSSA-N	0	1	341.415	1.495	10	30		EDEEMN
O=C(N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccn2cncc2c1	ZINC000328646101	444412073	/nfs/dbraw/zinc/41/20/73/444412073.db2.gz	SJAVFPYGEGOYJP-ZDUSSCGKSA-N	0	1	338.371	1.804	10	30		EDEEMN
C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105802670	527605114	/nfs/dbraw/zinc/60/51/14/527605114.db2.gz	SFEUFFMZHAWWLD-MRXNPFEDSA-N	0	1	329.448	1.578	10	30		EDEEMN
C[C@@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128668062	442280950	/nfs/dbraw/zinc/28/09/50/442280950.db2.gz	LAGCKZVLSNMJRO-GDBMZVCRSA-N	0	1	333.457	1.500	10	30		EDEEMN
C=CCNC(=O)[C@@H](C)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191980384	442553148	/nfs/dbraw/zinc/55/31/48/442553148.db2.gz	DJGLBSZFMNJZNX-CQSZACIVSA-N	0	1	339.480	1.415	10	30		EDEEMN
CC[C@@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000180832385	442664147	/nfs/dbraw/zinc/66/41/47/442664147.db2.gz	CBSVOTUUIVLDMO-IAGOWNOFSA-N	0	1	347.484	1.891	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCN1C[C@@H](C)O	ZINC000181719349	442712545	/nfs/dbraw/zinc/71/25/45/442712545.db2.gz	CCRHYWVUETZLAV-CJNGLKHVSA-N	0	1	348.422	1.684	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(N(C)c2cccnn2)CC1	ZINC000105806899	527627521	/nfs/dbraw/zinc/62/75/21/527627521.db2.gz	ALIPGENOMYAMDW-MRXNPFEDSA-N	0	1	343.475	1.966	10	30		EDEEMN
CN(C)C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000049379972	214004135	/nfs/dbraw/zinc/00/41/35/214004135.db2.gz	IIBULAWXQFCDQE-QGZVFWFLSA-N	0	1	336.395	1.916	10	30		EDEEMN
Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)n[nH]1	ZINC000123109510	222217549	/nfs/dbraw/zinc/21/75/49/222217549.db2.gz	FLCQIVBBXULDKE-ZDUSSCGKSA-N	0	1	347.400	1.055	10	30		EDEEMN
Cc1nc([C@@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173656003	441816035	/nfs/dbraw/zinc/81/60/35/441816035.db2.gz	LZDCNGGJXGHPQH-HNNXBMFYSA-N	0	1	340.387	1.387	10	30		EDEEMN
C=CCOCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650905	451301766	/nfs/dbraw/zinc/30/17/66/451301766.db2.gz	QUUBLOUGMVTDFW-DLBZAZTESA-N	0	1	346.427	1.813	10	30		EDEEMN
C=CCOCCCNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650905	451301769	/nfs/dbraw/zinc/30/17/69/451301769.db2.gz	QUUBLOUGMVTDFW-DLBZAZTESA-N	0	1	346.427	1.813	10	30		EDEEMN
C#CCN1CCC(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1	ZINC000122207160	222037076	/nfs/dbraw/zinc/03/70/76/222037076.db2.gz	POMBTSCHQVPJSC-QGZVFWFLSA-N	0	1	341.459	1.249	10	30		EDEEMN
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000184821755	443081485	/nfs/dbraw/zinc/08/14/85/443081485.db2.gz	HVGGALPMOAPLOH-RHSMWYFYSA-N	0	1	330.432	1.545	10	30		EDEEMN
CC(C)n1cc([C@@]2(O)CCN(CCOc3ccc(C#N)cc3)C2)nn1	ZINC000583618477	448447566	/nfs/dbraw/zinc/44/75/66/448447566.db2.gz	ZUDLZDLIXSOWEA-GOSISDBHSA-N	0	1	341.415	1.703	10	30		EDEEMN
C[C@H](C(=O)N(C)CCC#N)N1CCC(N(C)c2cccnn2)CC1	ZINC000105806646	237066038	/nfs/dbraw/zinc/06/60/38/237066038.db2.gz	OUTAUJQOHJGEJC-CQSZACIVSA-N	0	1	330.436	1.138	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)Cc2ccc(OCC#N)cc2)C[C@@H]1C	ZINC000174356191	237280000	/nfs/dbraw/zinc/28/00/00/237280000.db2.gz	PJDUFXRCBWFRQN-LSDHHAIUSA-N	0	1	331.416	1.045	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@H](C)N1CCCN(c2cccnn2)CC1	ZINC000105799515	441274023	/nfs/dbraw/zinc/27/40/23/441274023.db2.gz	JUTXJJCTEPQZFI-INIZCTEOSA-N	0	1	329.448	1.578	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CCN1C[C@@H](C)O	ZINC000105824924	441280620	/nfs/dbraw/zinc/28/06/20/441280620.db2.gz	VVABYKFYQKKSHT-HLLBOEOZSA-N	0	1	344.459	1.662	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173519557	441776671	/nfs/dbraw/zinc/77/66/71/441776671.db2.gz	FYYFUYQTKMZZKL-AWEZNQCLSA-N	0	1	343.412	1.677	10	30		EDEEMN
CCOCCN1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1CC	ZINC000120151622	442017303	/nfs/dbraw/zinc/01/73/03/442017303.db2.gz	RXIVDHIJXDCODF-HNNXBMFYSA-N	0	1	348.451	1.761	10	30		EDEEMN
N#CCOc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)cc1	ZINC000171684170	442370103	/nfs/dbraw/zinc/37/01/03/442370103.db2.gz	XPIPTQHHIHMRIJ-INIZCTEOSA-N	0	1	328.416	1.969	10	30		EDEEMN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](CO)[C@@H](c2ccsc2)C1	ZINC000249537429	442984278	/nfs/dbraw/zinc/98/42/78/442984278.db2.gz	CWJLCOVPIQKNNQ-VNQPRFMTSA-N	0	1	335.473	1.764	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)Nc3ccc(F)cc3C#N)CCO2)n[nH]1	ZINC000152914262	529700320	/nfs/dbraw/zinc/70/03/20/529700320.db2.gz	MYXYWROSJQZBOH-ZDUSSCGKSA-N	0	1	344.350	1.983	10	30		EDEEMN
CCc1nc([C@H]2CN(S(=O)(=O)c3ccccc3C#N)CCO2)n[nH]1	ZINC000123112446	222218909	/nfs/dbraw/zinc/21/89/09/222218909.db2.gz	WIHAVEFSBPHAQZ-GFCCVEGCSA-N	0	1	347.400	1.001	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000175365419	442049700	/nfs/dbraw/zinc/04/97/00/442049700.db2.gz	UVFYXUGQCMCNCT-CQSZACIVSA-N	0	1	326.360	1.268	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1	ZINC000177083530	442295506	/nfs/dbraw/zinc/29/55/06/442295506.db2.gz	CRPLEQBJAMGMKF-SJORKVTESA-N	0	1	331.416	1.161	10	30		EDEEMN
C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000113439066	299310309	/nfs/dbraw/zinc/31/03/09/299310309.db2.gz	FAUBXDSAICGMJQ-WMLDXEAASA-N	0	1	348.422	1.381	10	30		EDEEMN
N#Cc1c(Br)cccc1N1CCC[N@H+](CC(=O)[O-])CC1	ZINC000168387685	226212866	/nfs/dbraw/zinc/21/28/66/226212866.db2.gz	FSYWTFALGOEAFK-UHFFFAOYSA-N	0	1	338.205	1.917	10	30		EDEEMN
C=CCNC(=O)c1ccc(N2CCN(CCOC)[C@@H](CC)C2)nc1	ZINC000174737187	441962871	/nfs/dbraw/zinc/96/28/71/441962871.db2.gz	FIBGHIRRXZEMEO-INIZCTEOSA-N	0	1	332.448	1.544	10	30		EDEEMN
CCn1cc(O[C@@H]2CN(CCOc3ccccc3C#N)C[C@H]2O)cn1	ZINC000599502226	450026401	/nfs/dbraw/zinc/02/64/01/450026401.db2.gz	WXFNOISZFYDEOA-SJLPKXTDSA-N	0	1	342.399	1.278	10	30		EDEEMN
CC[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C[C@@H](C)O	ZINC000174621824	529268761	/nfs/dbraw/zinc/26/87/61/529268761.db2.gz	LMKNUAKHYUTPBJ-QAPCUYQASA-N	0	1	329.444	1.794	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)cc3C#N)CCO2)n[nH]1	ZINC000152914350	529701299	/nfs/dbraw/zinc/70/12/99/529701299.db2.gz	MYXYWROSJQZBOH-CYBMUJFWSA-N	0	1	344.350	1.983	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)n[nH]1	ZINC000128710828	237193821	/nfs/dbraw/zinc/19/38/21/237193821.db2.gz	OCXFYVFUORRSDO-HNNXBMFYSA-N	0	1	341.371	1.158	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000118858629	221197189	/nfs/dbraw/zinc/19/71/89/221197189.db2.gz	MJWAPCYSQIANNU-GOEBONIOSA-N	0	1	330.432	1.274	10	30		EDEEMN
C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N(CCC#N)c1ccccc1	ZINC000174083856	289977411	/nfs/dbraw/zinc/97/74/11/289977411.db2.gz	GVYYGELRNQWXLO-RDJZCZTQSA-N	0	1	330.432	1.242	10	30		EDEEMN
CCN1CCC[C@@H]1CN(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128656397	442279885	/nfs/dbraw/zinc/27/98/85/442279885.db2.gz	DBBZDBIWEBUJSE-MRXNPFEDSA-N	0	1	335.473	1.748	10	30		EDEEMN
CCN1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192738796	442682155	/nfs/dbraw/zinc/68/21/55/442682155.db2.gz	HLOIHINYTJNCGY-AWEZNQCLSA-N	0	1	345.447	1.654	10	30		EDEEMN
C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000248632618	442911133	/nfs/dbraw/zinc/91/11/33/442911133.db2.gz	RUAXALIUSQQAHI-QZTJIDSGSA-N	0	1	337.508	1.842	10	30		EDEEMN
CC(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)CCC[C@]2(C(=O)[O-])C1	ZINC000503719040	257830629	/nfs/dbraw/zinc/83/06/29/257830629.db2.gz	KRYOMHONTOKRRY-MJGOQNOKSA-N	0	1	341.411	1.703	10	30		EDEEMN
Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(C)c3C#N)CCO2)n[nH]1	ZINC000123109693	222216916	/nfs/dbraw/zinc/21/69/16/222216916.db2.gz	FLCQIVBBXULDKE-CYBMUJFWSA-N	0	1	347.400	1.055	10	30		EDEEMN
C#CCOc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(CC)n3)C2)cc1	ZINC000173563712	441792287	/nfs/dbraw/zinc/79/22/87/441792287.db2.gz	VCCKEVRDLQBYJR-OAHLLOKOSA-N	0	1	340.383	1.593	10	30		EDEEMN
C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000163252143	442153819	/nfs/dbraw/zinc/15/38/19/442153819.db2.gz	ZHEIJUPCJFPSHH-YVEFUNNKSA-N	0	1	349.456	1.549	10	30		EDEEMN
CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N(C)C	ZINC000191062439	443233162	/nfs/dbraw/zinc/23/31/62/443233162.db2.gz	DGYGVZKHRFLMBF-SJORKVTESA-N	0	1	342.443	1.506	10	30		EDEEMN
C[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000160787620	533808120	/nfs/dbraw/zinc/80/81/20/533808120.db2.gz	AKHMLLVTELZOBK-NSHDSACASA-N	0	1	327.837	1.974	10	30		EDEEMN
CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000247190651	536159632	/nfs/dbraw/zinc/15/96/32/536159632.db2.gz	OCOLJYKFBZXRIJ-WBVHZDCISA-N	0	1	344.459	1.928	10	30		EDEEMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3ccc(CC)cn3)C[C@H]2C1=O	ZINC000072447993	216237410	/nfs/dbraw/zinc/23/74/10/216237410.db2.gz	MMJFEXJWDQUDBM-YJBOKZPZSA-N	0	1	329.400	1.175	10	30		EDEEMN
Cc1nc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000246818677	139122788	/nfs/dbraw/zinc/12/27/88/139122788.db2.gz	CCAPFNVBKUAHPM-ABAIWWIYSA-N	0	1	340.387	1.385	10	30		EDEEMN
CCOCCN1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1CC	ZINC000105837771	441289984	/nfs/dbraw/zinc/28/99/84/441289984.db2.gz	BHBHWOMBCFHSOO-GOSISDBHSA-N	0	1	344.459	1.929	10	30		EDEEMN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3ccc(CCC)o3)C[C@H]2C1=O	ZINC000077489574	441791095	/nfs/dbraw/zinc/79/10/95/441791095.db2.gz	AKAZPAFFRXBMBA-YJBOKZPZSA-N	0	1	332.400	1.763	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)n[nH]1	ZINC000121302799	442200876	/nfs/dbraw/zinc/20/08/76/442200876.db2.gz	KOJXOKTXWZFBMR-LBPRGKRZSA-N	0	1	333.298	1.477	10	30		EDEEMN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](CO)[C@@H](c2ccsc2)C1	ZINC000249537425	442983421	/nfs/dbraw/zinc/98/34/21/442983421.db2.gz	CWJLCOVPIQKNNQ-FVQBIDKESA-N	0	1	335.473	1.764	10	30		EDEEMN
C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](CNc2ccccn2)C1	ZINC000249862158	443006934	/nfs/dbraw/zinc/00/69/34/443006934.db2.gz	GLTGHODFHQNAAF-KBPBESRZSA-N	0	1	331.420	1.216	10	30		EDEEMN
C=CCNC(=O)CN1CCC(N(CC)CC(=O)OC(C)(C)C)CC1	ZINC000190360969	443092767	/nfs/dbraw/zinc/09/27/67/443092767.db2.gz	HFOIARIHEJMTGQ-UHFFFAOYSA-N	0	1	339.480	1.417	10	30		EDEEMN
CCOc1cc(C)nc(N2CCN(CCCSCC#N)CC2)n1	ZINC000173886418	528255113	/nfs/dbraw/zinc/25/51/13/528255113.db2.gz	KMGRXRXNCBRPKK-UHFFFAOYSA-N	0	1	335.477	1.953	10	30		EDEEMN
N#Cc1ccc(N2CCC[C@](O)(c3c[nH]nn3)C2)c(Br)c1	ZINC000793981588	580863303	/nfs/dbraw/zinc/86/33/03/580863303.db2.gz	ULJZZXLBHPZFTI-CQSZACIVSA-N	0	1	348.204	1.927	10	30		EDEEMN
CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000125251371	597247579	/nfs/dbraw/zinc/24/75/79/597247579.db2.gz	LHPDDMSJQHAMNW-OAHLLOKOSA-N	0	1	335.429	1.379	10	30		EDEEMN
CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1	ZINC000125251371	597247581	/nfs/dbraw/zinc/24/75/81/597247581.db2.gz	LHPDDMSJQHAMNW-OAHLLOKOSA-N	0	1	335.429	1.379	10	30		EDEEMN
Cc1nc([C@@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n[nH]1	ZINC000173683530	231004654	/nfs/dbraw/zinc/00/46/54/231004654.db2.gz	JHPUHKAHUMANCB-NSHDSACASA-N	0	1	332.389	1.058	10	30		EDEEMN
C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000246620559	139115422	/nfs/dbraw/zinc/11/54/22/139115422.db2.gz	RYCJSIQDSONRHS-JQWIXIFHSA-N	0	1	341.383	1.694	10	30		EDEEMN
C=CCNC(=O)NC(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000076106915	441598103	/nfs/dbraw/zinc/59/81/03/441598103.db2.gz	VALWQFUHNZTQHI-CVEARBPZSA-N	0	1	331.416	1.586	10	30		EDEEMN
CC[C@@H]1CN(C(=O)COc2ccccc2C#N)CCN1C[C@@H](C)O	ZINC000174640297	441947978	/nfs/dbraw/zinc/94/79/78/441947978.db2.gz	UVQOIOJAWZORQO-GDBMZVCRSA-N	0	1	331.416	1.241	10	30		EDEEMN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C[C@H](C)O)[C@H](C)C1	ZINC000246554908	442792593	/nfs/dbraw/zinc/79/25/93/442792593.db2.gz	UIDSTRKJQYUXCF-KEYYUXOJSA-N	0	1	331.416	1.159	10	30		EDEEMN
C[C@H](O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000248638577	442911034	/nfs/dbraw/zinc/91/10/34/442911034.db2.gz	QWEDJOHFCKISKD-STQMWFEESA-N	0	1	334.395	1.294	10	30		EDEEMN
CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ncccc2C#N)CC1	ZINC000328623207	444398119	/nfs/dbraw/zinc/39/81/19/444398119.db2.gz	BSOWHUBEIZSFNO-OAHLLOKOSA-N	0	1	337.431	1.816	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000248657892	536885557	/nfs/dbraw/zinc/88/55/57/536885557.db2.gz	XPWZFPFKIREAHV-GXTWGEPZSA-N	0	1	337.445	1.574	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)Nc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000130042333	529700966	/nfs/dbraw/zinc/70/09/66/529700966.db2.gz	XCUJXRWIBCITGB-CYBMUJFWSA-N	0	1	326.360	1.844	10	30		EDEEMN
C[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000168631565	226218993	/nfs/dbraw/zinc/21/89/93/226218993.db2.gz	KUBLZNQVXDBDFU-LLVKDONJSA-N	0	1	327.837	1.974	10	30		EDEEMN
C#CCSCCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000121426242	441703816	/nfs/dbraw/zinc/70/38/16/441703816.db2.gz	ZVNJOBVGQRVBAF-KRWDZBQOSA-N	0	1	347.484	1.071	10	30		EDEEMN
CC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CCN1C[C@@H](C)O	ZINC000181719331	442712435	/nfs/dbraw/zinc/71/24/35/442712435.db2.gz	CCRHYWVUETZLAV-CZUORRHYSA-N	0	1	348.422	1.684	10	30		EDEEMN
C[C@H](O)CN1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C	ZINC000246942146	139127944	/nfs/dbraw/zinc/12/79/44/139127944.db2.gz	ANMXGYFORIWKLP-KBPBESRZSA-N	0	1	341.415	1.495	10	30		EDEEMN
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000247173652	139138873	/nfs/dbraw/zinc/13/88/73/139138873.db2.gz	RKYBNGGWUGYDIP-KBPBESRZSA-N	0	1	337.420	1.945	10	30		EDEEMN
CC[C@H](O)CN1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000118859003	221198016	/nfs/dbraw/zinc/19/80/16/221198016.db2.gz	XOWKZSGSYKIPST-PBHICJAKSA-N	0	1	330.432	1.274	10	30		EDEEMN
CC[C@H](O)CN1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000118859316	441908738	/nfs/dbraw/zinc/90/87/38/441908738.db2.gz	NDZGECPEWAOSQU-SFHVURJKSA-N	0	1	344.459	1.322	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(Cc3ccc(C#N)o3)CC2)C1	ZINC000121039809	442169399	/nfs/dbraw/zinc/16/93/99/442169399.db2.gz	QLIVNYQEAUWGCB-GOSISDBHSA-N	0	1	332.448	1.378	10	30		EDEEMN
C=CCOc1ccccc1CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1	ZINC000186164371	442475580	/nfs/dbraw/zinc/47/55/80/442475580.db2.gz	LQSIMESEAWNXIW-JKSUJKDBSA-N	0	1	347.459	1.848	10	30		EDEEMN
CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cc(C#N)n(C)c2)C1	ZINC000583617532	448445478	/nfs/dbraw/zinc/44/54/78/448445478.db2.gz	NGKBQHWLZSWRDN-CABCVRRESA-N	0	1	326.404	1.854	10	30		EDEEMN
Cc1cc(C#N)nc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cncn2C)n1	ZINC000585790471	448774189	/nfs/dbraw/zinc/77/41/89/448774189.db2.gz	QQTVCDYGAGFENE-WMLDXEAASA-N	0	1	339.447	1.910	10	30		EDEEMN
C#CCN(CC)S(=O)(=O)c1cc(CN)sc1Br	ZINC000165086641	526898309	/nfs/dbraw/zinc/89/83/09/526898309.db2.gz	FQEYIKGLCFEPJO-UHFFFAOYSA-N	0	1	337.264	1.613	10	30		EDEEMN
Cc1nc([C@H]2CN(CC(=O)Nc3sccc3C#N)CCO2)n[nH]1	ZINC000173683543	231004184	/nfs/dbraw/zinc/00/41/84/231004184.db2.gz	JHPUHKAHUMANCB-LLVKDONJSA-N	0	1	332.389	1.058	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)Nc3ccc(F)c(C#N)c3)CCO2)n[nH]1	ZINC000122121397	222018398	/nfs/dbraw/zinc/01/83/98/222018398.db2.gz	VEOFPNPLBXLEKT-CYBMUJFWSA-N	0	1	344.350	1.983	10	30		EDEEMN
O=C([C@@H]1CSC(c2cccc(O)c2O)=N1)N(O)CCc1cnc[nH]1	ZINC000014421808	441184417	/nfs/dbraw/zinc/18/44/17/441184417.db2.gz	GBKVAPJMXMGXJK-NSHDSACASA-N	0	1	348.384	1.143	10	30	in-vitro	EDEEMN
C#CCOc1ccc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc1	ZINC000173529075	441780732	/nfs/dbraw/zinc/78/07/32/441780732.db2.gz	WRBDCBGHUKWZGY-HNNXBMFYSA-N	0	1	326.356	1.339	10	30		EDEEMN
Cc1nc([C@@H]2CN(Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n[nH]1	ZINC000180109054	442542249	/nfs/dbraw/zinc/54/22/49/442542249.db2.gz	AKFWEBQDPQYKKJ-LRDDRELGSA-N	0	1	327.388	1.978	10	30		EDEEMN
C=CCOCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650908	451301611	/nfs/dbraw/zinc/30/16/11/451301611.db2.gz	QUUBLOUGMVTDFW-SJORKVTESA-N	0	1	346.427	1.813	10	30		EDEEMN
C=CCOCCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650908	451301615	/nfs/dbraw/zinc/30/16/15/451301615.db2.gz	QUUBLOUGMVTDFW-SJORKVTESA-N	0	1	346.427	1.813	10	30		EDEEMN
N#Cc1ccccc1Nc1nc[nH]c(=O)c1I	ZINC000167372584	534817499	/nfs/dbraw/zinc/81/74/99/534817499.db2.gz	NNCVKJVIRXLGEM-UHFFFAOYSA-N	0	1	338.108	1.990	10	30		EDEEMN
CCN1CCC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124406017	535538367	/nfs/dbraw/zinc/53/83/67/535538367.db2.gz	MDSZCCHTMIIRLC-LLVKDONJSA-N	0	1	329.372	1.599	10	30		EDEEMN
Cc1cc(C)nc(NC(=N)NCc2ccc3c(c2)OCCCO3)n1	ZINC000072461507	216244152	/nfs/dbraw/zinc/24/41/52/216244152.db2.gz	QPZCYOGEPMNMDD-UHFFFAOYSA-N	0	1	327.388	1.991	10	30		EDEEMN
N#CC1(NC(=O)CN2CCC[C@@H](Cn3cncn3)C2)CCCCC1	ZINC000105883258	441305363	/nfs/dbraw/zinc/30/53/63/441305363.db2.gz	AOKUPEOLQCOTLY-OAHLLOKOSA-N	0	1	330.436	1.333	10	30		EDEEMN
C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000113439069	441609090	/nfs/dbraw/zinc/60/90/90/441609090.db2.gz	FAUBXDSAICGMJQ-RHSMWYFYSA-N	0	1	348.422	1.381	10	30		EDEEMN
Cc1ccc(N(CCC#N)C(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1	ZINC000114803174	441685380	/nfs/dbraw/zinc/68/53/80/441685380.db2.gz	YCFWFNBQHLEKMZ-FUHWJXTLSA-N	0	1	344.459	1.550	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000175365403	442050390	/nfs/dbraw/zinc/05/03/90/442050390.db2.gz	UVFYXUGQCMCNCT-AWEZNQCLSA-N	0	1	326.360	1.268	10	30		EDEEMN
CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000182186066	442743055	/nfs/dbraw/zinc/74/30/55/442743055.db2.gz	VMBRFBISQXQRHK-ZDUSSCGKSA-N	0	1	337.445	1.503	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000246319003	442772151	/nfs/dbraw/zinc/77/21/51/442772151.db2.gz	CXMVLYFRQKGTQE-ZTFGCOKTSA-N	0	1	345.443	1.549	10	30		EDEEMN
CC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000246318987	442772356	/nfs/dbraw/zinc/77/23/56/442772356.db2.gz	CXMVLYFRQKGTQE-QGTPRVQTSA-N	0	1	345.443	1.549	10	30		EDEEMN
C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCN(CC)C1	ZINC000174768125	695483478	/nfs/dbraw/zinc/48/34/78/695483478.db2.gz	QWTOHROTCNTXIF-AWEZNQCLSA-N	0	1	347.390	1.377	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)NCc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000177927561	529698993	/nfs/dbraw/zinc/69/89/93/529698993.db2.gz	GOWTYPPKLUATTK-AWEZNQCLSA-N	0	1	340.387	1.522	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(c2ccc(C)nn2)CC1	ZINC000247154923	249314982	/nfs/dbraw/zinc/31/49/82/249314982.db2.gz	LXSLHEBGCFETCN-QGZVFWFLSA-N	0	1	343.475	1.886	10	30		EDEEMN
C=CCOc1ccccc1C(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000173526890	441778857	/nfs/dbraw/zinc/77/88/57/441778857.db2.gz	POCINDHQEWFZHH-HNNXBMFYSA-N	0	1	328.372	1.892	10	30		EDEEMN
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125367015	442015182	/nfs/dbraw/zinc/01/51/82/442015182.db2.gz	RYCJSIQDSONRHS-ZYHUDNBSSA-N	0	1	341.383	1.694	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)NCc3ccc(C#N)cc3F)CCO2)n[nH]1	ZINC000175510232	442078362	/nfs/dbraw/zinc/07/83/62/442078362.db2.gz	JYLBGADJISYUKP-CQSZACIVSA-N	0	1	344.350	1.407	10	30		EDEEMN
N#Cc1ccc(CN[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000156158047	442451453	/nfs/dbraw/zinc/45/14/53/442451453.db2.gz	NDLUIFXGHOTILR-GJZGRUSLSA-N	0	1	333.369	1.712	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCO[C@H](c3cnn(CC)c3)C2)CC1	ZINC000191731955	442500732	/nfs/dbraw/zinc/50/07/32/442500732.db2.gz	GUGVWNMLRMDDQC-KRWDZBQOSA-N	0	1	330.432	1.148	10	30		EDEEMN
CCOC(=O)[C@@H]1CNCCN1c1cccc(Br)c1C#N	ZINC000169080898	527889661	/nfs/dbraw/zinc/88/96/61/527889661.db2.gz	LCSGRAZQCWHJKN-ZDUSSCGKSA-N	0	1	338.205	1.662	10	30		EDEEMN
CCc1nc([C@@H]2CN(c3ccc([N+](=O)[O-])cc3C#N)CCO2)n[nH]1	ZINC000131667651	529700902	/nfs/dbraw/zinc/70/09/02/529700902.db2.gz	RWRMPLOZBIADCJ-ZDUSSCGKSA-N	0	1	328.332	1.725	10	30		EDEEMN
C=C(C)C[C@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000185544669	443217265	/nfs/dbraw/zinc/21/72/65/443217265.db2.gz	RUAXALIUSQQAHI-ZWKOTPCHSA-N	0	1	337.508	1.842	10	30		EDEEMN
C#CCN(CC1CC1)c1nc[nH]c(=O)c1I	ZINC000167516196	526899700	/nfs/dbraw/zinc/89/97/00/526899700.db2.gz	DMGFWTATCNEIAH-UHFFFAOYSA-N	0	1	329.141	1.224	10	30		EDEEMN
Cn1cnnc1C[C@@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1	ZINC000888077425	590933168	/nfs/dbraw/zinc/93/31/68/590933168.db2.gz	APDNEEYRDGERPH-KRWDZBQOSA-N	0	1	329.379	1.395	10	30		EDEEMN
CC[C@H](O)CN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000118859000	441908338	/nfs/dbraw/zinc/90/83/38/441908338.db2.gz	XOWKZSGSYKIPST-YOEHRIQHSA-N	0	1	330.432	1.274	10	30		EDEEMN
C[C@H](O)C[N@H+]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1C	ZINC000248600194	442904711	/nfs/dbraw/zinc/90/47/11/442904711.db2.gz	IXGYTPSNNQTFMO-GJZGRUSLSA-N	0	1	346.431	1.034	10	30		EDEEMN
C[C@H](O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1C	ZINC000248600194	442904714	/nfs/dbraw/zinc/90/47/14/442904714.db2.gz	IXGYTPSNNQTFMO-GJZGRUSLSA-N	0	1	346.431	1.034	10	30		EDEEMN
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249537427	442983669	/nfs/dbraw/zinc/98/36/69/442983669.db2.gz	CWJLCOVPIQKNNQ-KBMXLJTQSA-N	0	1	335.473	1.764	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CCN1CCOC	ZINC000246429284	442780457	/nfs/dbraw/zinc/78/04/57/442780457.db2.gz	LECYJJSFTPHXHO-QZTJIDSGSA-N	0	1	345.443	1.815	10	30		EDEEMN
C#CCC(C)(C)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000185544749	443217113	/nfs/dbraw/zinc/21/71/13/443217113.db2.gz	KTSLXOVXBHMPHM-QGZVFWFLSA-N	0	1	335.492	1.289	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(CCOC)[C@H](CC)C1	ZINC000105836766	526542092	/nfs/dbraw/zinc/54/20/92/526542092.db2.gz	SWIACTLBLFMGQF-DLBZAZTESA-N	0	1	325.497	1.842	10	30		EDEEMN
C#CCOc1ccccc1CN1CCO[C@@H](c2n[nH]c(CC)n2)C1	ZINC000129171537	527126991	/nfs/dbraw/zinc/12/69/91/527126991.db2.gz	UZPNMTMLBQPYHF-MRXNPFEDSA-N	0	1	326.400	1.953	10	30		EDEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181741483	700001335	/nfs/dbraw/zinc/00/13/35/700001335.db2.gz	KMMFMHYDOXRQOV-UONOGXRCSA-N	0	1	344.415	1.516	10	30		EDEEMN
Cc1nc([C@@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173683899	231004270	/nfs/dbraw/zinc/00/42/70/231004270.db2.gz	BHDYNPBRIINOCJ-HNNXBMFYSA-N	0	1	340.387	1.387	10	30		EDEEMN
CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCN1C[C@@H](C)O	ZINC000105824950	441280514	/nfs/dbraw/zinc/28/05/14/441280514.db2.gz	KXLHMKQJDRGDRR-RVKKMQEKSA-N	0	1	344.459	1.662	10	30		EDEEMN
CN(CCC#N)C(=O)CCN1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000131504059	442373600	/nfs/dbraw/zinc/37/36/00/442373600.db2.gz	BNRUIVIGXPCACO-SFHVURJKSA-N	0	1	344.459	1.100	10	30		EDEEMN
C=C(Br)CNC(=O)N1CCN(C[C@@H](C)O)[C@@H](CC)C1	ZINC000184969112	698726786	/nfs/dbraw/zinc/72/67/86/698726786.db2.gz	VXHQGARJXCZABG-NEPJUHHUSA-N	0	1	334.258	1.382	10	30		EDEEMN
CCN(C[C@H](C)C#N)C(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247151240	249314749	/nfs/dbraw/zinc/31/47/49/249314749.db2.gz	LQGHDVVMJGNLFP-CVEARBPZSA-N	0	1	344.463	1.385	10	30		EDEEMN
CCOCCN1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1CC	ZINC000105837773	441290440	/nfs/dbraw/zinc/29/04/40/441290440.db2.gz	BHBHWOMBCFHSOO-SFHVURJKSA-N	0	1	344.459	1.929	10	30		EDEEMN
CCN(CCC#N)C(=O)CN1CCC[C@H](Cn2nc(C)nc2C)C1	ZINC000105885451	441306776	/nfs/dbraw/zinc/30/67/76/441306776.db2.gz	VNEFWMMPLAZSMK-INIZCTEOSA-N	0	1	332.452	1.369	10	30		EDEEMN
COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(C[C@@H](C)O)[C@H](C)C1	ZINC000177053899	442290633	/nfs/dbraw/zinc/29/06/33/442290633.db2.gz	UIDSTRKJQYUXCF-CPUCHLNUSA-N	0	1	331.416	1.159	10	30		EDEEMN
CCc1nc([C@@H]2CN(Cc3ccc(OC)c(C#N)c3)CCO2)n[nH]1	ZINC000129112878	529699964	/nfs/dbraw/zinc/69/99/64/529699964.db2.gz	KRVATHXPGNKQQX-HNNXBMFYSA-N	0	1	327.388	1.821	10	30		EDEEMN
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](Cn2nc(C)nc2C)C1	ZINC000247025935	249314009	/nfs/dbraw/zinc/31/40/09/249314009.db2.gz	CXAYUNFGTIQAPD-WMLDXEAASA-N	0	1	346.479	1.615	10	30		EDEEMN
Cc1nc([C@@H]2CN(CCC(=O)Nc3sccc3C#N)CCO2)n[nH]1	ZINC000173663376	441819393	/nfs/dbraw/zinc/81/93/93/441819393.db2.gz	LAPZSMZBISSWBE-LBPRGKRZSA-N	0	1	346.416	1.448	10	30		EDEEMN
CN(CCC#N)C(=O)CCN1CCN(c2nc3ccccc3o2)CC1	ZINC000181561737	442703874	/nfs/dbraw/zinc/70/38/74/442703874.db2.gz	QWXSBGMHCUUANU-UHFFFAOYSA-N	0	1	341.415	1.712	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@H](C)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869683	527633496	/nfs/dbraw/zinc/63/34/96/527633496.db2.gz	UQEHRMFOMPVKID-KRWDZBQOSA-N	0	1	345.491	1.517	10	30		EDEEMN
CC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CCN1C[C@@H](C)O	ZINC000174610679	529364861	/nfs/dbraw/zinc/36/48/61/529364861.db2.gz	PJMCAONHOVSJMO-NVXWUHKLSA-N	0	1	345.443	1.435	10	30		EDEEMN
C[C@@H](O)CN1CCN(CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000105821492	533698735	/nfs/dbraw/zinc/69/87/35/533698735.db2.gz	LMYNSJPBZQJQRQ-DLBZAZTESA-N	0	1	344.459	1.320	10	30		EDEEMN
C[C@@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000176244235	442198894	/nfs/dbraw/zinc/19/88/94/442198894.db2.gz	QYSDQBVTHZQTEN-GDBMZVCRSA-N	0	1	333.457	1.500	10	30		EDEEMN
CCN1CCC[C@H]1CN(C)CCS(=O)(=O)c1cccc(C#N)c1	ZINC000128656665	442280440	/nfs/dbraw/zinc/28/04/40/442280440.db2.gz	DBBZDBIWEBUJSE-INIZCTEOSA-N	0	1	335.473	1.748	10	30		EDEEMN
CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CCN1C[C@H](C)O	ZINC000247006546	442827961	/nfs/dbraw/zinc/82/79/61/442827961.db2.gz	VXOYBXNIPPKATN-ZMSDIMECSA-N	0	1	345.443	1.629	10	30		EDEEMN
C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000105803190	526518850	/nfs/dbraw/zinc/51/88/50/526518850.db2.gz	WZQIKDNWKXXNRW-MRXNPFEDSA-N	0	1	331.464	1.802	10	30		EDEEMN
CCOCCN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]1CC	ZINC000105837815	528751129	/nfs/dbraw/zinc/75/11/29/528751129.db2.gz	BAIPBDQQDOMIRP-WMZOPIPTSA-N	0	1	336.480	1.228	10	30		EDEEMN
CCc1nc([C@@H]2CN(c3nnc(CC)c(CC)c3C#N)CCO2)n[nH]1	ZINC000131550046	529701196	/nfs/dbraw/zinc/70/11/96/529701196.db2.gz	ZVFZDESAURWKIP-AWEZNQCLSA-N	0	1	341.419	1.731	10	30		EDEEMN
C[C@@H](C(=O)N(C)CCC#N)N1CCC(N(C)c2cccnn2)CC1	ZINC000105806642	237066279	/nfs/dbraw/zinc/06/62/79/237066279.db2.gz	OUTAUJQOHJGEJC-AWEZNQCLSA-N	0	1	330.436	1.138	10	30		EDEEMN
CC[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C[C@@H](C)O	ZINC000174606452	441944230	/nfs/dbraw/zinc/94/42/30/441944230.db2.gz	MUMFWGBJODRUPW-NCQICXCDSA-N	0	1	327.428	1.875	10	30		EDEEMN
C[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H]1N1CCOCC1	ZINC000177272804	442323623	/nfs/dbraw/zinc/32/36/23/442323623.db2.gz	PRZHAIMFRYQCCA-IRXDYDNUSA-N	0	1	348.491	1.324	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)CCO2)n[nH]1	ZINC000180483125	442609780	/nfs/dbraw/zinc/60/97/80/442609780.db2.gz	DTFMFOTVBMGZRD-HNNXBMFYSA-N	0	1	337.383	1.882	10	30		EDEEMN
CCOCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000157951866	442631666	/nfs/dbraw/zinc/63/16/66/442631666.db2.gz	VPAQYLLEHRRRRH-INIZCTEOSA-N	0	1	347.459	1.988	10	30		EDEEMN
C#CCOc1ccccc1NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1	ZINC000188132896	442714890	/nfs/dbraw/zinc/71/48/90/442714890.db2.gz	XFNKKUHXSZPGNT-HNNXBMFYSA-N	0	1	341.371	1.731	10	30		EDEEMN
Cc1nc([C@@H]2CN(Cc3ccc(O[C@H](C)C#N)cc3)CCO2)n[nH]1	ZINC000245684822	443244149	/nfs/dbraw/zinc/24/41/49/443244149.db2.gz	AKFWEBQDPQYKKJ-WBMJQRKESA-N	0	1	327.388	1.978	10	30		EDEEMN
CC[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000245951313	139091035	/nfs/dbraw/zinc/09/10/35/139091035.db2.gz	CBSVOTUUIVLDMO-IRXDYDNUSA-N	0	1	347.484	1.891	10	30		EDEEMN
N#CCCN(CCC#N)C(=O)CN1CCC(Cn2cccn2)CC1	ZINC000105887235	441308103	/nfs/dbraw/zinc/30/81/03/441308103.db2.gz	AICNAPNUWNPZBT-UHFFFAOYSA-N	0	1	328.420	1.251	10	30		EDEEMN
Cc1nc([C@H]2CN(Cc3ccc(O[C@@H](C)C#N)cc3)CCO2)n[nH]1	ZINC000180109072	442542296	/nfs/dbraw/zinc/54/22/96/442542296.db2.gz	AKFWEBQDPQYKKJ-BLLLJJGKSA-N	0	1	327.388	1.978	10	30		EDEEMN
Cc1nc([C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3C)CCO2)n[nH]1	ZINC000173734163	231017500	/nfs/dbraw/zinc/01/75/00/231017500.db2.gz	KDPXHZBVTLEBRZ-CYBMUJFWSA-N	0	1	347.400	1.055	10	30		EDEEMN
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125367236	300316218	/nfs/dbraw/zinc/31/62/18/300316218.db2.gz	RYCJSIQDSONRHS-CMPLNLGQSA-N	0	1	341.383	1.694	10	30		EDEEMN
CC[C@H](O)CN1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1	ZINC000177083519	442295560	/nfs/dbraw/zinc/29/55/60/442295560.db2.gz	CRPLEQBJAMGMKF-IRXDYDNUSA-N	0	1	331.416	1.161	10	30		EDEEMN
Cc1nc([C@@H]2CN([C@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)n[nH]1	ZINC000247226938	442842205	/nfs/dbraw/zinc/84/22/05/442842205.db2.gz	WNQJKICXHZBCBP-OCCSQVGLSA-N	0	1	346.435	1.218	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c(F)c1	ZINC000158467374	534774365	/nfs/dbraw/zinc/77/43/65/534774365.db2.gz	WSCWGXFUDNMLQZ-CQSZACIVSA-N	0	1	338.335	1.848	10	30		EDEEMN
C=CCSCCNC(=O)N1CCO[C@H](c2n[nH]c(CC)n2)C1	ZINC000178027119	526990235	/nfs/dbraw/zinc/99/02/35/526990235.db2.gz	DDFPZEFFFLXGJG-NSHDSACASA-N	0	1	325.438	1.369	10	30		EDEEMN
CCOC(=O)[C@H]1CNCCN1c1cccc(Br)c1C#N	ZINC000169080988	528084771	/nfs/dbraw/zinc/08/47/71/528084771.db2.gz	LCSGRAZQCWHJKN-CYBMUJFWSA-N	0	1	338.205	1.662	10	30		EDEEMN
CC[C@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCN1CCOC	ZINC000177054815	529301020	/nfs/dbraw/zinc/30/10/20/529301020.db2.gz	LECYJJSFTPHXHO-ROUUACIJSA-N	0	1	345.443	1.815	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C[C@H](C)O)[C@H](CC)C1	ZINC000247245316	533501324	/nfs/dbraw/zinc/50/13/24/533501324.db2.gz	SRLPNNCMLAUHEQ-YESZJQIVSA-N	0	1	325.497	1.577	10	30		EDEEMN
CN1CCN(C)[C@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)C1	ZINC000329384675	290035684	/nfs/dbraw/zinc/03/56/84/290035684.db2.gz	RSUIZDUDNVDEGL-HZPDHXFCSA-N	0	1	336.480	1.370	10	30		EDEEMN
CCOCCN1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1CC	ZINC000105837701	441290502	/nfs/dbraw/zinc/29/05/02/441290502.db2.gz	PVPCHRRHEIISNH-GOSISDBHSA-N	0	1	344.459	1.929	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)NCc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000136785826	441723734	/nfs/dbraw/zinc/72/37/34/441723734.db2.gz	YQECJTOWZJJICS-AWEZNQCLSA-N	0	1	340.387	1.522	10	30		EDEEMN
CCc1nc([C@@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)n[nH]1	ZINC000121314533	442202121	/nfs/dbraw/zinc/20/21/21/442202121.db2.gz	DXRDQNYIJWGXCG-LBPRGKRZSA-N	0	1	347.325	1.731	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CCN1C[C@H](C)O	ZINC000248449032	442892872	/nfs/dbraw/zinc/89/28/72/442892872.db2.gz	HVGGALPMOAPLOH-YOEHRIQHSA-N	0	1	330.432	1.545	10	30		EDEEMN
C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000168631465	533808171	/nfs/dbraw/zinc/80/81/71/533808171.db2.gz	KUBLZNQVXDBDFU-NSHDSACASA-N	0	1	327.837	1.974	10	30		EDEEMN
C[C@@H](C(=O)[O-])N1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)[C@H]1C#N	ZINC000071682798	203103199	/nfs/dbraw/zinc/10/31/99/203103199.db2.gz	SPTSXLXSEUSQJQ-SMDDNHRTSA-N	0	1	343.383	1.653	10	30		EDEEMN
CN1C(=C(O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	ZINC000040884328	277005225	/nfs/dbraw/zinc/00/52/25/277005225.db2.gz	WZWYJBNHTWCXIM-JLHYYAGUSA-N	0	1	337.382	1.799	10	30		EDEEMN
CC(C)CCN(CC(=O)N1CCNCC1)C(=O)c1ccc(C#N)cc1	ZINC000015864073	441212848	/nfs/dbraw/zinc/21/28/48/441212848.db2.gz	ALFAZCFEEUAOBN-UHFFFAOYSA-N	0	1	342.443	1.478	10	30		EDEEMN
C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(c2cccnn2)CC1	ZINC000105799517	441273773	/nfs/dbraw/zinc/27/37/73/441273773.db2.gz	JUTXJJCTEPQZFI-MRXNPFEDSA-N	0	1	329.448	1.578	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)CCO2)n[nH]1	ZINC000121314684	442202301	/nfs/dbraw/zinc/20/23/01/442202301.db2.gz	DXRDQNYIJWGXCG-GFCCVEGCSA-N	0	1	347.325	1.731	10	30		EDEEMN
Cc1nc([C@H]2CN(CCCOc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000156556358	442493829	/nfs/dbraw/zinc/49/38/29/442493829.db2.gz	RCBVVMWZKKAUQF-MRXNPFEDSA-N	0	1	327.388	1.827	10	30		EDEEMN
CCN(CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)nn2)CC1	ZINC000192242241	442621386	/nfs/dbraw/zinc/62/13/86/442621386.db2.gz	OUTSXZAKXVBEAO-UHFFFAOYSA-N	0	1	345.447	1.981	10	30		EDEEMN
CC[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN1C[C@@H](C)O	ZINC000174601218	529283840	/nfs/dbraw/zinc/28/38/40/529283840.db2.gz	UHNOBPGBQICVHT-CABCVRRESA-N	0	1	331.416	1.506	10	30		EDEEMN
Cc1nc(S(=O)(=O)Nc2cc(C#CCO)ccc2Cl)c[nH]1	ZINC000070420650	202334244	/nfs/dbraw/zinc/33/42/44/202334244.db2.gz	WQRCUVODMXPTRL-UHFFFAOYSA-N	0	1	325.777	1.516	10	30		EDEEMN
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000129408478	205193375	/nfs/dbraw/zinc/19/33/75/205193375.db2.gz	GTKGREBRTXDBBM-MRXNPFEDSA-N	0	1	328.416	1.733	10	30		EDEEMN
COCCN1CCN(CCOc2ccc(C#N)cc2OC)C[C@H]1C	ZINC000157949696	206165591	/nfs/dbraw/zinc/16/55/91/206165591.db2.gz	DYMZYYOONGDKQF-OAHLLOKOSA-N	0	1	333.432	1.598	10	30		EDEEMN
CC[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000118859001	221197673	/nfs/dbraw/zinc/19/76/73/221197673.db2.gz	XOWKZSGSYKIPST-WMLDXEAASA-N	0	1	330.432	1.274	10	30		EDEEMN
Cc1nc([C@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCO2)n[nH]1	ZINC000173656019	441815711	/nfs/dbraw/zinc/81/57/11/441815711.db2.gz	LZDCNGGJXGHPQH-OAHLLOKOSA-N	0	1	340.387	1.387	10	30		EDEEMN
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](CNc2ccccn2)C1	ZINC000195515940	443027180	/nfs/dbraw/zinc/02/71/80/443027180.db2.gz	GLTGHODFHQNAAF-ZIAGYGMSSA-N	0	1	331.420	1.216	10	30		EDEEMN
Cc1nc([C@H]2CN(Cc3ccc(O[C@H](C)C#N)cc3)CCO2)n[nH]1	ZINC000245684820	443243716	/nfs/dbraw/zinc/24/37/16/443243716.db2.gz	AKFWEBQDPQYKKJ-MLGOLLRUSA-N	0	1	327.388	1.978	10	30		EDEEMN
COCCN(CCC#N)C(=O)c1cc(Br)cnc1NN	ZINC000071233158	203088945	/nfs/dbraw/zinc/08/89/45/203088945.db2.gz	IAWAIWZLYPQHEA-UHFFFAOYSA-N	0	1	342.197	1.132	10	30		EDEEMN
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000248562184	442900462	/nfs/dbraw/zinc/90/04/62/442900462.db2.gz	CVPVHJORODGMMP-ZQDZILKHSA-N	0	1	337.464	1.912	10	30		EDEEMN
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000185797836	443258877	/nfs/dbraw/zinc/25/88/77/443258877.db2.gz	XPWZFPFKIREAHV-OCCSQVGLSA-N	0	1	337.445	1.574	10	30		EDEEMN
CC(=O)N[C@H]1CCCN(Cn2c(C)nnc2-c2cccc(C#N)c2)C1	ZINC000131060445	597661634	/nfs/dbraw/zinc/66/16/34/597661634.db2.gz	QURAAVOXFJWGHT-KRWDZBQOSA-N	0	1	338.415	1.683	10	30		EDEEMN
C[NH+]1CCC(Oc2cccc3c2C(=O)N(CCC(=O)[O-])[C@H]3C#N)CC1	ZINC000071682803	203103296	/nfs/dbraw/zinc/10/32/96/203103296.db2.gz	NLIPEYJODDJMDC-AWEZNQCLSA-N	0	1	343.383	1.655	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(F)c1	ZINC000126195205	205045200	/nfs/dbraw/zinc/04/52/00/205045200.db2.gz	ZXPPTRUOAWPVAV-LLVKDONJSA-N	0	1	339.327	1.241	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)CC1	ZINC000116776762	441843111	/nfs/dbraw/zinc/84/31/11/441843111.db2.gz	QPYHIUBACIUKAK-QGZVFWFLSA-N	0	1	343.475	1.479	10	30		EDEEMN
C=C[C@](C)(CC)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1	ZINC000135024642	442547775	/nfs/dbraw/zinc/54/77/75/442547775.db2.gz	VXBCNTSZBATQMB-IEBWSBKVSA-N	0	1	337.508	1.842	10	30		EDEEMN
Cn1cncc1[C@H]1[C@H](CNC(=O)c2ccnc(C#N)c2)CCCN1C	ZINC000583619575	486278612	/nfs/dbraw/zinc/27/86/12/486278612.db2.gz	VFOVPNSWUUZGQT-WMLDXEAASA-N	0	1	338.415	1.500	10	30		EDEEMN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccco1)CC2	ZINC000072141737	216027531	/nfs/dbraw/zinc/02/75/31/216027531.db2.gz	ATPOCTPKXQHWNU-HNNXBMFYSA-N	0	1	348.399	1.753	10	30		EDEEMN
CC(C)N1C(=O)C(=O)N=C1NC(=N)Nc1ccc(Cl)c(Cl)c1	ZINC000005760359	201361595	/nfs/dbraw/zinc/36/15/95/201361595.db2.gz	XAILJIHTVLFMMJ-UHFFFAOYSA-N	0	1	342.186	1.853	10	30		EDEEMN
C#CCN1CCC(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)CC1	ZINC000067204928	441617581	/nfs/dbraw/zinc/61/75/81/441617581.db2.gz	LBAFEVFEYBEEAX-ULQDDVLXSA-N	0	1	332.444	1.664	10	30		EDEEMN
CCOCCN1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1CC	ZINC000120151467	442018119	/nfs/dbraw/zinc/01/81/19/442018119.db2.gz	RXIVDHIJXDCODF-OAHLLOKOSA-N	0	1	348.451	1.761	10	30		EDEEMN
C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1	ZINC000120161880	442020649	/nfs/dbraw/zinc/02/06/49/442020649.db2.gz	OQIAXBOKNOTFRA-AWEZNQCLSA-N	0	1	336.457	1.941	10	30		EDEEMN
Cc1nc([C@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173683912	231004170	/nfs/dbraw/zinc/00/41/70/231004170.db2.gz	BHDYNPBRIINOCJ-OAHLLOKOSA-N	0	1	340.387	1.387	10	30		EDEEMN
COc1cc2c(c(OC)c1OC)C(=O)N(CC(C)(C)CO)[C@@H]2C#N	ZINC000071682366	203103803	/nfs/dbraw/zinc/10/38/03/203103803.db2.gz	QBEHJPUFNILODM-LLVKDONJSA-N	0	1	334.372	1.751	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000247250520	249315467	/nfs/dbraw/zinc/31/54/67/249315467.db2.gz	TWKBTHDIQNYVTG-QZTJIDSGSA-N	0	1	333.480	1.157	10	30		EDEEMN
CC[C@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN1C[C@H](C)O	ZINC000248456796	139164928	/nfs/dbraw/zinc/16/49/28/139164928.db2.gz	OCGVGRLQKLOEDX-YOEHRIQHSA-N	0	1	330.432	1.545	10	30		EDEEMN
C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccc2c(c1)OCCO2	ZINC000176484642	533343934	/nfs/dbraw/zinc/34/39/34/533343934.db2.gz	LHKYJGXTWZNZLI-CQSZACIVSA-N	0	1	342.399	1.764	10	30		EDEEMN
C#CCCCCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000155035828	442371837	/nfs/dbraw/zinc/37/18/37/442371837.db2.gz	YBXLSMGHHFGYAA-SFHVURJKSA-N	0	1	329.444	1.508	10	30		EDEEMN
Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C#N	ZINC000249238059	442961760	/nfs/dbraw/zinc/96/17/60/442961760.db2.gz	WFQLIYDOCXQDLS-KGLIPLIRSA-N	0	1	326.400	1.500	10	30		EDEEMN
C#CCOc1ccc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1	ZINC000173529091	441779528	/nfs/dbraw/zinc/77/95/28/441779528.db2.gz	WRBDCBGHUKWZGY-OAHLLOKOSA-N	0	1	326.356	1.339	10	30		EDEEMN
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000249235532	442961258	/nfs/dbraw/zinc/96/12/58/442961258.db2.gz	VZPQARGMXNRGAC-GJZGRUSLSA-N	0	1	340.427	1.890	10	30		EDEEMN
C#CCOc1ccc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)cc1	ZINC000174618048	527095117	/nfs/dbraw/zinc/09/51/17/527095117.db2.gz	ZYOPZJJDPLVAOY-NVXWUHKLSA-N	0	1	330.428	1.616	10	30		EDEEMN
N#Cc1ccc(CNC(=O)c2cc(Br)cnc2NN)cc1	ZINC000051354936	214090420	/nfs/dbraw/zinc/09/04/20/214090420.db2.gz	JBFUMMVIJUHSEF-UHFFFAOYSA-N	0	1	346.188	1.931	10	30		EDEEMN
C=CCNC(=O)N1CC[C@H]2CC(=O)N(CCc3cnc[nH]3)CC[C@H]2C1	ZINC000015672887	441207570	/nfs/dbraw/zinc/20/75/70/441207570.db2.gz	YBPYWDXLBXPYAZ-GJZGRUSLSA-N	0	1	345.447	1.408	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000174738056	529055634	/nfs/dbraw/zinc/05/56/34/529055634.db2.gz	RAVKXOUNVLLZSE-QGZVFWFLSA-N	0	1	329.448	1.184	10	30		EDEEMN
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)c1	ZINC000067377486	215137829	/nfs/dbraw/zinc/13/78/29/215137829.db2.gz	LLBYJYMPDHOAKB-HNNXBMFYSA-N	0	1	331.416	1.790	10	30		EDEEMN
C[C@@H](O)CN1CCN(C(=O)Cc2cccc(OCC#N)c2)C[C@H]1C	ZINC000128619996	237193767	/nfs/dbraw/zinc/19/37/67/237193767.db2.gz	BHFFPZICGBYVEK-HUUCEWRRSA-N	0	1	331.416	1.045	10	30		EDEEMN
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN2CCC[C@H]2C1	ZINC000245782010	139086159	/nfs/dbraw/zinc/08/61/59/139086159.db2.gz	CPBMTGJPWNVULJ-ZDUSSCGKSA-N	0	1	325.821	1.680	10	30		EDEEMN
C#CCN1CCC(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CC1	ZINC000171232401	442331669	/nfs/dbraw/zinc/33/16/69/442331669.db2.gz	HORBARACZLEWGK-HNNXBMFYSA-N	0	1	330.432	1.504	10	30		EDEEMN
CCOCCN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1CC	ZINC000105837809	528748151	/nfs/dbraw/zinc/74/81/51/528748151.db2.gz	ZSKTZYKJGPXUFE-WMZOPIPTSA-N	0	1	338.496	1.474	10	30		EDEEMN
CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192738809	266143904	/nfs/dbraw/zinc/14/39/04/266143904.db2.gz	HLOIHINYTJNCGY-CQSZACIVSA-N	0	1	345.447	1.654	10	30		EDEEMN
C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000112548529	274514339	/nfs/dbraw/zinc/51/43/39/274514339.db2.gz	VKTOXHUYZAUGFC-NWDGAFQWSA-N	0	1	348.472	1.356	10	30		EDEEMN
CC(C)N1CCO[C@@H](CN2CCN(Cc3ccc(C#N)o3)CC2)C1	ZINC000121039953	442169778	/nfs/dbraw/zinc/16/97/78/442169778.db2.gz	QLIVNYQEAUWGCB-SFHVURJKSA-N	0	1	332.448	1.378	10	30		EDEEMN
CC(C)N1CCO[C@H](CN2CCN(Cc3cc(C#N)cs3)CC2)C1	ZINC000121067476	442173078	/nfs/dbraw/zinc/17/30/78/442173078.db2.gz	CFLYOQYBVCMLII-QGZVFWFLSA-N	0	1	348.516	1.847	10	30		EDEEMN
CCc1nc([C@H]2CN(C(=O)c3cccc(CC#N)c3)CCO2)n[nH]1	ZINC000173609354	529701685	/nfs/dbraw/zinc/70/16/85/529701685.db2.gz	MFSCEEFOGJXJDD-CQSZACIVSA-N	0	1	325.372	1.647	10	30		EDEEMN
CCOCCN1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C	ZINC000247134228	139137068	/nfs/dbraw/zinc/13/70/68/139137068.db2.gz	KNZNVQRFCUYNLP-AEFFLSMTSA-N	0	1	347.459	1.341	10	30		EDEEMN
C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1N1CCOCC1	ZINC000246496750	288136428	/nfs/dbraw/zinc/13/64/28/288136428.db2.gz	PRZHAIMFRYQCCA-IAGOWNOFSA-N	0	1	348.491	1.324	10	30		EDEEMN
C#Cc1cccc(NC(=O)N2CCO[C@H](c3n[nH]c(CC)n3)C2)c1	ZINC000158352767	441727925	/nfs/dbraw/zinc/72/79/25/441727925.db2.gz	HVTBXAKMZLFPBG-AWEZNQCLSA-N	0	1	325.372	1.954	10	30		EDEEMN
Cc1nc([C@H]2CN(C(=O)CSc3ccc(C#N)cc3)CCO2)n[nH]1	ZINC000173519572	441776204	/nfs/dbraw/zinc/77/62/04/441776204.db2.gz	FYYFUYQTKMZZKL-CQSZACIVSA-N	0	1	343.412	1.677	10	30		EDEEMN
C=CCSCCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000194628155	442926682	/nfs/dbraw/zinc/92/66/82/442926682.db2.gz	RJVDYUGTEVKDOO-KRWDZBQOSA-N	0	1	349.500	1.624	10	30		EDEEMN
N#Cc1ccccc1Cn1cccc1CN1CC[C@](O)(c2cn[nH]n2)C1	ZINC000583617347	448443413	/nfs/dbraw/zinc/44/34/13/448443413.db2.gz	XJVUDSWIXOVDOU-LJQANCHMSA-N	0	1	348.410	1.620	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(Cc2cnn(C)c2)CC1	ZINC000105869696	526536536	/nfs/dbraw/zinc/53/65/36/526536536.db2.gz	NPIKNXAYDDTLOL-QGZVFWFLSA-N	0	1	347.507	1.741	10	30		EDEEMN
CCOCCN1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)C[C@H]1C	ZINC000246528100	442789735	/nfs/dbraw/zinc/78/97/35/442789735.db2.gz	RUPSWBJIXWHYGR-CRAIPNDOSA-N	0	1	345.443	1.815	10	30		EDEEMN
COc1cc(CN=Nc2nn[nH]n2)c([N+](=O)[O-])cc1OCCC(C)C	ZINC000030738211	522006404	/nfs/dbraw/zinc/00/64/04/522006404.db2.gz	JDCQXLYEOGWXBY-NVNXTCNLSA-N	0	1	349.351	1.987	10	30		EDEEMN
C#CCSCCNC(=O)N1CCN(CCOCC)[C@H](CC)C1	ZINC000121476224	595015785	/nfs/dbraw/zinc/01/57/85/595015785.db2.gz	GNASLGCHGJANQR-OAHLLOKOSA-N	0	1	327.494	1.495	10	30		EDEEMN
C[C@H](C(=O)[O-])N1C(=O)c2c(cccc2OC2CC[NH+](C)CC2)[C@H]1C#N	ZINC000071682799	215795304	/nfs/dbraw/zinc/79/53/04/215795304.db2.gz	SPTSXLXSEUSQJQ-BXUZGUMPSA-N	0	1	343.383	1.653	10	30		EDEEMN
Cc1nc([C@@H]2CN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CCO2)n[nH]1	ZINC000173357548	237258953	/nfs/dbraw/zinc/25/89/53/237258953.db2.gz	WNQJKICXHZBCBP-JSGCOSHPSA-N	0	1	346.435	1.218	10	30		EDEEMN
CCOCCN1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C	ZINC000245758869	139085413	/nfs/dbraw/zinc/08/54/13/139085413.db2.gz	PEMLABKIADJCKF-OAHLLOKOSA-N	0	1	327.432	1.749	10	30		EDEEMN
COCCOC(=NC(=O)c1cccc(F)c1)NCCN1CCCC1	ZINC000004508357	440921121	/nfs/dbraw/zinc/92/11/21/440921121.db2.gz	PPZMEZKAXHYKAJ-UHFFFAOYSA-N	0	1	337.395	1.670	10	30		EDEEMN
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(c2cccnn2)CC1	ZINC000105799532	441273840	/nfs/dbraw/zinc/27/38/40/441273840.db2.gz	JVOUCXUIOTYRAZ-INIZCTEOSA-N	0	1	331.464	1.802	10	30		EDEEMN
COC(=O)[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccccc1	ZINC000033706160	441597096	/nfs/dbraw/zinc/59/70/96/441597096.db2.gz	FGZWJKJWXLBOJL-HNNXBMFYSA-N	0	1	330.365	1.751	10	30		EDEEMN
N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c(F)c1	ZINC000121342494	442205351	/nfs/dbraw/zinc/20/53/51/442205351.db2.gz	VXHJEOSWHTUBKW-ZWNOBZJWSA-N	0	1	330.356	1.666	10	30		EDEEMN
Cc1nc([C@@H]2CN(C(=O)Nc3cc(C#N)ccc3C)CCO2)n[nH]1	ZINC000177056477	442291537	/nfs/dbraw/zinc/29/15/37/442291537.db2.gz	FPKFFEZWFNSXMK-AWEZNQCLSA-N	0	1	326.360	1.899	10	30		EDEEMN